*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMN 3 2wwt_o00 INTRACELLULAR SUBTILISIN PROTEASE user 1 3 # 1 A 49 ASP A 157 ASP~? 15.53 O1 SO4 A 243 A 86 HIS A 106 HIS^? 13.08 O1 SO4 A 243 A 250 ALA A 161 ALA.? 10.57 O1 SO4 A 243 coo 18.89 -28.09 25.11 19.05 -26.61 23.60 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo 21.50 -24.76 21.11 19.82 -23.58 21.50 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo 16.40 -19.57 19.82 17.00 -20.87 19.22 19.60 -14.81 1.67 20.12 -16.10 2.33 ULMN 3 2wwt_o00 INTRACELLULAR SUBTILISIN PROTEASE user 2 3 # 2 A 49 ASP A 218 ASP~? 20.27 O4 SO4 A 243 A 86 HIS A 180 HIS^? 16.73 O4 SO4 A 243 A 250 ALA A 213 ALA^? 10.00 O4 SO4 A 243 coo 18.89 -28.09 25.11 19.05 -26.61 23.60 29.47 11.44 11.56 27.66 12.20 10.67 coo 21.50 -24.76 21.11 19.82 -23.58 21.50 23.63 8.86 13.89 25.45 9.53 13.13 coo 16.40 -19.57 19.82 17.00 -20.87 19.22 22.60 4.81 8.44 22.43 3.32 8.50 ULMN 3 2wwt_o00 INTRACELLULAR SUBTILISIN PROTEASE user 3 3 # 3 A 49 ASP B 157 ASP~? 15.61 O3 SO4 B 243 A 86 HIS B 106 HIS^? 13.01 O3 SO4 B 243 A 250 ALA B 161 ALA.? 10.66 O3 SO4 B 243 coo 18.89 -28.09 25.11 19.05 -26.61 23.60 -12.32 32.41 21.01 -13.75 33.02 22.44 coo 21.50 -24.76 21.11 19.82 -23.58 21.50 -11.40 33.04 16.07 -11.74 35.05 16.56 coo 16.40 -19.57 19.82 17.00 -20.87 19.22 -5.41 37.41 16.11 -5.31 38.82 16.75 ULMN 3 2wwt_o00 INTRACELLULAR SUBTILISIN PROTEASE user 4 3 # 4 A 49 ASP B 218 ASP~? 20.31 O1 SO4 B 243 A 86 HIS B 180 HIS^? 17.04 O1 SO4 B 243 A 250 ALA B 213 ALA^? 9.77 O1 SO4 B 243 coo 18.89 -28.09 25.11 19.05 -26.61 23.60 -1.00 11.19 29.58 -0.84 10.48 27.56 coo 21.50 -24.76 21.11 19.82 -23.58 21.50 3.74 13.87 25.77 2.21 13.26 27.09 coo 16.40 -19.57 19.82 17.00 -20.87 19.22 -0.45 17.94 22.18 -0.36 19.49 22.01 2wwt_o00 source 2WWT INTRACELLULAR SUBTILISIN PROTEASE : 4 hits 2wwt_o00 naa= 3 ULMN 3 3o4g_o00 ACYLAMINO-ACID-RELEASING ENZYME user 1 3 # 1 A 445 SER A 105 SER^? 14.75 O1 SO4 A 243 A 524 ASP A 157 ASP~? 15.53 O1 SO4 A 243 A 556 HIS A 106 HIS^? 13.08 O1 SO4 A 243 coo 12.47 10.19 -6.98 12.48 12.40 -7.89 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo 3.92 10.81 -9.94 5.89 11.57 -9.70 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo 7.59 13.76 -7.91 9.53 12.97 -7.82 22.50 -10.50 -3.88 23.13 -12.51 -3.91 ULMN 3 3o4g_o00 ACYLAMINO-ACID-RELEASING ENZYME user 2 3 # 2 A 445 SER B 105 SER^? 14.66 O3 SO4 B 243 A 524 ASP B 157 ASP~? 15.61 O3 SO4 B 243 A 556 HIS B 106 HIS^? 13.01 O3 SO4 B 243 coo 12.47 10.19 -6.98 12.48 12.40 -7.89 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 3.92 10.81 -9.94 5.89 11.57 -9.70 -12.32 32.41 21.01 -13.75 33.02 22.44 coo 7.59 13.76 -7.91 9.53 12.97 -7.82 -11.40 33.04 16.07 -11.74 35.05 16.56 3o4g_o00 source 3O4G ACYLAMINO-ACID-RELEASING ENZYME : 2 hits 3o4g_o00 naa= 3 ULMN 3 3qwd_o00 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 # 1 A 98 SER A 105 SER^? 14.75 O1 SO4 A 243 A 123 HIS A 106 HIS^? 13.08 O1 SO4 A 243 A 172 ASP A 157 ASP~? 15.53 O1 SO4 A 243 coo 45.74 29.80 42.79 47.58 31.06 41.64 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo 44.17 25.61 37.60 45.21 25.56 35.81 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo 39.85 24.35 34.94 41.12 25.58 33.83 27.16 -9.86 -2.28 29.16 -10.33 -2.80 ULMN 3 3qwd_o00 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 2 3 # 2 A 98 SER B 105 SER^? 14.66 O3 SO4 B 243 A 123 HIS B 102 HIS^? 13.40 O3 SO4 B 243 A 172 ASP B 162 ASP.? 11.47 O3 SO4 B 243 coo 45.74 29.80 42.79 47.58 31.06 41.64 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 44.17 25.61 37.60 45.21 25.56 35.81 -4.13 35.26 6.99 -5.90 36.34 6.69 coo 39.85 24.35 34.94 41.12 25.58 33.83 -2.91 38.69 12.19 -3.85 37.85 10.43 ULMN 3 3qwd_o00 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 3 3 # 3 A 98 SER B 105 SER^? 14.66 O3 SO4 B 243 A 123 HIS B 106 HIS^? 13.01 O3 SO4 B 243 A 172 ASP B 157 ASP~? 15.61 O3 SO4 B 243 coo 45.74 29.80 42.79 47.58 31.06 41.64 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 44.17 25.61 37.60 45.21 25.56 35.81 -11.40 33.04 16.07 -11.74 35.05 16.56 coo 39.85 24.35 34.94 41.12 25.58 33.83 -12.32 32.41 21.01 -13.75 33.02 22.44 ULMN 3 3qwd_o00 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 4 3 # 4 A 98 SER B 239 SER.? 13.78 O3 SO4 A 243 A 123 HIS A 180 HIS^? 16.73 O4 SO4 A 243 A 172 ASP A 218 ASP~? 20.27 O4 SO4 A 243 coo 45.74 29.80 42.79 47.58 31.06 41.64 16.84 9.01 14.32 16.23 6.75 15.02 coo 44.17 25.61 37.60 45.21 25.56 35.81 23.63 8.86 13.89 25.45 9.53 13.13 coo 39.85 24.35 34.94 41.12 25.58 33.83 29.47 11.44 11.56 27.66 12.20 10.67 3qwd_o00 source 3QWD ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT: 4 hits 3qwd_o00 naa= 3 ULMN 4 1am5_c05 PEPSIN user 1 4 # 1 32 ASP A 199 ASP~? 23.37 O3 SO4 A 243 35 SER A 195 SER~? 24.26 O3 SO4 A 243 75 TYR A 197 TYR~? 17.30 O1 SO4 A 243 215 ASP A 201 ASP.? 28.67 O3 SO4 A 243 coo -7.18 8.92 145.10 -8.77 8.81 143.59 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 coo -12.30 10.35 145.24 -10.75 8.55 145.88 4.31 -1.23 -10.07 4.20 -1.50 -12.49 coo -13.30 2.78 144.49 -12.77 1.96 147.02 9.27 -5.67 -7.32 11.22 -6.86 -8.96 coo -8.20 12.64 138.30 -8.86 10.97 139.38 -1.72 1.66 -11.39 -3.36 0.47 -11.68 ULMN 4 1am5_c05 PEPSIN user 2 4 # 2 32 ASP B 199 ASP~? 23.68 O1 SO4 B 243 35 SER B 195 SER~? 24.29 O1 SO4 B 243 75 TYR B 197 TYR~? 17.25 O3 SO4 B 243 215 ASP B 201 ASP.? 28.94 O1 SO4 B 243 coo -7.18 8.92 145.10 -8.77 8.81 143.59 -3.04 28.39 -4.12 -2.88 29.28 -6.05 coo -12.30 10.35 145.24 -10.75 8.55 145.88 -8.00 23.84 -2.71 -9.97 24.14 -3.95 coo -13.30 2.78 144.49 -12.77 1.96 147.02 -8.04 28.46 2.86 -10.26 29.82 3.98 coo -8.20 12.64 138.30 -8.86 10.97 139.38 -6.53 20.97 -8.85 -5.67 22.23 -10.32 1am5_c05 source 1am5 PEPSIN : 2 hits 1am5_c05 naa= 4 ULMN 4 1aq0_c00 1,3-1,4-BETA-GLUCANASE user 1 4 # 1 A 232 GLU A 208 GLU^? 18.11 O3 SO4 A 243 A 280 GLU A 144 GLU^? 5.14 O3 SO4 A 243 A 283 LYS A 131 LYS^? 17.03 O1 SO4 A 243 A 288 GLU A 129 GLU^? 16.53 O1 SO4 A 243 coo 5.76 85.47 37.35 6.76 85.56 39.24 11.78 7.44 -1.74 12.80 8.58 -3.28 coo 4.25 95.66 42.75 4.18 93.57 42.69 15.10 -1.99 1.69 15.82 -3.30 3.21 coo 9.66 95.18 46.95 8.19 90.97 44.00 16.33 -5.43 -3.31 16.51 -3.10 -9.13 coo 13.49 92.75 43.16 12.39 91.15 42.33 20.62 -2.18 -6.03 20.44 -1.20 -7.86 ULMN 4 1aq0_c00 1,3-1,4-BETA-GLUCANASE user 2 4 # 2 A 232 GLU A 208 GLU^? 18.11 O3 SO4 A 243 A 280 GLU A 193 GLU~? 18.22 O3 SO4 A 243 A 283 LYS A 131 LYS^? 17.03 O1 SO4 A 243 A 288 GLU A 129 GLU^? 16.53 O1 SO4 A 243 coo 5.76 85.47 37.35 6.76 85.56 39.24 11.78 7.44 -1.74 12.80 8.58 -3.28 coo 4.25 95.66 42.75 4.18 93.57 42.69 11.64 -2.46 -10.15 13.74 -2.34 -9.81 coo 9.66 95.18 46.95 8.19 90.97 44.00 16.33 -5.43 -3.31 16.51 -3.10 -9.13 coo 13.49 92.75 43.16 12.39 91.15 42.33 20.62 -2.18 -6.03 20.44 -1.20 -7.86 ULMN 4 1aq0_c00 1,3-1,4-BETA-GLUCANASE user 3 4 # 3 A 232 GLU B 208 GLU^? 18.08 O1 SO4 B 243 A 280 GLU B 144 GLU^? 5.26 O1 SO4 B 243 A 283 LYS B 131 LYS^? 17.11 O1 SO4 B 243 A 288 GLU B 129 GLU^? 16.54 O1 SO4 B 243 coo 5.76 85.47 37.35 6.76 85.56 39.24 -4.22 15.23 7.76 -6.03 14.17 7.93 coo 4.25 95.66 42.75 4.18 93.57 42.69 -2.94 24.68 12.26 -2.09 26.04 13.69 coo 9.66 95.18 46.95 8.19 90.97 44.00 -7.93 28.07 10.94 -13.10 25.67 8.39 coo 13.49 92.75 43.16 12.39 91.15 42.33 -12.39 24.89 13.45 -13.91 23.80 12.41 1aq0_c00 source 1aq0 1,3-1,4-BETA-GLUCANASE : 3 hits 1aq0_c00 naa= 4 ULMN 4 1aq0_c01 1,3-1,4-BETA-GLUCANASE user 1 4 # 1 B 232 GLU A 208 GLU^? 18.11 O3 SO4 A 243 B 280 GLU A 144 GLU^? 5.14 O3 SO4 A 243 B 283 LYS A 131 LYS^? 17.03 O1 SO4 A 243 B 288 GLU A 129 GLU^? 16.53 O1 SO4 A 243 coo -0.96 61.87 2.24 -2.27 63.48 2.70 11.78 7.44 -1.74 12.80 8.58 -3.28 coo -4.32 67.50 -7.41 -4.63 66.46 -5.59 15.10 -1.99 1.69 15.82 -3.30 3.21 coo -6.22 73.35 -4.20 -4.99 69.00 -1.28 16.33 -5.43 -3.31 16.51 -3.10 -9.13 coo -1.91 73.68 -0.16 -1.91 71.74 0.71 20.62 -2.18 -6.03 20.44 -1.20 -7.86 ULMN 4 1aq0_c01 1,3-1,4-BETA-GLUCANASE user 2 4 # 2 B 232 GLU A 208 GLU^? 18.11 O3 SO4 A 243 B 280 GLU A 193 GLU~? 18.22 O3 SO4 A 243 B 283 LYS A 131 LYS^? 17.03 O1 SO4 A 243 B 288 GLU A 129 GLU^? 16.53 O1 SO4 A 243 coo -0.96 61.87 2.24 -2.27 63.48 2.70 11.78 7.44 -1.74 12.80 8.58 -3.28 coo -4.32 67.50 -7.41 -4.63 66.46 -5.59 11.64 -2.46 -10.15 13.74 -2.34 -9.81 coo -6.22 73.35 -4.20 -4.99 69.00 -1.28 16.33 -5.43 -3.31 16.51 -3.10 -9.13 coo -1.91 73.68 -0.16 -1.91 71.74 0.71 20.62 -2.18 -6.03 20.44 -1.20 -7.86 ULMN 4 1aq0_c01 1,3-1,4-BETA-GLUCANASE user 3 4 # 3 B 232 GLU B 208 GLU^? 18.08 O1 SO4 B 243 B 280 GLU B 144 GLU^? 5.26 O1 SO4 B 243 B 283 LYS B 131 LYS^? 17.11 O1 SO4 B 243 B 288 GLU B 129 GLU^? 16.54 O1 SO4 B 243 coo -0.96 61.87 2.24 -2.27 63.48 2.70 -4.22 15.23 7.76 -6.03 14.17 7.93 coo -4.32 67.50 -7.41 -4.63 66.46 -5.59 -2.94 24.68 12.26 -2.09 26.04 13.69 coo -6.22 73.35 -4.20 -4.99 69.00 -1.28 -7.93 28.07 10.94 -13.10 25.67 8.39 coo -1.91 73.68 -0.16 -1.91 71.74 0.71 -12.39 24.89 13.45 -13.91 23.80 12.41 1aq0_c01 source 1aq0 1,3-1,4-BETA-GLUCANASE : 3 hits 1aq0_c01 naa= 4 ULMN 4 1ddj_c00 PLASMINOGEN user 1 4 # 1 A 603 HIS A 106 HIS^? 13.08 O1 SO4 A 243 A 646 ASP A 157 ASP~? 15.53 O1 SO4 A 243 A 739 GLY A 163 GLY.? 7.75 O1 SO4 A 243 A 741 ALA A 161 ALA.? 10.57 O1 SO4 A 243 coo 17.92 60.45 -3.51 16.63 61.88 -2.68 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo 18.60 56.26 -8.31 18.53 57.26 -6.47 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo 11.37 50.89 2.29 11.05 51.63 2.25 15.39 -14.35 6.30 16.02 -13.97 5.93 coo 15.76 55.12 -0.44 16.10 56.60 -0.54 19.60 -14.81 1.67 20.12 -16.10 2.33 ULMN 4 1ddj_c00 PLASMINOGEN user 2 4 # 2 A 603 HIS B 106 HIS^? 13.01 O3 SO4 B 243 A 646 ASP B 157 ASP~? 15.61 O3 SO4 B 243 A 739 GLY B 163 GLY.? 7.63 O3 SO4 B 243 A 741 ALA B 161 ALA.? 10.66 O3 SO4 B 243 coo 17.92 60.45 -3.51 16.63 61.88 -2.68 -11.40 33.04 16.07 -11.74 35.05 16.56 coo 18.60 56.26 -8.31 18.53 57.26 -6.47 -12.32 32.41 21.01 -13.75 33.02 22.44 coo 11.37 50.89 2.29 11.05 51.63 2.25 0.69 37.21 14.78 0.08 36.90 15.18 coo 15.76 55.12 -0.44 16.10 56.60 -0.54 -5.41 37.41 16.11 -5.31 38.82 16.75 1ddj_c00 source 1ddj PLASMINOGEN : 2 hits 1ddj_c00 naa= 4 ULMN 4 1ddj_c01 PLASMINOGEN user 1 4 # 1 B 603 HIS A 106 HIS^? 13.08 O1 SO4 A 243 B 646 ASP A 157 ASP~? 15.53 O1 SO4 A 243 B 739 GLY A 163 GLY.? 7.75 O1 SO4 A 243 B 741 ALA A 161 ALA.? 10.57 O1 SO4 A 243 coo -28.76 37.11 -20.75 -29.48 38.32 -19.19 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo -23.42 34.83 -23.78 -25.09 36.03 -23.31 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo -24.60 49.24 -23.60 -24.80 48.99 -22.86 15.39 -14.35 6.30 16.02 -13.97 5.93 coo -27.00 42.91 -23.45 -27.89 42.02 -22.58 19.60 -14.81 1.67 20.12 -16.10 2.33 ULMN 4 1ddj_c01 PLASMINOGEN user 2 4 # 2 B 603 HIS B 106 HIS^? 13.01 O3 SO4 B 243 B 646 ASP B 157 ASP~? 15.61 O3 SO4 B 243 B 739 GLY B 163 GLY.? 7.63 O3 SO4 B 243 B 741 ALA B 161 ALA.? 10.66 O3 SO4 B 243 coo -28.76 37.11 -20.75 -29.48 38.32 -19.19 -11.40 33.04 16.07 -11.74 35.05 16.56 coo -23.42 34.83 -23.78 -25.09 36.03 -23.31 -12.32 32.41 21.01 -13.75 33.02 22.44 coo -24.60 49.24 -23.60 -24.80 48.99 -22.86 0.69 37.21 14.78 0.08 36.90 15.18 coo -27.00 42.91 -23.45 -27.89 42.02 -22.58 -5.41 37.41 16.11 -5.31 38.82 16.75 1ddj_c01 source 1ddj PLASMINOGEN : 2 hits 1ddj_c01 naa= 4 ULMN 4 1ddj_c02 PLASMINOGEN user 1 4 # 1 C 603 HIS A 106 HIS^? 13.08 O1 SO4 A 243 C 646 ASP A 157 ASP~? 15.53 O1 SO4 A 243 C 739 GLY A 163 GLY.? 7.75 O1 SO4 A 243 C 741 ALA A 161 ALA.? 10.57 O1 SO4 A 243 coo 15.33 59.81 59.60 13.98 60.99 60.69 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo 16.06 55.72 54.73 15.97 56.49 56.70 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo 9.38 49.29 65.28 9.01 50.03 65.31 15.39 -14.35 6.30 16.02 -13.97 5.93 coo 13.55 54.01 62.74 13.86 55.50 62.79 19.60 -14.81 1.67 20.12 -16.10 2.33 ULMN 4 1ddj_c02 PLASMINOGEN user 2 4 # 2 C 603 HIS B 106 HIS^? 13.01 O3 SO4 B 243 C 646 ASP B 157 ASP~? 15.61 O3 SO4 B 243 C 739 GLY B 163 GLY.? 7.63 O3 SO4 B 243 C 741 ALA B 161 ALA.? 10.66 O3 SO4 B 243 coo 15.33 59.81 59.60 13.98 60.99 60.69 -11.40 33.04 16.07 -11.74 35.05 16.56 coo 16.06 55.72 54.73 15.97 56.49 56.70 -12.32 32.41 21.01 -13.75 33.02 22.44 coo 9.38 49.29 65.28 9.01 50.03 65.31 0.69 37.21 14.78 0.08 36.90 15.18 coo 13.55 54.01 62.74 13.86 55.50 62.79 -5.41 37.41 16.11 -5.31 38.82 16.75 1ddj_c02 source 1ddj PLASMINOGEN : 2 hits 1ddj_c02 naa= 4 ULMN 4 1ddj_c03 PLASMINOGEN user 1 4 # 1 D 603 HIS A 106 HIS^? 13.08 O1 SO4 A 243 D 646 ASP A 157 ASP~? 15.53 O1 SO4 A 243 D 739 GLY A 163 GLY.? 7.75 O1 SO4 A 243 D 741 ALA A 161 ALA.? 10.57 O1 SO4 A 243 coo -30.51 33.83 43.05 -30.50 33.12 45.03 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo -25.73 33.05 39.28 -27.50 34.05 39.88 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo -27.66 47.32 40.66 -27.81 47.01 41.41 15.39 -14.35 6.30 16.02 -13.97 5.93 coo -29.58 40.72 40.37 -30.29 39.69 41.25 19.60 -14.81 1.67 20.12 -16.10 2.33 ULMN 4 1ddj_c03 PLASMINOGEN user 2 4 # 2 D 603 HIS B 106 HIS^? 13.01 O3 SO4 B 243 D 646 ASP B 157 ASP~? 15.61 O3 SO4 B 243 D 739 GLY B 163 GLY.? 7.63 O3 SO4 B 243 D 741 ALA B 161 ALA.? 10.66 O3 SO4 B 243 coo -30.51 33.83 43.05 -30.50 33.12 45.03 -11.40 33.04 16.07 -11.74 35.05 16.56 coo -25.73 33.05 39.28 -27.50 34.05 39.88 -12.32 32.41 21.01 -13.75 33.02 22.44 coo -27.66 47.32 40.66 -27.81 47.01 41.41 0.69 37.21 14.78 0.08 36.90 15.18 coo -29.58 40.72 40.37 -30.29 39.69 41.25 -5.41 37.41 16.11 -5.31 38.82 16.75 1ddj_c03 source 1ddj PLASMINOGEN : 2 hits 1ddj_c03 naa= 4 ULMN 4 1dnk_c00 DNA (5'-D(*GP*GP*TP*AP*TP*AP*C)-3') user 1 4 # 1 A 78 GLU A 144 GLU^? 5.14 O3 SO4 A 243 A 134 HIS A 101 HIS.? 5.49 O3 SO4 A 243 A 212 ASP A 162 ASP.? 11.51 O1 SO4 A 243 A 252 HIS A 102 HIS^? 13.43 O1 SO4 A 243 coo -14.14 41.26 -17.08 -15.94 40.74 -16.28 15.10 -1.99 1.69 15.82 -3.30 3.21 coo -19.39 38.52 -15.93 -19.35 39.89 -14.38 12.44 -8.38 4.91 13.10 -6.40 5.14 coo -23.92 32.04 -10.64 -22.67 33.68 -10.21 14.78 -15.75 1.96 14.18 -15.13 0.01 coo -20.50 36.14 -8.06 -21.57 37.72 -8.96 10.89 -12.56 -1.72 11.39 -13.56 -3.50 ULMN 4 1dnk_c00 DNA (5'-D(*GP*GP*TP*AP*TP*AP*C)-3') user 2 4 # 2 A 78 GLU B 144 GLU^? 5.26 O1 SO4 B 243 A 134 HIS B 101 HIS.? 5.53 O4 SO4 B 243 A 212 ASP B 162 ASP.? 11.47 O3 SO4 B 243 A 252 HIS B 102 HIS^? 13.40 O3 SO4 B 243 coo -14.14 41.26 -17.08 -15.94 40.74 -16.28 -2.94 24.68 12.26 -2.09 26.04 13.69 coo -19.39 38.52 -15.93 -19.35 39.89 -14.38 1.10 31.39 11.62 1.04 29.37 12.19 coo -23.92 32.04 -10.64 -22.67 33.68 -10.21 -2.91 38.69 12.19 -3.85 37.85 10.43 coo -20.50 36.14 -8.06 -21.57 37.72 -8.96 -4.13 35.26 6.99 -5.90 36.34 6.69 1dnk_c00 source 1dnk DNA (5'-D(*GP*GP*TP*AP*TP*AP*C)-3') : 2 hits 1dnk_c00 naa= 4 ULMN 4 1ghs_c00 1,3-BETA-GLUCANASE (E.C.3.2.1.39) (1user 1 4 # 1 A 231 GLU A 208 GLU^? 18.11 O3 SO4 A 243 A 279 GLU A 144 GLU^? 5.14 O3 SO4 A 243 A 282 LYS A 131 LYS^? 17.03 O1 SO4 A 243 A 288 GLU A 129 GLU^? 16.53 O1 SO4 A 243 coo 56.45 0.46 86.18 56.87 -0.85 87.80 11.78 7.44 -1.74 12.80 8.58 -3.28 coo 47.04 -1.91 92.33 48.79 -2.81 91.49 15.10 -1.99 1.69 15.82 -3.30 3.21 coo 49.98 -4.05 98.00 52.40 -3.58 93.17 16.33 -5.43 -3.31 16.51 -3.10 -9.13 coo 54.40 -0.12 97.85 55.58 0.51 96.24 20.62 -2.18 -6.03 20.44 -1.20 -7.86 ULMN 4 1ghs_c00 1,3-BETA-GLUCANASE (E.C.3.2.1.39) (1user 2 4 # 2 A 231 GLU B 208 GLU^? 18.08 O1 SO4 B 243 A 279 GLU B 144 GLU^? 5.26 O1 SO4 B 243 A 282 LYS B 131 LYS^? 17.11 O1 SO4 B 243 A 288 GLU B 129 GLU^? 16.54 O1 SO4 B 243 coo 56.45 0.46 86.18 56.87 -0.85 87.80 -4.22 15.23 7.76 -6.03 14.17 7.93 coo 47.04 -1.91 92.33 48.79 -2.81 91.49 -2.94 24.68 12.26 -2.09 26.04 13.69 coo 49.98 -4.05 98.00 52.40 -3.58 93.17 -7.93 28.07 10.94 -13.10 25.67 8.39 coo 54.40 -0.12 97.85 55.58 0.51 96.24 -12.39 24.89 13.45 -13.91 23.80 12.41 1ghs_c00 source 1ghs 1,3-BETA-GLUCANASE (E.C.3.2.1.39) (1,3-BETA-D-: 2 hits 1ghs_c00 naa= 4 ULMN 4 1ghs_c01 1,3-BETA-GLUCANASE (E.C.3.2.1.39) (1user 1 4 # 1 B 231 GLU A 208 GLU^? 18.11 O3 SO4 A 243 B 279 GLU A 144 GLU^? 5.14 O3 SO4 A 243 B 282 LYS A 131 LYS^? 17.03 O1 SO4 A 243 B 288 GLU A 129 GLU^? 16.53 O1 SO4 A 243 coo 47.83 -0.67 47.15 49.17 -0.90 48.81 11.78 7.44 -1.74 12.80 8.58 -3.28 coo 44.68 -9.78 53.79 46.22 -8.74 52.81 15.10 -1.99 1.69 15.82 -3.30 3.21 coo 47.92 -7.86 59.48 48.51 -6.22 53.96 16.33 -5.43 -3.31 16.51 -3.10 -9.13 coo 47.02 -1.91 59.02 47.41 -1.07 57.09 20.62 -2.18 -6.03 20.44 -1.20 -7.86 ULMN 4 1ghs_c01 1,3-BETA-GLUCANASE (E.C.3.2.1.39) (1user 2 4 # 2 B 231 GLU B 208 GLU^? 18.08 O1 SO4 B 243 B 279 GLU B 144 GLU^? 5.26 O1 SO4 B 243 B 282 LYS B 131 LYS^? 17.11 O1 SO4 B 243 B 288 GLU B 129 GLU^? 16.54 O1 SO4 B 243 coo 47.83 -0.67 47.15 49.17 -0.90 48.81 -4.22 15.23 7.76 -6.03 14.17 7.93 coo 44.68 -9.78 53.79 46.22 -8.74 52.81 -2.94 24.68 12.26 -2.09 26.04 13.69 coo 47.92 -7.86 59.48 48.51 -6.22 53.96 -7.93 28.07 10.94 -13.10 25.67 8.39 coo 47.02 -1.91 59.02 47.41 -1.07 57.09 -12.39 24.89 13.45 -13.91 23.80 12.41 1ghs_c01 source 1ghs 1,3-BETA-GLUCANASE (E.C.3.2.1.39) (1,3-BETA-D-: 2 hits 1ghs_c01 naa= 4 ULMN 4 1jxa_c01 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 1 4 # 1 A 481 GLU A 129 GLU^? 16.53 O1 SO4 A 243 A 485 LYS A 131 LYS^? 17.03 O1 SO4 A 243 A 488 GLU A 144 GLU^? 5.14 O3 SO4 A 243 A 603 LYS A 211 LYS^? 6.62 O3 SO4 A 243 coo -7.79 3.39 10.29 -9.01 4.74 9.32 20.62 -2.18 -6.03 20.44 -1.20 -7.86 coo -9.44 10.08 8.58 -11.94 6.98 8.10 16.33 -5.43 -3.31 16.51 -3.10 -9.13 coo -13.30 11.40 4.76 -13.95 9.40 5.16 15.10 -1.99 1.69 15.82 -3.30 3.21 coo -21.26 6.97 3.81 -20.43 4.23 9.21 17.59 6.59 4.81 17.28 1.50 8.69 ULMN 4 1jxa_c01 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 2 4 # 2 A 481 GLU B 129 GLU^? 16.54 O1 SO4 B 243 A 485 LYS B 131 LYS^? 17.11 O1 SO4 B 243 A 488 GLU B 144 GLU^? 5.26 O1 SO4 B 243 A 603 LYS B 211 LYS^? 7.04 O1 SO4 B 243 coo -7.79 3.39 10.29 -9.01 4.74 9.32 -12.39 24.89 13.45 -13.91 23.80 12.41 coo -9.44 10.08 8.58 -11.94 6.98 8.10 -7.93 28.07 10.94 -13.10 25.67 8.39 coo -13.30 11.40 4.76 -13.95 9.40 5.16 -2.94 24.68 12.26 -2.09 26.04 13.69 coo -21.26 6.97 3.81 -20.43 4.23 9.21 -1.16 16.10 16.00 2.65 20.89 17.79 1jxa_c01 source 1jxa GLUCOSAMINE 6-PHOSPHATE SYNTHASE : 2 hits 1jxa_c01 naa= 4 ULMN 4 1kez_c01 ERYTHRONOLIDE SYNTHASE user 1 4 # 1 B 142 SER A 195 SER~? 24.26 O3 SO4 A 243 B 143 ALA A 190 ALA.? 22.76 O3 SO4 A 243 B 169 ASP A 201 ASP.? 28.67 O3 SO4 A 243 B 259 HIS A 229 HIS^? 22.39 O3 SO4 A 243 coo -22.50 44.77 16.45 -24.28 43.38 17.37 4.31 -1.23 -10.07 4.20 -1.50 -12.49 coo -24.61 43.93 13.40 -25.95 43.19 13.46 5.58 4.36 -9.42 4.38 3.38 -9.16 coo -16.98 43.09 16.07 -15.37 42.66 17.38 -1.72 1.66 -11.39 -3.36 0.47 -11.68 coo -20.12 38.81 19.97 -21.75 39.57 18.89 -0.05 2.05 -3.08 -1.62 2.78 -4.27 1kez_c01 source 1kez ERYTHRONOLIDE SYNTHASE : 1 hits 1kez_c01 naa= 4 ULMN 4 1moq_c00 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 1 4 # 1 481 GLU A 129 GLU^? 16.53 O1 SO4 A 243 485 LYS A 131 LYS^? 17.03 O1 SO4 A 243 488 GLU A 144 GLU^? 5.14 O3 SO4 A 243 603 LYS A 211 LYS^? 6.62 O3 SO4 A 243 coo 24.49 18.95 6.71 25.16 18.17 4.85 20.62 -2.18 -6.03 20.44 -1.20 -7.86 coo 21.77 13.74 4.55 26.03 15.07 4.05 16.33 -5.43 -3.31 16.51 -3.10 -9.13 coo 22.93 13.34 0.22 24.67 14.21 1.12 15.10 -1.99 1.69 15.82 -3.30 3.21 coo 31.74 12.46 -4.74 33.15 13.34 0.17 17.59 6.59 4.81 17.28 1.50 8.69 ULMN 4 1moq_c00 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 2 4 # 2 481 GLU B 129 GLU^? 16.54 O1 SO4 B 243 485 LYS B 131 LYS^? 17.11 O1 SO4 B 243 488 GLU B 144 GLU^? 5.26 O1 SO4 B 243 603 LYS B 211 LYS^? 7.04 O1 SO4 B 243 coo 24.49 18.95 6.71 25.16 18.17 4.85 -12.39 24.89 13.45 -13.91 23.80 12.41 coo 21.77 13.74 4.55 26.03 15.07 4.05 -7.93 28.07 10.94 -13.10 25.67 8.39 coo 22.93 13.34 0.22 24.67 14.21 1.12 -2.94 24.68 12.26 -2.09 26.04 13.69 coo 31.74 12.46 -4.74 33.15 13.34 0.17 -1.16 16.10 16.00 2.65 20.89 17.79 1moq_c00 source 1moq GLUCOSAMINE 6-PHOSPHATE SYNTHASE : 2 hits 1moq_c00 naa= 4 ULMN 4 1qq5_c02 L-2-HALOACID DEHALOGENASE user 1 4 # 1 A 8 ASP A 201 ASP.? 28.67 O3 SO4 A 243 A 39 ARG A 232 ARG.? 20.27 O3 SO4 A 243 A 114 SER A 195 SER~? 24.26 O3 SO4 A 243 A 176 ASP A 204 ASP.? 25.99 O3 SO4 A 243 coo 11.74 10.89 36.46 11.22 9.07 35.52 -1.72 1.66 -11.39 -3.36 0.47 -11.68 coo 9.95 2.30 29.39 10.16 4.06 31.89 -0.55 -1.37 -0.24 0.04 -2.25 -3.11 coo 14.04 6.15 40.29 15.11 4.90 38.49 4.31 -1.23 -10.07 4.20 -1.50 -12.49 coo 6.71 9.84 37.08 8.21 10.00 38.54 0.25 4.29 -7.71 -1.48 3.39 -8.50 ULMN 4 1qq5_c02 L-2-HALOACID DEHALOGENASE user 2 4 # 2 A 8 ASP A 204 ASP.? 25.99 O3 SO4 A 243 A 39 ARG A 232 ARG.? 20.27 O3 SO4 A 243 A 114 SER A 195 SER~? 24.26 O3 SO4 A 243 A 176 ASP A 201 ASP.? 28.67 O3 SO4 A 243 coo 11.74 10.89 36.46 11.22 9.07 35.52 0.25 4.29 -7.71 -1.48 3.39 -8.50 coo 9.95 2.30 29.39 10.16 4.06 31.89 -0.55 -1.37 -0.24 0.04 -2.25 -3.11 coo 14.04 6.15 40.29 15.11 4.90 38.49 4.31 -1.23 -10.07 4.20 -1.50 -12.49 coo 6.71 9.84 37.08 8.21 10.00 38.54 -1.72 1.66 -11.39 -3.36 0.47 -11.68 ULMN 4 1qq5_c02 L-2-HALOACID DEHALOGENASE user 3 4 # 3 A 8 ASP B 201 ASP.? 28.94 O1 SO4 B 243 A 39 ARG B 232 ARG.? 20.69 O1 SO4 B 243 A 114 SER B 195 SER~? 24.29 O1 SO4 B 243 A 176 ASP B 204 ASP.? 26.31 O1 SO4 B 243 coo 11.74 10.89 36.46 11.22 9.07 35.52 -6.53 20.97 -8.85 -5.67 22.23 -10.32 coo 9.95 2.30 29.39 10.16 4.06 31.89 2.95 23.97 -2.41 0.09 24.88 -3.25 coo 14.04 6.15 40.29 15.11 4.90 38.49 -8.00 23.84 -2.71 -9.97 24.14 -3.95 coo 6.71 9.84 37.08 8.21 10.00 38.54 -4.03 18.39 -5.24 -3.87 19.29 -7.14 ULMN 4 1qq5_c02 L-2-HALOACID DEHALOGENASE user 4 4 # 4 A 8 ASP B 204 ASP.? 26.31 O1 SO4 B 243 A 39 ARG B 232 ARG.? 20.69 O1 SO4 B 243 A 114 SER B 195 SER~? 24.29 O1 SO4 B 243 A 176 ASP B 201 ASP.? 28.94 O1 SO4 B 243 coo 11.74 10.89 36.46 11.22 9.07 35.52 -4.03 18.39 -5.24 -3.87 19.29 -7.14 coo 9.95 2.30 29.39 10.16 4.06 31.89 2.95 23.97 -2.41 0.09 24.88 -3.25 coo 14.04 6.15 40.29 15.11 4.90 38.49 -8.00 23.84 -2.71 -9.97 24.14 -3.95 coo 6.71 9.84 37.08 8.21 10.00 38.54 -6.53 20.97 -8.85 -5.67 22.23 -10.32 1qq5_c02 source 1qq5 L-2-HALOACID DEHALOGENASE : 4 hits 1qq5_c02 naa= 4 ULMN 4 1qq5_c03 L-2-HALOACID DEHALOGENASE user 1 4 # 1 B 8 ASP A 201 ASP.? 28.67 O3 SO4 A 243 B 39 ARG A 232 ARG.? 20.27 O3 SO4 A 243 B 114 SER A 195 SER~? 24.26 O3 SO4 A 243 B 176 ASP A 204 ASP.? 25.99 O3 SO4 A 243 coo -12.56 -11.18 35.50 -11.97 -9.35 34.62 -1.72 1.66 -11.39 -3.36 0.47 -11.68 coo -10.21 -2.50 28.59 -10.64 -4.26 31.07 -0.55 -1.37 -0.24 0.04 -2.25 -3.11 coo -15.18 -6.47 39.05 -16.09 -5.31 37.09 4.31 -1.23 -10.07 4.20 -1.50 -12.49 coo -7.57 -10.16 36.43 -9.20 -10.33 37.73 0.25 4.29 -7.71 -1.48 3.39 -8.50 ULMN 4 1qq5_c03 L-2-HALOACID DEHALOGENASE user 2 4 # 2 B 8 ASP B 201 ASP.? 28.94 O1 SO4 B 243 B 39 ARG B 232 ARG.? 20.69 O1 SO4 B 243 B 114 SER B 195 SER~? 24.29 O1 SO4 B 243 B 176 ASP B 204 ASP.? 26.31 O1 SO4 B 243 coo -12.56 -11.18 35.50 -11.97 -9.35 34.62 -6.53 20.97 -8.85 -5.67 22.23 -10.32 coo -10.21 -2.50 28.59 -10.64 -4.26 31.07 2.95 23.97 -2.41 0.09 24.88 -3.25 coo -15.18 -6.47 39.05 -16.09 -5.31 37.09 -8.00 23.84 -2.71 -9.97 24.14 -3.95 coo -7.57 -10.16 36.43 -9.20 -10.33 37.73 -4.03 18.39 -5.24 -3.87 19.29 -7.14 ULMN 4 1qq5_c03 L-2-HALOACID DEHALOGENASE user 3 4 # 3 B 8 ASP B 204 ASP.? 26.31 O1 SO4 B 243 B 39 ARG B 232 ARG.? 20.69 O1 SO4 B 243 B 114 SER B 195 SER~? 24.29 O1 SO4 B 243 B 176 ASP B 201 ASP.? 28.94 O1 SO4 B 243 coo -12.56 -11.18 35.50 -11.97 -9.35 34.62 -4.03 18.39 -5.24 -3.87 19.29 -7.14 coo -10.21 -2.50 28.59 -10.64 -4.26 31.07 2.95 23.97 -2.41 0.09 24.88 -3.25 coo -15.18 -6.47 39.05 -16.09 -5.31 37.09 -8.00 23.84 -2.71 -9.97 24.14 -3.95 coo -7.57 -10.16 36.43 -9.20 -10.33 37.73 -6.53 20.97 -8.85 -5.67 22.23 -10.32 1qq5_c03 source 1qq5 L-2-HALOACID DEHALOGENASE : 3 hits 1qq5_c03 naa= 4 ULMN 4 1qrg_c00 CARBONIC ANHYDRASE user 1 4 # 1 A 62 GLU A 194 GLU~? 19.96 O3 SO4 A 243 A 75 GLN A 90 GLN.? 18.93 O1 SO4 B 243 A 84 GLU A 193 GLU~? 18.22 O3 SO4 A 243 A 202 ASN A 238 ASN.? 20.43 O1 SO4 B 243 coo 31.58 50.21 48.39 31.33 50.18 50.48 8.83 1.58 -7.66 9.92 2.44 -9.22 coo 15.01 67.80 50.45 13.17 67.90 51.59 11.43 9.94 15.19 11.15 11.57 16.57 coo 31.72 45.69 48.66 33.65 44.89 48.92 11.64 -2.46 -10.15 13.74 -2.34 -9.81 coo 11.82 69.95 45.33 12.39 70.17 47.37 4.36 9.82 19.56 4.38 7.70 19.35 1qrg_c00 source 1qrg CARBONIC ANHYDRASE : 1 hits 1qrg_c00 naa= 4 ULMN 4 1r1j_c00 NEPRILYSIN user 1 4 # 1 A 584 GLU A 194 GLU~? 19.96 O3 SO4 A 243 A 650 ASP A 199 ASP~? 23.37 O3 SO4 A 243 A 711 HIS A 229 HIS^? 22.39 O3 SO4 A 243 A 717 ARG A 232 ARG.? 20.27 O3 SO4 A 243 coo 29.33 48.80 29.17 29.00 46.74 29.48 8.83 1.58 -7.66 9.92 2.44 -9.22 coo 38.62 44.38 31.99 36.86 43.62 32.96 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 coo 31.96 38.97 33.59 30.29 39.94 32.77 -0.05 2.05 -3.08 -1.62 2.78 -4.27 coo 36.26 41.03 36.49 33.98 42.25 34.87 -0.55 -1.37 -0.24 0.04 -2.25 -3.11 ULMN 4 1r1j_c00 NEPRILYSIN user 2 4 # 2 A 584 GLU B 194 GLU~? 20.15 O1 SO4 B 243 A 650 ASP B 199 ASP~? 23.68 O1 SO4 B 243 A 711 HIS B 229 HIS^? 22.78 O1 SO4 B 243 A 717 ARG B 232 ARG.? 20.69 O1 SO4 B 243 coo 29.33 48.80 29.17 29.00 46.74 29.48 -8.16 20.98 2.40 -10.14 20.22 2.52 coo 38.62 44.38 31.99 36.86 43.62 32.96 -3.04 28.39 -4.12 -2.88 29.28 -6.05 coo 31.96 38.97 33.59 30.29 39.94 32.77 0.17 20.57 -3.28 -0.12 19.82 -5.21 coo 36.26 41.03 36.49 33.98 42.25 34.87 2.95 23.97 -2.41 0.09 24.88 -3.25 1r1j_c00 source 1r1j NEPRILYSIN : 2 hits 1r1j_c00 naa= 4 ULMN 4 1u5u_c00 ALLENE OXIDE SYNTHASE-LIPOXYGENASE Puser 1 4 # 1 A 66 THR A 179 THR.? 15.18 O4 SO4 A 243 A 67 HIS A 180 HIS^? 16.73 O4 SO4 A 243 A 137 ASN B 238 ASN.? 19.44 O3 SO4 A 243 A 193 TYR B 88 TYR^? 16.84 O4 SO4 B 243 coo 28.20 41.82 42.62 29.28 42.14 44.50 24.49 4.59 16.02 26.60 5.17 15.98 coo 32.41 40.51 41.21 33.66 41.50 42.57 23.63 8.86 13.89 25.45 9.53 13.13 coo 38.92 43.24 43.12 36.92 42.57 43.31 17.45 13.57 12.63 18.87 14.00 11.14 coo 46.54 43.05 44.30 48.87 44.11 43.18 13.32 18.89 11.69 16.09 18.37 11.55 ULMN 4 1u5u_c00 ALLENE OXIDE SYNTHASE-LIPOXYGENASE Puser 2 4 # 2 A 66 THR B 179 THR.? 15.44 O2 SO4 B 243 A 67 HIS B 180 HIS^? 17.04 O1 SO4 B 243 A 137 ASN A 238 ASN.? 20.43 O1 SO4 B 243 A 193 TYR A 88 TYR^? 15.52 O3 SO4 A 243 coo 28.20 41.82 42.62 29.28 42.14 44.50 5.22 18.26 27.37 4.37 17.66 29.21 coo 32.41 40.51 41.21 33.66 41.50 42.57 3.74 13.87 25.77 2.21 13.26 27.09 coo 38.92 43.24 43.12 36.92 42.57 43.31 4.36 9.82 19.56 4.38 7.70 19.35 coo 46.54 43.05 44.30 48.87 44.11 43.18 5.49 2.26 14.81 3.47 0.31 15.09 1u5u_c00 source 1u5u ALLENE OXIDE SYNTHASE-LIPOXYGENASE PROTEIN : 2 hits 1u5u_c00 naa= 4 ULMN 4 1u5u_c01 ALLENE OXIDE SYNTHASE-LIPOXYGENASE Puser 1 4 # 1 B 66 THR A 179 THR.? 15.18 O4 SO4 A 243 B 67 HIS A 180 HIS^? 16.73 O4 SO4 A 243 B 137 ASN B 238 ASN.? 19.44 O3 SO4 A 243 B 193 TYR B 88 TYR^? 16.84 O4 SO4 B 243 coo 3.71 33.92 55.88 4.29 34.65 57.86 24.49 4.59 16.02 26.60 5.17 15.98 coo -0.56 34.99 57.51 -0.33 34.72 59.58 23.63 8.86 13.89 25.45 9.53 13.13 coo -3.36 33.91 64.21 -1.95 34.36 62.68 17.45 13.57 12.63 18.87 14.00 11.14 coo -7.94 35.44 70.24 -10.15 34.30 71.53 13.32 18.89 11.69 16.09 18.37 11.55 ULMN 4 1u5u_c01 ALLENE OXIDE SYNTHASE-LIPOXYGENASE Puser 2 4 # 2 B 66 THR B 179 THR.? 15.44 O2 SO4 B 243 B 67 HIS B 180 HIS^? 17.04 O1 SO4 B 243 B 137 ASN A 238 ASN.? 20.43 O1 SO4 B 243 B 193 TYR A 88 TYR^? 15.52 O3 SO4 A 243 coo 3.71 33.92 55.88 4.29 34.65 57.86 5.22 18.26 27.37 4.37 17.66 29.21 coo -0.56 34.99 57.51 -0.33 34.72 59.58 3.74 13.87 25.77 2.21 13.26 27.09 coo -3.36 33.91 64.21 -1.95 34.36 62.68 4.36 9.82 19.56 4.38 7.70 19.35 coo -7.94 35.44 70.24 -10.15 34.30 71.53 5.49 2.26 14.81 3.47 0.31 15.09 1u5u_c01 source 1u5u ALLENE OXIDE SYNTHASE-LIPOXYGENASE PROTEIN : 2 hits 1u5u_c01 naa= 4 ULMN 4 1vie_c00 DIHYDROFOLATE REDUCTASE user 1 4 # 1 32 LYS A 175 LYS~? 15.75 O4 SO4 A 243 67 GLN A 173 GLN~? 14.35 O4 SO4 A 243 68 ILE A 156 ILE~? 11.21 O1 SO4 A 243 69 TYR A 174 TYR~? 13.06 O4 SO4 A 243 coo 48.90 34.31 31.27 46.88 31.76 27.75 31.71 -5.61 14.13 32.23 -10.41 15.70 coo 39.39 36.10 28.84 38.74 37.41 27.29 29.47 -11.84 8.76 30.68 -13.53 9.28 coo 37.05 32.93 33.62 35.59 32.79 33.64 28.51 -7.36 2.67 27.74 -6.31 3.02 coo 42.56 32.62 31.97 42.58 34.44 29.84 31.39 -6.57 8.03 31.19 -7.97 5.66 ULMN 4 1vie_c00 DIHYDROFOLATE REDUCTASE user 2 4 # 2 32 LYS B 175 LYS~? 16.29 O2 SO4 B 243 67 GLN B 173 GLN~? 14.36 O2 SO4 B 243 68 ILE B 156 ILE~? 11.24 O3 SO4 B 243 69 TYR B 174 TYR~? 13.14 O2 SO4 B 243 coo 48.90 34.31 31.27 46.88 31.76 27.75 -0.06 28.25 32.86 0.77 33.04 34.82 coo 39.39 36.10 28.84 38.74 37.41 27.29 -3.50 34.75 28.65 -3.49 36.35 30.07 coo 37.05 32.93 33.62 35.59 32.79 33.64 -8.52 30.06 24.59 -7.84 29.02 23.99 coo 42.56 32.62 31.97 42.58 34.44 29.84 -5.23 29.34 29.67 -7.24 30.79 28.42 1vie_c00 source 1vie DIHYDROFOLATE REDUCTASE : 2 hits 1vie_c00 naa= 4 ULMN 4 1xqw_c01 PROLINE IMINOPEPTIDASE user 1 4 # 1 A 105 ALA A 213 ALA^? 10.00 O4 SO4 A 243 A 106 TYR A 222 TYR^? 7.75 O4 SO4 A 243 A 244 ASP A 218 ASP~? 20.27 O4 SO4 A 243 A 271 HIS A 180 HIS^? 16.73 O4 SO4 A 243 coo 15.05 3.71 6.93 14.58 4.88 7.78 22.60 4.81 8.44 22.43 3.32 8.50 coo 19.84 3.34 10.90 21.84 1.93 12.24 23.05 0.50 5.53 21.22 0.35 7.67 coo 9.85 8.15 0.76 10.61 7.04 2.39 29.47 11.44 11.56 27.66 12.20 10.67 coo 10.61 7.65 6.01 12.39 6.55 6.23 23.63 8.86 13.89 25.45 9.53 13.13 ULMN 4 1xqw_c01 PROLINE IMINOPEPTIDASE user 2 4 # 2 A 105 ALA B 213 ALA^? 9.77 O1 SO4 B 243 A 106 TYR B 222 TYR^? 7.39 O1 SO4 B 243 A 244 ASP B 218 ASP~? 20.31 O1 SO4 B 243 A 271 HIS B 180 HIS^? 17.04 O1 SO4 B 243 coo 15.05 3.71 6.93 14.58 4.88 7.78 -0.45 17.94 22.18 -0.36 19.49 22.01 coo 19.84 3.34 10.90 21.84 1.93 12.24 -3.31 22.23 21.14 -0.55 22.44 20.59 coo 9.85 8.15 0.76 10.61 7.04 2.39 -1.00 11.19 29.58 -0.84 10.48 27.56 coo 10.61 7.65 6.01 12.39 6.55 6.23 3.74 13.87 25.77 2.21 13.26 27.09 1xqw_c01 source 1xqw PROLINE IMINOPEPTIDASE : 2 hits 1xqw_c01 naa= 4 ULMN 4 1ybv_c02 TRIHYDROXYNAPHTHALENE REDUCTASE user 1 4 # 1 A 138 ASN A 181 ASN^? 11.66 O3 SO4 A 243 A 164 SER A 224 SER^? 7.40 O3 SO4 A 243 A 178 TYR A 222 TYR^? 7.75 O4 SO4 A 243 A 182 LYS A 211 LYS^? 6.62 O3 SO4 A 243 coo 91.03 8.04 22.97 90.97 9.59 21.54 19.53 6.32 10.38 17.67 6.06 11.34 coo 81.46 10.53 21.66 82.20 10.82 19.39 18.13 2.56 1.79 18.41 0.79 3.71 coo 87.67 8.69 17.10 86.62 10.83 18.52 23.05 0.50 5.53 21.22 0.35 7.67 coo 85.30 6.17 22.83 87.26 11.02 23.50 17.59 6.59 4.81 17.28 1.50 8.69 ULMN 4 1ybv_c02 TRIHYDROXYNAPHTHALENE REDUCTASE user 2 4 # 2 A 138 ASN B 181 ASN^? 11.58 O1 SO4 B 243 A 164 SER B 224 SER^? 7.35 O1 SO4 B 243 A 178 TYR B 222 TYR^? 7.39 O1 SO4 B 243 A 182 LYS B 211 LYS^? 7.04 O1 SO4 B 243 coo 91.03 8.04 22.97 90.97 9.59 21.54 2.76 16.58 20.36 4.48 16.80 19.15 coo 81.46 10.53 21.66 82.20 10.82 19.39 -4.24 20.16 15.05 -2.83 21.89 16.14 coo 87.67 8.69 17.10 86.62 10.83 18.52 -3.31 22.23 21.14 -0.55 22.44 20.59 coo 85.30 6.17 22.83 87.26 11.02 23.50 -1.16 16.10 16.00 2.65 20.89 17.79 1ybv_c02 source 1ybv TRIHYDROXYNAPHTHALENE REDUCTASE : 2 hits 1ybv_c02 naa= 4 ULMN 4 1ybv_c03 TRIHYDROXYNAPHTHALENE REDUCTASE user 1 4 # 1 B 138 ASN A 181 ASN^? 11.66 O3 SO4 A 243 B 164 SER A 224 SER^? 7.40 O3 SO4 A 243 B 178 TYR A 222 TYR^? 7.75 O4 SO4 A 243 B 182 LYS A 211 LYS^? 6.62 O3 SO4 A 243 coo 51.66 3.38 31.64 51.71 3.02 33.73 19.53 6.32 10.38 17.67 6.06 11.34 coo 61.22 3.61 34.51 60.46 1.86 35.98 18.13 2.56 1.79 18.41 0.79 3.71 coo 54.99 -1.20 35.40 56.04 1.15 36.44 23.05 0.50 5.53 21.22 0.35 7.67 coo 57.40 2.23 30.19 55.43 5.44 33.87 17.59 6.59 4.81 17.28 1.50 8.69 ULMN 4 1ybv_c03 TRIHYDROXYNAPHTHALENE REDUCTASE user 2 4 # 2 B 138 ASN B 181 ASN^? 11.58 O1 SO4 B 243 B 164 SER B 224 SER^? 7.35 O1 SO4 B 243 B 178 TYR B 222 TYR^? 7.39 O1 SO4 B 243 B 182 LYS B 211 LYS^? 7.04 O1 SO4 B 243 coo 51.66 3.38 31.64 51.71 3.02 33.73 2.76 16.58 20.36 4.48 16.80 19.15 coo 61.22 3.61 34.51 60.46 1.86 35.98 -4.24 20.16 15.05 -2.83 21.89 16.14 coo 54.99 -1.20 35.40 56.04 1.15 36.44 -3.31 22.23 21.14 -0.55 22.44 20.59 coo 57.40 2.23 30.19 55.43 5.44 33.87 -1.16 16.10 16.00 2.65 20.89 17.79 1ybv_c03 source 1ybv TRIHYDROXYNAPHTHALENE REDUCTASE : 2 hits 1ybv_c03 naa= 4 ULMN 3 1a05_c00 3-ISOPROPYLMALATE DEHYDROGENASE user 1 3 # 1 A 140 TYR A 148 TYR^? 8.27 O1 SO4 A 243 B 190 LYS A 131 LYS^? 17.03 O1 SO4 A 243 B 222 ASP A 107 ASP^? 18.51 O1 SO4 A 243 coo 7.17 16.59 41.26 8.01 19.20 40.73 25.02 -3.19 2.22 22.65 -3.79 3.58 coo 13.38 20.00 35.06 11.43 22.49 39.53 16.33 -5.43 -3.31 16.51 -3.10 -9.13 coo 9.76 26.58 38.10 11.63 25.78 38.76 23.22 -6.70 -8.91 22.86 -8.00 -10.43 ULMN 3 1a05_c00 3-ISOPROPYLMALATE DEHYDROGENASE user 2 3 # 2 A 140 TYR A 222 TYR^? 7.75 O4 SO4 A 243 B 190 LYS A 118 LYS~? 14.73 O3 SO4 A 243 B 222 ASP A 210 ASP^? 16.17 O3 SO4 A 243 coo 7.17 16.59 41.26 8.01 19.20 40.73 23.05 0.50 5.53 21.22 0.35 7.67 coo 13.38 20.00 35.06 11.43 22.49 39.53 25.35 9.54 0.37 20.43 7.24 0.70 coo 9.76 26.58 38.10 11.63 25.78 38.76 15.65 9.10 1.05 17.66 9.20 0.39 ULMN 3 1a05_c00 3-ISOPROPYLMALATE DEHYDROGENASE user 3 3 # 3 A 140 TYR B 148 TYR^? 8.32 O1 SO4 B 243 B 190 LYS B 131 LYS^? 17.11 O1 SO4 B 243 B 222 ASP B 107 ASP^? 18.02 O3 SO4 B 243 coo 7.17 16.59 41.26 8.01 19.20 40.73 -7.17 25.88 21.30 -4.84 26.54 19.90 coo 13.38 20.00 35.06 11.43 22.49 39.53 -7.93 28.07 10.94 -13.10 25.67 8.39 coo 9.76 26.58 38.10 11.63 25.78 38.76 -16.27 29.29 14.31 -16.58 30.52 12.63 ULMN 3 1a05_c00 3-ISOPROPYLMALATE DEHYDROGENASE user 4 3 # 4 A 140 TYR B 222 TYR^? 7.39 O1 SO4 B 243 B 190 LYS B 118 LYS~? 15.88 O1 SO4 B 243 B 222 ASP B 210 ASP^? 16.02 O1 SO4 B 243 coo 7.17 16.59 41.26 8.01 19.20 40.73 -3.31 22.23 21.14 -0.55 22.44 20.59 coo 13.38 20.00 35.06 11.43 22.49 39.53 -8.85 13.11 20.72 -7.39 14.71 15.31 coo 9.76 26.58 38.10 11.63 25.78 38.76 -3.61 13.59 12.62 -5.22 13.58 13.96 1a05_c00 source 1a05 3-ISOPROPYLMALATE DEHYDROGENASE : 4 hits 1a05_c00 naa= 3 ULMN 3 1a05_c01 3-ISOPROPYLMALATE DEHYDROGENASE user 1 3 # 1 A 190 LYS A 118 LYS~? 14.73 O3 SO4 A 243 A 222 ASP A 210 ASP^? 16.17 O3 SO4 A 243 B 140 TYR A 222 TYR^? 7.75 O4 SO4 A 243 coo -4.61 20.12 30.34 -2.74 22.65 25.95 25.35 9.54 0.37 20.43 7.24 0.70 coo -1.04 26.60 27.37 -2.94 25.93 26.69 15.65 9.10 1.05 17.66 9.20 0.39 coo 1.51 16.60 24.17 0.82 19.23 24.79 23.05 0.50 5.53 21.22 0.35 7.67 ULMN 3 1a05_c01 3-ISOPROPYLMALATE DEHYDROGENASE user 2 3 # 2 A 190 LYS A 131 LYS^? 17.03 O1 SO4 A 243 A 222 ASP A 107 ASP^? 18.51 O1 SO4 A 243 B 140 TYR A 148 TYR^? 8.27 O1 SO4 A 243 coo -4.61 20.12 30.34 -2.74 22.65 25.95 16.33 -5.43 -3.31 16.51 -3.10 -9.13 coo -1.04 26.60 27.37 -2.94 25.93 26.69 23.22 -6.70 -8.91 22.86 -8.00 -10.43 coo 1.51 16.60 24.17 0.82 19.23 24.79 25.02 -3.19 2.22 22.65 -3.79 3.58 ULMN 3 1a05_c01 3-ISOPROPYLMALATE DEHYDROGENASE user 3 3 # 3 A 190 LYS B 118 LYS~? 15.88 O1 SO4 B 243 A 222 ASP B 210 ASP^? 16.02 O1 SO4 B 243 B 140 TYR B 222 TYR^? 7.39 O1 SO4 B 243 coo -4.61 20.12 30.34 -2.74 22.65 25.95 -8.85 13.11 20.72 -7.39 14.71 15.31 coo -1.04 26.60 27.37 -2.94 25.93 26.69 -3.61 13.59 12.62 -5.22 13.58 13.96 coo 1.51 16.60 24.17 0.82 19.23 24.79 -3.31 22.23 21.14 -0.55 22.44 20.59 ULMN 3 1a05_c01 3-ISOPROPYLMALATE DEHYDROGENASE user 4 3 # 4 A 190 LYS B 131 LYS^? 17.11 O1 SO4 B 243 A 222 ASP B 107 ASP^? 18.02 O3 SO4 B 243 B 140 TYR B 148 TYR^? 8.32 O1 SO4 B 243 coo -4.61 20.12 30.34 -2.74 22.65 25.95 -7.93 28.07 10.94 -13.10 25.67 8.39 coo -1.04 26.60 27.37 -2.94 25.93 26.69 -16.27 29.29 14.31 -16.58 30.52 12.63 coo 1.51 16.60 24.17 0.82 19.23 24.79 -7.17 25.88 21.30 -4.84 26.54 19.90 1a05_c01 source 1a05 3-ISOPROPYLMALATE DEHYDROGENASE : 4 hits 1a05_c01 naa= 3 ULMN 3 1a0j_c00 TRYPSIN user 1 3 # 1 A 57 HIS A 106 HIS^? 13.08 O1 SO4 A 243 A 102 ASP A 157 ASP~? 15.53 O1 SO4 A 243 A 195 SER A 105 SER^? 14.75 O1 SO4 A 243 coo 25.57 41.22 61.68 24.18 39.98 62.50 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo 22.33 45.48 59.73 23.35 43.67 60.06 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo 20.90 36.72 61.65 22.18 37.53 63.52 17.97 -9.58 -6.03 17.57 -7.57 -7.37 ULMN 3 1a0j_c00 TRYPSIN user 2 3 # 2 A 57 HIS B 106 HIS^? 13.01 O3 SO4 B 243 A 102 ASP B 157 ASP~? 15.61 O3 SO4 B 243 A 195 SER B 105 SER^? 14.66 O3 SO4 B 243 coo 25.57 41.22 61.68 24.18 39.98 62.50 -11.40 33.04 16.07 -11.74 35.05 16.56 coo 22.33 45.48 59.73 23.35 43.67 60.06 -12.32 32.41 21.01 -13.75 33.02 22.44 coo 20.90 36.72 61.65 22.18 37.53 63.52 -11.13 32.24 11.11 -11.87 30.19 10.06 1a0j_c00 source 1a0j TRYPSIN : 2 hits 1a0j_c00 naa= 3 ULMN 3 1a0j_c01 TRYPSIN user 1 3 # 1 B 57 HIS A 106 HIS^? 13.08 O1 SO4 A 243 B 102 ASP A 157 ASP~? 15.53 O1 SO4 A 243 B 195 SER A 105 SER^? 14.75 O1 SO4 A 243 coo 44.08 45.58 52.81 45.86 46.55 52.85 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo 43.04 44.75 47.18 43.31 45.51 49.13 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo 48.11 50.52 52.24 48.62 48.46 53.13 17.97 -9.58 -6.03 17.57 -7.57 -7.37 ULMN 3 1a0j_c01 TRYPSIN user 2 3 # 2 B 57 HIS B 106 HIS^? 13.01 O3 SO4 B 243 B 102 ASP B 157 ASP~? 15.61 O3 SO4 B 243 B 195 SER B 105 SER^? 14.66 O3 SO4 B 243 coo 44.08 45.58 52.81 45.86 46.55 52.85 -11.40 33.04 16.07 -11.74 35.05 16.56 coo 43.04 44.75 47.18 43.31 45.51 49.13 -12.32 32.41 21.01 -13.75 33.02 22.44 coo 48.11 50.52 52.24 48.62 48.46 53.13 -11.13 32.24 11.11 -11.87 30.19 10.06 1a0j_c01 source 1a0j TRYPSIN : 2 hits 1a0j_c01 naa= 3 ULMN 3 1a0j_c02 TRYPSIN user 1 3 # 1 C 57 HIS A 106 HIS^? 13.08 O1 SO4 A 243 C 102 ASP A 157 ASP~? 15.53 O1 SO4 A 243 C 195 SER A 105 SER^? 14.75 O1 SO4 A 243 coo 34.37 41.18 73.21 34.04 43.09 73.87 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo 34.89 38.34 78.12 35.11 39.59 76.42 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo 36.16 46.87 75.66 34.01 46.43 74.59 17.97 -9.58 -6.03 17.57 -7.57 -7.37 ULMN 3 1a0j_c02 TRYPSIN user 2 3 # 2 C 57 HIS B 106 HIS^? 13.01 O3 SO4 B 243 C 102 ASP B 157 ASP~? 15.61 O3 SO4 B 243 C 195 SER B 105 SER^? 14.66 O3 SO4 B 243 coo 34.37 41.18 73.21 34.04 43.09 73.87 -11.40 33.04 16.07 -11.74 35.05 16.56 coo 34.89 38.34 78.12 35.11 39.59 76.42 -12.32 32.41 21.01 -13.75 33.02 22.44 coo 36.16 46.87 75.66 34.01 46.43 74.59 -11.13 32.24 11.11 -11.87 30.19 10.06 1a0j_c02 source 1a0j TRYPSIN : 2 hits 1a0j_c02 naa= 3 ULMN 3 1a0j_c03 TRYPSIN user 1 3 # 1 D 57 HIS A 106 HIS^? 13.08 O1 SO4 A 243 D 102 ASP A 157 ASP~? 15.53 O1 SO4 A 243 D 195 SER A 105 SER^? 14.75 O1 SO4 A 243 coo 8.19 15.01 95.72 7.78 16.53 97.01 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo 13.53 16.28 93.98 11.45 16.21 94.40 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo 6.63 21.03 97.42 6.71 19.20 98.95 17.97 -9.58 -6.03 17.57 -7.57 -7.37 ULMN 3 1a0j_c03 TRYPSIN user 2 3 # 2 D 57 HIS B 106 HIS^? 13.01 O3 SO4 B 243 D 102 ASP B 157 ASP~? 15.61 O3 SO4 B 243 D 195 SER B 105 SER^? 14.66 O3 SO4 B 243 coo 8.19 15.01 95.72 7.78 16.53 97.01 -11.40 33.04 16.07 -11.74 35.05 16.56 coo 13.53 16.28 93.98 11.45 16.21 94.40 -12.32 32.41 21.01 -13.75 33.02 22.44 coo 6.63 21.03 97.42 6.71 19.20 98.95 -11.13 32.24 11.11 -11.87 30.19 10.06 1a0j_c03 source 1a0j TRYPSIN : 2 hits 1a0j_c03 naa= 3 ULMN 3 1a0j_c12 TRYPSIN user 1 3 # 1 A 57 HIS A 106 HIS^? 13.08 O1 SO4 A 243 A 102 ASP A 107 ASP^? 18.51 O1 SO4 A 243 A 193 GLY A 155 GLY~? 16.12 O1 SO4 A 243 coo 25.57 41.22 61.68 24.18 39.98 62.50 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo 22.33 45.48 59.73 23.35 43.67 60.06 23.22 -6.70 -8.91 22.86 -8.00 -10.43 coo 22.57 32.23 64.13 21.98 32.82 64.22 32.17 -9.95 0.50 31.84 -9.33 0.84 ULMN 3 1a0j_c12 TRYPSIN user 2 3 # 2 A 57 HIS B 106 HIS^? 13.01 O3 SO4 B 243 A 102 ASP B 107 ASP^? 18.02 O3 SO4 B 243 A 193 GLY B 155 GLY~? 16.11 O3 SO4 B 243 coo 25.57 41.22 61.68 24.18 39.98 62.50 -11.40 33.04 16.07 -11.74 35.05 16.56 coo 22.33 45.48 59.73 23.35 43.67 60.06 -16.27 29.29 14.31 -16.58 30.52 12.63 coo 22.57 32.23 64.13 21.98 32.82 64.22 -12.14 32.63 26.81 -11.73 31.99 26.60 1a0j_c12 source 1a0j TRYPSIN : 2 hits 1a0j_c12 naa= 3 ULMN 3 1a0j_c13 TRYPSIN user 1 3 # 1 B 57 HIS A 106 HIS^? 13.08 O1 SO4 A 243 B 102 ASP A 107 ASP^? 18.51 O1 SO4 A 243 B 193 GLY A 155 GLY~? 16.12 O1 SO4 A 243 coo 44.08 45.58 52.81 45.86 46.55 52.85 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo 43.04 44.75 47.18 43.31 45.51 49.13 23.22 -6.70 -8.91 22.86 -8.00 -10.43 coo 50.46 51.91 56.90 50.65 51.62 56.14 32.17 -9.95 0.50 31.84 -9.33 0.84 ULMN 3 1a0j_c13 TRYPSIN user 2 3 # 2 B 57 HIS B 106 HIS^? 13.01 O3 SO4 B 243 B 102 ASP B 107 ASP^? 18.02 O3 SO4 B 243 B 193 GLY B 155 GLY~? 16.11 O3 SO4 B 243 coo 44.08 45.58 52.81 45.86 46.55 52.85 -11.40 33.04 16.07 -11.74 35.05 16.56 coo 43.04 44.75 47.18 43.31 45.51 49.13 -16.27 29.29 14.31 -16.58 30.52 12.63 coo 50.46 51.91 56.90 50.65 51.62 56.14 -12.14 32.63 26.81 -11.73 31.99 26.60 1a0j_c13 source 1a0j TRYPSIN : 2 hits 1a0j_c13 naa= 3 ULMN 3 1a0j_c14 TRYPSIN user 1 3 # 1 C 57 HIS A 106 HIS^? 13.08 O1 SO4 A 243 C 102 ASP A 107 ASP^? 18.51 O1 SO4 A 243 C 193 GLY A 155 GLY~? 16.12 O1 SO4 A 243 coo 34.37 41.18 73.21 34.04 43.09 73.87 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo 34.89 38.34 78.12 35.11 39.59 76.42 23.22 -6.70 -8.91 22.86 -8.00 -10.43 coo 35.43 51.03 72.12 35.20 50.72 72.87 32.17 -9.95 0.50 31.84 -9.33 0.84 ULMN 3 1a0j_c14 TRYPSIN user 2 3 # 2 C 57 HIS B 106 HIS^? 13.01 O3 SO4 B 243 C 102 ASP B 107 ASP^? 18.02 O3 SO4 B 243 C 193 GLY B 155 GLY~? 16.11 O3 SO4 B 243 coo 34.37 41.18 73.21 34.04 43.09 73.87 -11.40 33.04 16.07 -11.74 35.05 16.56 coo 34.89 38.34 78.12 35.11 39.59 76.42 -16.27 29.29 14.31 -16.58 30.52 12.63 coo 35.43 51.03 72.12 35.20 50.72 72.87 -12.14 32.63 26.81 -11.73 31.99 26.60 1a0j_c14 source 1a0j TRYPSIN : 2 hits 1a0j_c14 naa= 3 ULMN 3 1a0j_c15 TRYPSIN user 1 3 # 1 D 57 HIS A 106 HIS^? 13.08 O1 SO4 A 243 D 102 ASP A 107 ASP^? 18.51 O1 SO4 A 243 D 193 GLY A 155 GLY~? 16.12 O1 SO4 A 243 coo 8.19 15.01 95.72 7.78 16.53 97.01 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo 13.53 16.28 93.98 11.45 16.21 94.40 23.22 -6.70 -8.91 22.86 -8.00 -10.43 coo 1.80 21.25 100.04 2.61 21.42 100.18 32.17 -9.95 0.50 31.84 -9.33 0.84 ULMN 3 1a0j_c15 TRYPSIN user 2 3 # 2 D 57 HIS B 106 HIS^? 13.01 O3 SO4 B 243 D 102 ASP B 107 ASP^? 18.02 O3 SO4 B 243 D 193 GLY B 155 GLY~? 16.11 O3 SO4 B 243 coo 8.19 15.01 95.72 7.78 16.53 97.01 -11.40 33.04 16.07 -11.74 35.05 16.56 coo 13.53 16.28 93.98 11.45 16.21 94.40 -16.27 29.29 14.31 -16.58 30.52 12.63 coo 1.80 21.25 100.04 2.61 21.42 100.18 -12.14 32.63 26.81 -11.73 31.99 26.60 1a0j_c15 source 1a0j TRYPSIN : 2 hits 1a0j_c15 naa= 3 ULMN 3 1a41_c01 TOPOISOMERASE I user 1 3 # 1 223 ARG A 132 ARG^? -2.74 O1 SO4 A 243s 265 HIS A 106 HIS^? 13.08 O1 SO4 A 243 274 TYR A 174 TYR~? 13.06 O4 SO4 A 243 coo -15.18 55.46 8.55 -14.82 52.98 10.38 16.18 -7.91 2.07 16.78 -6.68 4.89 coo -14.48 45.59 11.18 -14.02 47.49 10.42 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo 0.94 52.26 9.16 1.95 54.78 9.91 31.39 -6.57 8.03 31.19 -7.97 5.66 ULMN 3 1a41_c01 TOPOISOMERASE I user 2 3 # 2 223 ARG B 132 ARG^? -2.94 O3 SO4 B 243s 265 HIS B 106 HIS^? 13.01 O3 SO4 B 243 274 TYR B 174 TYR~? 13.14 O2 SO4 B 243 coo -15.18 55.46 8.55 -14.82 52.98 10.38 -3.03 30.55 13.28 -1.00 29.32 15.28 coo -14.48 45.59 11.18 -14.02 47.49 10.42 -11.40 33.04 16.07 -11.74 35.05 16.56 coo 0.94 52.26 9.16 1.95 54.78 9.91 -5.23 29.34 29.67 -7.24 30.79 28.42 1a41_c01 source 1a41 TOPOISOMERASE I : 2 hits 1a41_c01 naa= 3 ULMN 3 1a4s_c00 BETAINE ALDEHYDE DEHYDROGENASE user 1 3 # 1 A 166 ASN A 181 ASN^? 11.66 O3 SO4 A 243 A 263 GLU A 144 GLU^? 5.14 O3 SO4 A 243 A 297 CYH A 223 CYH^? 13.89 O3 SO4 A 243 coo -29.12 -17.91 -4.01 -27.90 -16.18 -4.17 19.53 6.32 10.38 17.67 6.06 11.34 coo -22.63 -7.00 -2.71 -20.98 -7.55 -3.90 15.10 -1.99 1.69 15.82 -3.30 3.21 coo -26.23 -13.20 -9.20 -24.31 -12.88 -7.19 21.69 3.75 2.44 22.79 4.57 -0.06 ULMN 3 1a4s_c00 BETAINE ALDEHYDE DEHYDROGENASE user 2 3 # 2 A 166 ASN A 181 ASN^? 11.66 O3 SO4 A 243 A 263 GLU A 208 GLU^? 18.11 O3 SO4 A 243 A 297 CYH A 223 CYH^? 13.89 O3 SO4 A 243 coo -29.12 -17.91 -4.01 -27.90 -16.18 -4.17 19.53 6.32 10.38 17.67 6.06 11.34 coo -22.63 -7.00 -2.71 -20.98 -7.55 -3.90 11.78 7.44 -1.74 12.80 8.58 -3.28 coo -26.23 -13.20 -9.20 -24.31 -12.88 -7.19 21.69 3.75 2.44 22.79 4.57 -0.06 ULMN 3 1a4s_c00 BETAINE ALDEHYDE DEHYDROGENASE user 3 3 # 3 A 166 ASN A 231 ASN.? 25.70 O3 SO4 A 243 A 263 GLU A 194 GLU~? 19.96 O3 SO4 A 243 A 297 CYH A 200 CYH.? 21.90 O3 SO4 A 243 coo -29.12 -17.91 -4.01 -27.90 -16.18 -4.17 -4.01 3.19 -0.61 -4.89 4.35 -2.16 coo -22.63 -7.00 -2.71 -20.98 -7.55 -3.90 8.83 1.58 -7.66 9.92 2.44 -9.22 coo -26.23 -13.20 -9.20 -24.31 -12.88 -7.19 -0.03 -1.22 -8.06 2.13 0.46 -7.36 ULMN 3 1a4s_c00 BETAINE ALDEHYDE DEHYDROGENASE user 4 3 # 4 A 166 ASN B 181 ASN^? 11.58 O1 SO4 B 243 A 263 GLU B 144 GLU^? 5.26 O1 SO4 B 243 A 297 CYH B 223 CYH^? 13.65 O1 SO4 B 243 coo -29.12 -17.91 -4.01 -27.90 -16.18 -4.17 2.76 16.58 20.36 4.48 16.80 19.15 coo -22.63 -7.00 -2.71 -20.98 -7.55 -3.90 -2.94 24.68 12.26 -2.09 26.04 13.69 coo -26.23 -13.20 -9.20 -24.31 -12.88 -7.19 -5.44 18.90 18.45 -8.10 18.07 18.26 ULMN 3 1a4s_c00 BETAINE ALDEHYDE DEHYDROGENASE user 5 3 # 5 A 166 ASN B 181 ASN^? 11.58 O1 SO4 B 243 A 263 GLU B 208 GLU^? 18.08 O1 SO4 B 243 A 297 CYH B 223 CYH^? 13.65 O1 SO4 B 243 coo -29.12 -17.91 -4.01 -27.90 -16.18 -4.17 2.76 16.58 20.36 4.48 16.80 19.15 coo -22.63 -7.00 -2.71 -20.98 -7.55 -3.90 -4.22 15.23 7.76 -6.03 14.17 7.93 coo -26.23 -13.20 -9.20 -24.31 -12.88 -7.19 -5.44 18.90 18.45 -8.10 18.07 18.26 ULMN 3 1a4s_c00 BETAINE ALDEHYDE DEHYDROGENASE user 6 3 # 6 A 166 ASN B 231 ASN.? 26.15 O1 SO4 B 243 A 263 GLU B 194 GLU~? 20.15 O1 SO4 B 243 A 297 CYH B 200 CYH.? 22.22 O1 SO4 B 243 coo -29.12 -17.91 -4.01 -27.90 -16.18 -4.17 4.19 19.46 -5.53 3.38 18.27 -7.08 coo -22.63 -7.00 -2.71 -20.98 -7.55 -3.90 -8.16 20.98 2.40 -10.14 20.22 2.52 coo -26.23 -13.20 -9.20 -24.31 -12.88 -7.19 -4.23 23.83 -5.59 -4.70 22.08 -3.39 1a4s_c00 source 1a4s BETAINE ALDEHYDE DEHYDROGENASE : 6 hits 1a4s_c00 naa= 3 ULMN 3 1a4s_c01 BETAINE ALDEHYDE DEHYDROGENASE user 1 3 # 1 B 166 ASN A 181 ASN^? 11.66 O3 SO4 A 243 B 263 GLU A 144 GLU^? 5.14 O3 SO4 A 243 B 297 CYH A 223 CYH^? 13.89 O3 SO4 A 243 coo -17.71 28.81 3.98 -17.49 26.70 4.16 19.53 6.32 10.38 17.67 6.06 11.34 coo -16.93 16.15 2.64 -15.22 15.89 3.84 15.10 -1.99 1.69 15.82 -3.30 3.21 coo -17.36 23.25 9.07 -15.77 22.09 7.09 21.69 3.75 2.44 22.79 4.57 -0.06 ULMN 3 1a4s_c01 BETAINE ALDEHYDE DEHYDROGENASE user 2 3 # 2 B 166 ASN A 181 ASN^? 11.66 O3 SO4 A 243 B 263 GLU A 208 GLU^? 18.11 O3 SO4 A 243 B 297 CYH A 223 CYH^? 13.89 O3 SO4 A 243 coo -17.71 28.81 3.98 -17.49 26.70 4.16 19.53 6.32 10.38 17.67 6.06 11.34 coo -16.93 16.15 2.64 -15.22 15.89 3.84 11.78 7.44 -1.74 12.80 8.58 -3.28 coo -17.36 23.25 9.07 -15.77 22.09 7.09 21.69 3.75 2.44 22.79 4.57 -0.06 ULMN 3 1a4s_c01 BETAINE ALDEHYDE DEHYDROGENASE user 3 3 # 3 B 166 ASN B 181 ASN^? 11.58 O1 SO4 B 243 B 263 GLU B 144 GLU^? 5.26 O1 SO4 B 243 B 297 CYH B 223 CYH^? 13.65 O1 SO4 B 243 coo -17.71 28.81 3.98 -17.49 26.70 4.16 2.76 16.58 20.36 4.48 16.80 19.15 coo -16.93 16.15 2.64 -15.22 15.89 3.84 -2.94 24.68 12.26 -2.09 26.04 13.69 coo -17.36 23.25 9.07 -15.77 22.09 7.09 -5.44 18.90 18.45 -8.10 18.07 18.26 ULMN 3 1a4s_c01 BETAINE ALDEHYDE DEHYDROGENASE user 4 3 # 4 B 166 ASN B 181 ASN^? 11.58 O1 SO4 B 243 B 263 GLU B 208 GLU^? 18.08 O1 SO4 B 243 B 297 CYH B 223 CYH^? 13.65 O1 SO4 B 243 coo -17.71 28.81 3.98 -17.49 26.70 4.16 2.76 16.58 20.36 4.48 16.80 19.15 coo -16.93 16.15 2.64 -15.22 15.89 3.84 -4.22 15.23 7.76 -6.03 14.17 7.93 coo -17.36 23.25 9.07 -15.77 22.09 7.09 -5.44 18.90 18.45 -8.10 18.07 18.26 ULMN 3 1a4s_c01 BETAINE ALDEHYDE DEHYDROGENASE user 5 3 # 5 B 166 ASN B 231 ASN.? 26.15 O1 SO4 B 243 B 263 GLU B 194 GLU~? 20.15 O1 SO4 B 243 B 297 CYH B 200 CYH.? 22.22 O1 SO4 B 243 coo -17.71 28.81 3.98 -17.49 26.70 4.16 4.19 19.46 -5.53 3.38 18.27 -7.08 coo -16.93 16.15 2.64 -15.22 15.89 3.84 -8.16 20.98 2.40 -10.14 20.22 2.52 coo -17.36 23.25 9.07 -15.77 22.09 7.09 -4.23 23.83 -5.59 -4.70 22.08 -3.39 1a4s_c01 source 1a4s BETAINE ALDEHYDE DEHYDROGENASE : 5 hits 1a4s_c01 naa= 3 ULMN 3 1a4s_c02 BETAINE ALDEHYDE DEHYDROGENASE user 1 3 # 1 C 166 ASN A 181 ASN^? 11.66 O3 SO4 A 243 C 263 GLU A 144 GLU^? 5.14 O3 SO4 A 243 C 297 CYH A 223 CYH^? 13.89 O3 SO4 A 243 coo 21.46 -14.18 22.47 21.02 -12.84 20.88 19.53 6.32 10.38 17.67 6.06 11.34 coo 18.98 -8.30 11.46 17.52 -6.95 12.17 15.10 -1.99 1.69 15.82 -3.30 3.21 coo 21.48 -6.84 20.62 19.38 -7.54 18.90 21.69 3.75 2.44 22.79 4.57 -0.06 ULMN 3 1a4s_c02 BETAINE ALDEHYDE DEHYDROGENASE user 2 3 # 2 C 166 ASN A 181 ASN^? 11.66 O3 SO4 A 243 C 263 GLU A 208 GLU^? 18.11 O3 SO4 A 243 C 297 CYH A 223 CYH^? 13.89 O3 SO4 A 243 coo 21.46 -14.18 22.47 21.02 -12.84 20.88 19.53 6.32 10.38 17.67 6.06 11.34 coo 18.98 -8.30 11.46 17.52 -6.95 12.17 11.78 7.44 -1.74 12.80 8.58 -3.28 coo 21.48 -6.84 20.62 19.38 -7.54 18.90 21.69 3.75 2.44 22.79 4.57 -0.06 ULMN 3 1a4s_c02 BETAINE ALDEHYDE DEHYDROGENASE user 3 3 # 3 C 166 ASN B 181 ASN^? 11.58 O1 SO4 B 243 C 263 GLU B 144 GLU^? 5.26 O1 SO4 B 243 C 297 CYH B 223 CYH^? 13.65 O1 SO4 B 243 coo 21.46 -14.18 22.47 21.02 -12.84 20.88 2.76 16.58 20.36 4.48 16.80 19.15 coo 18.98 -8.30 11.46 17.52 -6.95 12.17 -2.94 24.68 12.26 -2.09 26.04 13.69 coo 21.48 -6.84 20.62 19.38 -7.54 18.90 -5.44 18.90 18.45 -8.10 18.07 18.26 ULMN 3 1a4s_c02 BETAINE ALDEHYDE DEHYDROGENASE user 4 3 # 4 C 166 ASN B 181 ASN^? 11.58 O1 SO4 B 243 C 263 GLU B 208 GLU^? 18.08 O1 SO4 B 243 C 297 CYH B 223 CYH^? 13.65 O1 SO4 B 243 coo 21.46 -14.18 22.47 21.02 -12.84 20.88 2.76 16.58 20.36 4.48 16.80 19.15 coo 18.98 -8.30 11.46 17.52 -6.95 12.17 -4.22 15.23 7.76 -6.03 14.17 7.93 coo 21.48 -6.84 20.62 19.38 -7.54 18.90 -5.44 18.90 18.45 -8.10 18.07 18.26 1a4s_c02 source 1a4s BETAINE ALDEHYDE DEHYDROGENASE : 4 hits 1a4s_c02 naa= 3 ULMN 3 1a4s_c03 BETAINE ALDEHYDE DEHYDROGENASE user 1 3 # 1 D 166 ASN A 181 ASN^? 11.66 O3 SO4 A 243 D 263 GLU A 144 GLU^? 5.14 O3 SO4 A 243 D 297 CYH A 223 CYH^? 13.89 O3 SO4 A 243 coo 25.54 3.42 -22.59 24.52 2.45 -20.95 19.53 6.32 10.38 17.67 6.06 11.34 coo 20.72 -0.76 -11.60 18.80 -1.24 -12.34 15.10 -1.99 1.69 15.82 -3.30 3.21 coo 22.24 -3.13 -20.79 20.78 -1.47 -19.04 21.69 3.75 2.44 22.79 4.57 -0.06 ULMN 3 1a4s_c03 BETAINE ALDEHYDE DEHYDROGENASE user 2 3 # 2 D 166 ASN A 181 ASN^? 11.66 O3 SO4 A 243 D 263 GLU A 208 GLU^? 18.11 O3 SO4 A 243 D 297 CYH A 223 CYH^? 13.89 O3 SO4 A 243 coo 25.54 3.42 -22.59 24.52 2.45 -20.95 19.53 6.32 10.38 17.67 6.06 11.34 coo 20.72 -0.76 -11.60 18.80 -1.24 -12.34 11.78 7.44 -1.74 12.80 8.58 -3.28 coo 22.24 -3.13 -20.79 20.78 -1.47 -19.04 21.69 3.75 2.44 22.79 4.57 -0.06 ULMN 3 1a4s_c03 BETAINE ALDEHYDE DEHYDROGENASE user 3 3 # 3 D 166 ASN B 181 ASN^? 11.58 O1 SO4 B 243 D 263 GLU B 144 GLU^? 5.26 O1 SO4 B 243 D 297 CYH B 223 CYH^? 13.65 O1 SO4 B 243 coo 25.54 3.42 -22.59 24.52 2.45 -20.95 2.76 16.58 20.36 4.48 16.80 19.15 coo 20.72 -0.76 -11.60 18.80 -1.24 -12.34 -2.94 24.68 12.26 -2.09 26.04 13.69 coo 22.24 -3.13 -20.79 20.78 -1.47 -19.04 -5.44 18.90 18.45 -8.10 18.07 18.26 ULMN 3 1a4s_c03 BETAINE ALDEHYDE DEHYDROGENASE user 4 3 # 4 D 166 ASN B 181 ASN^? 11.58 O1 SO4 B 243 D 263 GLU B 208 GLU^? 18.08 O1 SO4 B 243 D 297 CYH B 223 CYH^? 13.65 O1 SO4 B 243 coo 25.54 3.42 -22.59 24.52 2.45 -20.95 2.76 16.58 20.36 4.48 16.80 19.15 coo 20.72 -0.76 -11.60 18.80 -1.24 -12.34 -4.22 15.23 7.76 -6.03 14.17 7.93 coo 22.24 -3.13 -20.79 20.78 -1.47 -19.04 -5.44 18.90 18.45 -8.10 18.07 18.26 1a4s_c03 source 1a4s BETAINE ALDEHYDE DEHYDROGENASE : 4 hits 1a4s_c03 naa= 3 ULMN 3 1a50_c03 TRYPTOPHAN SYNTHASE user 1 3 # 1 A 49 GLU A 144 GLU^? 5.14 O3 SO4 A 243 A 60 ASP A 210 ASP^? 16.17 O3 SO4 A 243 A 175 TYR A 222 TYR^? 7.75 O4 SO4 A 243 coo 46.10 28.27 19.27 45.48 26.99 20.84 15.10 -1.99 1.69 15.82 -3.30 3.21 coo 56.42 28.06 12.93 55.01 27.92 14.50 15.65 9.10 1.05 17.66 9.20 0.39 coo 45.02 22.04 15.38 46.16 24.00 13.76 23.05 0.50 5.53 21.22 0.35 7.67 ULMN 3 1a50_c03 TRYPTOPHAN SYNTHASE user 2 3 # 2 A 49 GLU A 194 GLU~? 19.96 O3 SO4 A 243 A 60 ASP A 201 ASP.? 28.67 O3 SO4 A 243 A 175 TYR A 197 TYR~? 17.30 O1 SO4 A 243 coo 46.10 28.27 19.27 45.48 26.99 20.84 8.83 1.58 -7.66 9.92 2.44 -9.22 coo 56.42 28.06 12.93 55.01 27.92 14.50 -1.72 1.66 -11.39 -3.36 0.47 -11.68 coo 45.02 22.04 15.38 46.16 24.00 13.76 9.27 -5.67 -7.32 11.22 -6.86 -8.96 ULMN 3 1a50_c03 TRYPTOPHAN SYNTHASE user 3 3 # 3 A 49 GLU B 144 GLU^? 5.26 O1 SO4 B 243 A 60 ASP B 210 ASP^? 16.02 O1 SO4 B 243 A 175 TYR B 222 TYR^? 7.39 O1 SO4 B 243 coo 46.10 28.27 19.27 45.48 26.99 20.84 -2.94 24.68 12.26 -2.09 26.04 13.69 coo 56.42 28.06 12.93 55.01 27.92 14.50 -3.61 13.59 12.62 -5.22 13.58 13.96 coo 45.02 22.04 15.38 46.16 24.00 13.76 -3.31 22.23 21.14 -0.55 22.44 20.59 ULMN 3 1a50_c03 TRYPTOPHAN SYNTHASE user 4 3 # 4 A 49 GLU B 194 GLU~? 20.15 O1 SO4 B 243 A 60 ASP B 201 ASP.? 28.94 O1 SO4 B 243 A 175 TYR B 197 TYR~? 17.25 O3 SO4 B 243 coo 46.10 28.27 19.27 45.48 26.99 20.84 -8.16 20.98 2.40 -10.14 20.22 2.52 coo 56.42 28.06 12.93 55.01 27.92 14.50 -6.53 20.97 -8.85 -5.67 22.23 -10.32 coo 45.02 22.04 15.38 46.16 24.00 13.76 -8.04 28.46 2.86 -10.26 29.82 3.98 1a50_c03 source 1a50 TRYPTOPHAN SYNTHASE : 4 hits 1a50_c03 naa= 3 ULMN 3 1a79_c00 TRNA ENDONUCLEASE user 1 3 # 1 A 115 TYR A 135 TYR^? 15.11 O3 SO4 A 243 A 125 HIS A 101 HIS.? 5.49 O3 SO4 A 243 A 156 LYS A 131 LYS^? 17.03 O1 SO4 A 243 coo 37.11 -19.03 58.81 39.12 -18.07 60.48 4.91 -9.76 0.70 5.77 -10.05 -1.99 coo 44.53 -22.25 60.75 45.90 -22.66 62.28 12.44 -8.38 4.91 13.10 -6.40 5.14 coo 46.42 -20.06 51.80 44.79 -19.05 56.86 16.33 -5.43 -3.31 16.51 -3.10 -9.13 ULMN 3 1a79_c00 TRNA ENDONUCLEASE user 2 3 # 2 A 115 TYR A 135 TYR^? 15.11 O3 SO4 A 243 A 125 HIS A 102 HIS^? 13.43 O1 SO4 A 243 A 156 LYS A 131 LYS^? 17.03 O1 SO4 A 243 coo 37.11 -19.03 58.81 39.12 -18.07 60.48 4.91 -9.76 0.70 5.77 -10.05 -1.99 coo 44.53 -22.25 60.75 45.90 -22.66 62.28 10.89 -12.56 -1.72 11.39 -13.56 -3.50 coo 46.42 -20.06 51.80 44.79 -19.05 56.86 16.33 -5.43 -3.31 16.51 -3.10 -9.13 ULMN 3 1a79_c00 TRNA ENDONUCLEASE user 3 3 # 3 A 115 TYR A 148 TYR^? 8.27 O1 SO4 A 243 A 125 HIS A 106 HIS^? 13.08 O1 SO4 A 243 A 156 LYS A 131 LYS^? 17.03 O1 SO4 A 243 coo 37.11 -19.03 58.81 39.12 -18.07 60.48 25.02 -3.19 2.22 22.65 -3.79 3.58 coo 44.53 -22.25 60.75 45.90 -22.66 62.28 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo 46.42 -20.06 51.80 44.79 -19.05 56.86 16.33 -5.43 -3.31 16.51 -3.10 -9.13 ULMN 3 1a79_c00 TRNA ENDONUCLEASE user 4 3 # 4 A 115 TYR A 148 TYR^? 8.27 O1 SO4 A 243 A 125 HIS A 147 HIS^? 14.45 O3 SO4 A 243 A 156 LYS A 118 LYS~? 14.73 O3 SO4 A 243 coo 37.11 -19.03 58.81 39.12 -18.07 60.48 25.02 -3.19 2.22 22.65 -3.79 3.58 coo 44.53 -22.25 60.75 45.90 -22.66 62.28 22.73 1.14 -3.20 21.31 1.29 -4.76 coo 46.42 -20.06 51.80 44.79 -19.05 56.86 25.35 9.54 0.37 20.43 7.24 0.70 ULMN 3 1a79_c00 TRNA ENDONUCLEASE user 5 3 # 5 A 115 TYR A 148 TYR^? 8.27 O1 SO4 A 243 A 125 HIS A 147 HIS^? 14.45 O3 SO4 A 243 A 156 LYS A 131 LYS^? 17.03 O1 SO4 A 243 coo 37.11 -19.03 58.81 39.12 -18.07 60.48 25.02 -3.19 2.22 22.65 -3.79 3.58 coo 44.53 -22.25 60.75 45.90 -22.66 62.28 22.73 1.14 -3.20 21.31 1.29 -4.76 coo 46.42 -20.06 51.80 44.79 -19.05 56.86 16.33 -5.43 -3.31 16.51 -3.10 -9.13 ULMN 3 1a79_c00 TRNA ENDONUCLEASE user 6 3 # 6 A 115 TYR A 148 TYR^? 8.27 O1 SO4 A 243 A 125 HIS A 147 HIS^? 14.45 O3 SO4 A 243 A 156 LYS A 211 LYS^? 6.62 O3 SO4 A 243 coo 37.11 -19.03 58.81 39.12 -18.07 60.48 25.02 -3.19 2.22 22.65 -3.79 3.58 coo 44.53 -22.25 60.75 45.90 -22.66 62.28 22.73 1.14 -3.20 21.31 1.29 -4.76 coo 46.42 -20.06 51.80 44.79 -19.05 56.86 17.59 6.59 4.81 17.28 1.50 8.69 ULMN 3 1a79_c00 TRNA ENDONUCLEASE user 7 3 # 7 A 115 TYR A 148 TYR^? 8.27 O1 SO4 A 243 A 125 HIS A 167 HIS~? -3.76 O4 SO4 A 243s A 156 LYS A 171 LYS~? 11.57 O4 SO4 A 243 coo 37.11 -19.03 58.81 39.12 -18.07 60.48 25.02 -3.19 2.22 22.65 -3.79 3.58 coo 44.53 -22.25 60.75 45.90 -22.66 62.28 20.59 -3.79 11.26 20.06 -1.97 10.36 coo 46.42 -20.06 51.80 44.79 -19.05 56.86 27.37 -6.86 13.66 24.72 -6.49 19.13 ULMN 3 1a79_c00 TRNA ENDONUCLEASE user 8 3 # 8 A 115 TYR A 222 TYR^? 7.75 O4 SO4 A 243 A 125 HIS A 147 HIS^? 14.45 O3 SO4 A 243 A 156 LYS A 118 LYS~? 14.73 O3 SO4 A 243 coo 37.11 -19.03 58.81 39.12 -18.07 60.48 23.05 0.50 5.53 21.22 0.35 7.67 coo 44.53 -22.25 60.75 45.90 -22.66 62.28 22.73 1.14 -3.20 21.31 1.29 -4.76 coo 46.42 -20.06 51.80 44.79 -19.05 56.86 25.35 9.54 0.37 20.43 7.24 0.70 ULMN 3 1a79_c00 TRNA ENDONUCLEASE user 9 3 # 9 A 115 TYR A 222 TYR^? 7.75 O4 SO4 A 243 A 125 HIS A 147 HIS^? 14.45 O3 SO4 A 243 A 156 LYS A 131 LYS^? 17.03 O1 SO4 A 243 coo 37.11 -19.03 58.81 39.12 -18.07 60.48 23.05 0.50 5.53 21.22 0.35 7.67 coo 44.53 -22.25 60.75 45.90 -22.66 62.28 22.73 1.14 -3.20 21.31 1.29 -4.76 coo 46.42 -20.06 51.80 44.79 -19.05 56.86 16.33 -5.43 -3.31 16.51 -3.10 -9.13 ULMN 3 1a79_c00 TRNA ENDONUCLEASE user 10 3 # 10 A 115 TYR A 222 TYR^? 7.75 O4 SO4 A 243 A 125 HIS A 167 HIS~? -3.76 O4 SO4 A 243s A 156 LYS A 171 LYS~? 11.57 O4 SO4 A 243 coo 37.11 -19.03 58.81 39.12 -18.07 60.48 23.05 0.50 5.53 21.22 0.35 7.67 coo 44.53 -22.25 60.75 45.90 -22.66 62.28 20.59 -3.79 11.26 20.06 -1.97 10.36 coo 46.42 -20.06 51.80 44.79 -19.05 56.86 27.37 -6.86 13.66 24.72 -6.49 19.13 ULMN 3 1a79_c00 TRNA ENDONUCLEASE user 11 3 # 11 A 115 TYR B 135 TYR^? 15.04 O4 SO4 B 243 A 125 HIS B 101 HIS.? 5.53 O4 SO4 B 243 A 156 LYS B 131 LYS^? 17.11 O1 SO4 B 243 coo 37.11 -19.03 58.81 39.12 -18.07 60.48 1.17 32.43 2.94 -1.52 32.86 2.35 coo 44.53 -22.25 60.75 45.90 -22.66 62.28 1.10 31.39 11.62 1.04 29.37 12.19 coo 46.42 -20.06 51.80 44.79 -19.05 56.86 -7.93 28.07 10.94 -13.10 25.67 8.39 ULMN 3 1a79_c00 TRNA ENDONUCLEASE user 12 3 # 12 A 115 TYR B 135 TYR^? 15.04 O4 SO4 B 243 A 125 HIS B 102 HIS^? 13.40 O3 SO4 B 243 A 156 LYS B 131 LYS^? 17.11 O1 SO4 B 243 coo 37.11 -19.03 58.81 39.12 -18.07 60.48 1.17 32.43 2.94 -1.52 32.86 2.35 coo 44.53 -22.25 60.75 45.90 -22.66 62.28 -4.13 35.26 6.99 -5.90 36.34 6.69 coo 46.42 -20.06 51.80 44.79 -19.05 56.86 -7.93 28.07 10.94 -13.10 25.67 8.39 ULMN 3 1a79_c00 TRNA ENDONUCLEASE user 13 3 # 13 A 115 TYR B 148 TYR^? 8.32 O1 SO4 B 243 A 125 HIS B 106 HIS^? 13.01 O3 SO4 B 243 A 156 LYS B 131 LYS^? 17.11 O1 SO4 B 243 coo 37.11 -19.03 58.81 39.12 -18.07 60.48 -7.17 25.88 21.30 -4.84 26.54 19.90 coo 44.53 -22.25 60.75 45.90 -22.66 62.28 -11.40 33.04 16.07 -11.74 35.05 16.56 coo 46.42 -20.06 51.80 44.79 -19.05 56.86 -7.93 28.07 10.94 -13.10 25.67 8.39 ULMN 3 1a79_c00 TRNA ENDONUCLEASE user 14 3 # 14 A 115 TYR B 148 TYR^? 8.32 O1 SO4 B 243 A 125 HIS B 147 HIS^? 14.18 O1 SO4 B 243 A 156 LYS B 118 LYS~? 15.88 O1 SO4 B 243 coo 37.11 -19.03 58.81 39.12 -18.07 60.48 -7.17 25.88 21.30 -4.84 26.54 19.90 coo 44.53 -22.25 60.75 45.90 -22.66 62.28 -10.85 21.55 16.70 -11.51 21.37 14.71 coo 46.42 -20.06 51.80 44.79 -19.05 56.86 -8.85 13.11 20.72 -7.39 14.71 15.31 ULMN 3 1a79_c00 TRNA ENDONUCLEASE user 15 3 # 15 A 115 TYR B 148 TYR^? 8.32 O1 SO4 B 243 A 125 HIS B 147 HIS^? 14.18 O1 SO4 B 243 A 156 LYS B 131 LYS^? 17.11 O1 SO4 B 243 coo 37.11 -19.03 58.81 39.12 -18.07 60.48 -7.17 25.88 21.30 -4.84 26.54 19.90 coo 44.53 -22.25 60.75 45.90 -22.66 62.28 -10.85 21.55 16.70 -11.51 21.37 14.71 coo 46.42 -20.06 51.80 44.79 -19.05 56.86 -7.93 28.07 10.94 -13.10 25.67 8.39 ULMN 3 1a79_c00 TRNA ENDONUCLEASE user 16 3 # 16 A 115 TYR B 148 TYR^? 8.32 O1 SO4 B 243 A 125 HIS B 147 HIS^? 14.18 O1 SO4 B 243 A 156 LYS B 211 LYS^? 7.04 O1 SO4 B 243 coo 37.11 -19.03 58.81 39.12 -18.07 60.48 -7.17 25.88 21.30 -4.84 26.54 19.90 coo 44.53 -22.25 60.75 45.90 -22.66 62.28 -10.85 21.55 16.70 -11.51 21.37 14.71 coo 46.42 -20.06 51.80 44.79 -19.05 56.86 -1.16 16.10 16.00 2.65 20.89 17.79 ULMN 3 1a79_c00 TRNA ENDONUCLEASE user 17 3 # 17 A 115 TYR B 148 TYR^? 8.32 O1 SO4 B 243 A 125 HIS B 167 HIS~? -3.98 O2 SO4 B 243s A 156 LYS B 171 LYS~? 11.43 O2 SO4 B 243 coo 37.11 -19.03 58.81 39.12 -18.07 60.48 -7.17 25.88 21.30 -4.84 26.54 19.90 coo 44.53 -22.25 60.75 45.90 -22.66 62.28 2.71 26.62 21.63 2.19 24.83 20.66 coo 46.42 -20.06 51.80 44.79 -19.05 56.86 1.64 29.57 28.97 7.88 29.77 29.01 ULMN 3 1a79_c00 TRNA ENDONUCLEASE user 18 3 # 18 A 115 TYR B 222 TYR^? 7.39 O1 SO4 B 243 A 125 HIS B 147 HIS^? 14.18 O1 SO4 B 243 A 156 LYS B 118 LYS~? 15.88 O1 SO4 B 243 coo 37.11 -19.03 58.81 39.12 -18.07 60.48 -3.31 22.23 21.14 -0.55 22.44 20.59 coo 44.53 -22.25 60.75 45.90 -22.66 62.28 -10.85 21.55 16.70 -11.51 21.37 14.71 coo 46.42 -20.06 51.80 44.79 -19.05 56.86 -8.85 13.11 20.72 -7.39 14.71 15.31 ULMN 3 1a79_c00 TRNA ENDONUCLEASE user 19 3 # 19 A 115 TYR B 222 TYR^? 7.39 O1 SO4 B 243 A 125 HIS B 147 HIS^? 14.18 O1 SO4 B 243 A 156 LYS B 131 LYS^? 17.11 O1 SO4 B 243 coo 37.11 -19.03 58.81 39.12 -18.07 60.48 -3.31 22.23 21.14 -0.55 22.44 20.59 coo 44.53 -22.25 60.75 45.90 -22.66 62.28 -10.85 21.55 16.70 -11.51 21.37 14.71 coo 46.42 -20.06 51.80 44.79 -19.05 56.86 -7.93 28.07 10.94 -13.10 25.67 8.39 ULMN 3 1a79_c00 TRNA ENDONUCLEASE user 20 3 # 20 A 115 TYR B 222 TYR^? 7.39 O1 SO4 B 243 A 125 HIS B 167 HIS~? -3.98 O2 SO4 B 243s A 156 LYS B 171 LYS~? 11.43 O2 SO4 B 243 coo 37.11 -19.03 58.81 39.12 -18.07 60.48 -3.31 22.23 21.14 -0.55 22.44 20.59 coo 44.53 -22.25 60.75 45.90 -22.66 62.28 2.71 26.62 21.63 2.19 24.83 20.66 coo 46.42 -20.06 51.80 44.79 -19.05 56.86 1.64 29.57 28.97 7.88 29.77 29.01 1a79_c00 source 1a79 TRNA ENDONUCLEASE : 20 hits 1a79_c00 naa= 3 ULMN 3 1a79_c01 TRNA ENDONUCLEASE user 1 3 # 1 B 115 TYR A 135 TYR^? 15.11 O3 SO4 A 243 B 125 HIS A 101 HIS.? 5.49 O3 SO4 A 243 B 156 LYS A 131 LYS^? 17.03 O1 SO4 A 243 coo 52.78 -23.08 19.46 51.79 -21.72 17.22 4.91 -9.76 0.70 5.77 -10.05 -1.99 coo 45.10 -24.12 17.42 43.96 -24.36 15.67 12.44 -8.38 4.91 13.10 -6.40 5.14 coo 43.97 -19.59 26.02 45.10 -20.27 21.16 16.33 -5.43 -3.31 16.51 -3.10 -9.13 ULMN 3 1a79_c01 TRNA ENDONUCLEASE user 2 3 # 2 B 115 TYR A 135 TYR^? 15.11 O3 SO4 A 243 B 125 HIS A 102 HIS^? 13.43 O1 SO4 A 243 B 156 LYS A 131 LYS^? 17.03 O1 SO4 A 243 coo 52.78 -23.08 19.46 51.79 -21.72 17.22 4.91 -9.76 0.70 5.77 -10.05 -1.99 coo 45.10 -24.12 17.42 43.96 -24.36 15.67 10.89 -12.56 -1.72 11.39 -13.56 -3.50 coo 43.97 -19.59 26.02 45.10 -20.27 21.16 16.33 -5.43 -3.31 16.51 -3.10 -9.13 ULMN 3 1a79_c01 TRNA ENDONUCLEASE user 3 3 # 3 B 115 TYR A 148 TYR^? 8.27 O1 SO4 A 243 B 125 HIS A 106 HIS^? 13.08 O1 SO4 A 243 B 156 LYS A 131 LYS^? 17.03 O1 SO4 A 243 coo 52.78 -23.08 19.46 51.79 -21.72 17.22 25.02 -3.19 2.22 22.65 -3.79 3.58 coo 45.10 -24.12 17.42 43.96 -24.36 15.67 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo 43.97 -19.59 26.02 45.10 -20.27 21.16 16.33 -5.43 -3.31 16.51 -3.10 -9.13 ULMN 3 1a79_c01 TRNA ENDONUCLEASE user 4 3 # 4 B 115 TYR A 148 TYR^? 8.27 O1 SO4 A 243 B 125 HIS A 147 HIS^? 14.45 O3 SO4 A 243 B 156 LYS A 118 LYS~? 14.73 O3 SO4 A 243 coo 52.78 -23.08 19.46 51.79 -21.72 17.22 25.02 -3.19 2.22 22.65 -3.79 3.58 coo 45.10 -24.12 17.42 43.96 -24.36 15.67 22.73 1.14 -3.20 21.31 1.29 -4.76 coo 43.97 -19.59 26.02 45.10 -20.27 21.16 25.35 9.54 0.37 20.43 7.24 0.70 ULMN 3 1a79_c01 TRNA ENDONUCLEASE user 5 3 # 5 B 115 TYR A 148 TYR^? 8.27 O1 SO4 A 243 B 125 HIS A 147 HIS^? 14.45 O3 SO4 A 243 B 156 LYS A 131 LYS^? 17.03 O1 SO4 A 243 coo 52.78 -23.08 19.46 51.79 -21.72 17.22 25.02 -3.19 2.22 22.65 -3.79 3.58 coo 45.10 -24.12 17.42 43.96 -24.36 15.67 22.73 1.14 -3.20 21.31 1.29 -4.76 coo 43.97 -19.59 26.02 45.10 -20.27 21.16 16.33 -5.43 -3.31 16.51 -3.10 -9.13 ULMN 3 1a79_c01 TRNA ENDONUCLEASE user 6 3 # 6 B 115 TYR A 148 TYR^? 8.27 O1 SO4 A 243 B 125 HIS A 147 HIS^? 14.45 O3 SO4 A 243 B 156 LYS A 211 LYS^? 6.62 O3 SO4 A 243 coo 52.78 -23.08 19.46 51.79 -21.72 17.22 25.02 -3.19 2.22 22.65 -3.79 3.58 coo 45.10 -24.12 17.42 43.96 -24.36 15.67 22.73 1.14 -3.20 21.31 1.29 -4.76 coo 43.97 -19.59 26.02 45.10 -20.27 21.16 17.59 6.59 4.81 17.28 1.50 8.69 ULMN 3 1a79_c01 TRNA ENDONUCLEASE user 7 3 # 7 B 115 TYR A 222 TYR^? 7.75 O4 SO4 A 243 B 125 HIS A 147 HIS^? 14.45 O3 SO4 A 243 B 156 LYS A 118 LYS~? 14.73 O3 SO4 A 243 coo 52.78 -23.08 19.46 51.79 -21.72 17.22 23.05 0.50 5.53 21.22 0.35 7.67 coo 45.10 -24.12 17.42 43.96 -24.36 15.67 22.73 1.14 -3.20 21.31 1.29 -4.76 coo 43.97 -19.59 26.02 45.10 -20.27 21.16 25.35 9.54 0.37 20.43 7.24 0.70 ULMN 3 1a79_c01 TRNA ENDONUCLEASE user 8 3 # 8 B 115 TYR A 222 TYR^? 7.75 O4 SO4 A 243 B 125 HIS A 147 HIS^? 14.45 O3 SO4 A 243 B 156 LYS A 131 LYS^? 17.03 O1 SO4 A 243 coo 52.78 -23.08 19.46 51.79 -21.72 17.22 23.05 0.50 5.53 21.22 0.35 7.67 coo 45.10 -24.12 17.42 43.96 -24.36 15.67 22.73 1.14 -3.20 21.31 1.29 -4.76 coo 43.97 -19.59 26.02 45.10 -20.27 21.16 16.33 -5.43 -3.31 16.51 -3.10 -9.13 ULMN 3 1a79_c01 TRNA ENDONUCLEASE user 9 3 # 9 B 115 TYR A 222 TYR^? 7.75 O4 SO4 A 243 B 125 HIS A 167 HIS~? -3.76 O4 SO4 A 243s B 156 LYS A 171 LYS~? 11.57 O4 SO4 A 243 coo 52.78 -23.08 19.46 51.79 -21.72 17.22 23.05 0.50 5.53 21.22 0.35 7.67 coo 45.10 -24.12 17.42 43.96 -24.36 15.67 20.59 -3.79 11.26 20.06 -1.97 10.36 coo 43.97 -19.59 26.02 45.10 -20.27 21.16 27.37 -6.86 13.66 24.72 -6.49 19.13 ULMN 3 1a79_c01 TRNA ENDONUCLEASE user 10 3 # 10 B 115 TYR B 135 TYR^? 15.04 O4 SO4 B 243 B 125 HIS B 101 HIS.? 5.53 O4 SO4 B 243 B 156 LYS B 131 LYS^? 17.11 O1 SO4 B 243 coo 52.78 -23.08 19.46 51.79 -21.72 17.22 1.17 32.43 2.94 -1.52 32.86 2.35 coo 45.10 -24.12 17.42 43.96 -24.36 15.67 1.10 31.39 11.62 1.04 29.37 12.19 coo 43.97 -19.59 26.02 45.10 -20.27 21.16 -7.93 28.07 10.94 -13.10 25.67 8.39 ULMN 3 1a79_c01 TRNA ENDONUCLEASE user 11 3 # 11 B 115 TYR B 135 TYR^? 15.04 O4 SO4 B 243 B 125 HIS B 102 HIS^? 13.40 O3 SO4 B 243 B 156 LYS B 131 LYS^? 17.11 O1 SO4 B 243 coo 52.78 -23.08 19.46 51.79 -21.72 17.22 1.17 32.43 2.94 -1.52 32.86 2.35 coo 45.10 -24.12 17.42 43.96 -24.36 15.67 -4.13 35.26 6.99 -5.90 36.34 6.69 coo 43.97 -19.59 26.02 45.10 -20.27 21.16 -7.93 28.07 10.94 -13.10 25.67 8.39 ULMN 3 1a79_c01 TRNA ENDONUCLEASE user 12 3 # 12 B 115 TYR B 148 TYR^? 8.32 O1 SO4 B 243 B 125 HIS B 106 HIS^? 13.01 O3 SO4 B 243 B 156 LYS B 131 LYS^? 17.11 O1 SO4 B 243 coo 52.78 -23.08 19.46 51.79 -21.72 17.22 -7.17 25.88 21.30 -4.84 26.54 19.90 coo 45.10 -24.12 17.42 43.96 -24.36 15.67 -11.40 33.04 16.07 -11.74 35.05 16.56 coo 43.97 -19.59 26.02 45.10 -20.27 21.16 -7.93 28.07 10.94 -13.10 25.67 8.39 ULMN 3 1a79_c01 TRNA ENDONUCLEASE user 13 3 # 13 B 115 TYR B 148 TYR^? 8.32 O1 SO4 B 243 B 125 HIS B 147 HIS^? 14.18 O1 SO4 B 243 B 156 LYS B 118 LYS~? 15.88 O1 SO4 B 243 coo 52.78 -23.08 19.46 51.79 -21.72 17.22 -7.17 25.88 21.30 -4.84 26.54 19.90 coo 45.10 -24.12 17.42 43.96 -24.36 15.67 -10.85 21.55 16.70 -11.51 21.37 14.71 coo 43.97 -19.59 26.02 45.10 -20.27 21.16 -8.85 13.11 20.72 -7.39 14.71 15.31 ULMN 3 1a79_c01 TRNA ENDONUCLEASE user 14 3 # 14 B 115 TYR B 148 TYR^? 8.32 O1 SO4 B 243 B 125 HIS B 147 HIS^? 14.18 O1 SO4 B 243 B 156 LYS B 131 LYS^? 17.11 O1 SO4 B 243 coo 52.78 -23.08 19.46 51.79 -21.72 17.22 -7.17 25.88 21.30 -4.84 26.54 19.90 coo 45.10 -24.12 17.42 43.96 -24.36 15.67 -10.85 21.55 16.70 -11.51 21.37 14.71 coo 43.97 -19.59 26.02 45.10 -20.27 21.16 -7.93 28.07 10.94 -13.10 25.67 8.39 ULMN 3 1a79_c01 TRNA ENDONUCLEASE user 15 3 # 15 B 115 TYR B 148 TYR^? 8.32 O1 SO4 B 243 B 125 HIS B 147 HIS^? 14.18 O1 SO4 B 243 B 156 LYS B 211 LYS^? 7.04 O1 SO4 B 243 coo 52.78 -23.08 19.46 51.79 -21.72 17.22 -7.17 25.88 21.30 -4.84 26.54 19.90 coo 45.10 -24.12 17.42 43.96 -24.36 15.67 -10.85 21.55 16.70 -11.51 21.37 14.71 coo 43.97 -19.59 26.02 45.10 -20.27 21.16 -1.16 16.10 16.00 2.65 20.89 17.79 ULMN 3 1a79_c01 TRNA ENDONUCLEASE user 16 3 # 16 B 115 TYR B 148 TYR^? 8.32 O1 SO4 B 243 B 125 HIS B 167 HIS~? -3.98 O2 SO4 B 243s B 156 LYS B 171 LYS~? 11.43 O2 SO4 B 243 coo 52.78 -23.08 19.46 51.79 -21.72 17.22 -7.17 25.88 21.30 -4.84 26.54 19.90 coo 45.10 -24.12 17.42 43.96 -24.36 15.67 2.71 26.62 21.63 2.19 24.83 20.66 coo 43.97 -19.59 26.02 45.10 -20.27 21.16 1.64 29.57 28.97 7.88 29.77 29.01 ULMN 3 1a79_c01 TRNA ENDONUCLEASE user 17 3 # 17 B 115 TYR B 222 TYR^? 7.39 O1 SO4 B 243 B 125 HIS B 147 HIS^? 14.18 O1 SO4 B 243 B 156 LYS B 118 LYS~? 15.88 O1 SO4 B 243 coo 52.78 -23.08 19.46 51.79 -21.72 17.22 -3.31 22.23 21.14 -0.55 22.44 20.59 coo 45.10 -24.12 17.42 43.96 -24.36 15.67 -10.85 21.55 16.70 -11.51 21.37 14.71 coo 43.97 -19.59 26.02 45.10 -20.27 21.16 -8.85 13.11 20.72 -7.39 14.71 15.31 ULMN 3 1a79_c01 TRNA ENDONUCLEASE user 18 3 # 18 B 115 TYR B 222 TYR^? 7.39 O1 SO4 B 243 B 125 HIS B 147 HIS^? 14.18 O1 SO4 B 243 B 156 LYS B 131 LYS^? 17.11 O1 SO4 B 243 coo 52.78 -23.08 19.46 51.79 -21.72 17.22 -3.31 22.23 21.14 -0.55 22.44 20.59 coo 45.10 -24.12 17.42 43.96 -24.36 15.67 -10.85 21.55 16.70 -11.51 21.37 14.71 coo 43.97 -19.59 26.02 45.10 -20.27 21.16 -7.93 28.07 10.94 -13.10 25.67 8.39 ULMN 3 1a79_c01 TRNA ENDONUCLEASE user 19 3 # 19 B 115 TYR B 222 TYR^? 7.39 O1 SO4 B 243 B 125 HIS B 167 HIS~? -3.98 O2 SO4 B 243s B 156 LYS B 171 LYS~? 11.43 O2 SO4 B 243 coo 52.78 -23.08 19.46 51.79 -21.72 17.22 -3.31 22.23 21.14 -0.55 22.44 20.59 coo 45.10 -24.12 17.42 43.96 -24.36 15.67 2.71 26.62 21.63 2.19 24.83 20.66 coo 43.97 -19.59 26.02 45.10 -20.27 21.16 1.64 29.57 28.97 7.88 29.77 29.01 1a79_c01 source 1a79 TRNA ENDONUCLEASE : 19 hits 1a79_c01 naa= 3 ULMN 3 1a79_c02 TRNA ENDONUCLEASE user 1 3 # 1 C 115 TYR A 135 TYR^? 15.11 O3 SO4 A 243 C 125 HIS A 101 HIS.? 5.49 O3 SO4 A 243 C 156 LYS A 131 LYS^? 17.03 O1 SO4 A 243 coo 72.53 -8.86 48.33 70.89 -10.65 46.92 4.91 -9.76 0.70 5.77 -10.05 -1.99 coo 69.12 -16.18 50.82 68.25 -17.99 50.22 12.44 -8.38 4.91 13.10 -6.40 5.14 coo 64.47 -11.13 56.60 66.23 -12.62 51.81 16.33 -5.43 -3.31 16.51 -3.10 -9.13 ULMN 3 1a79_c02 TRNA ENDONUCLEASE user 2 3 # 2 C 115 TYR A 135 TYR^? 15.11 O3 SO4 A 243 C 125 HIS A 102 HIS^? 13.43 O1 SO4 A 243 C 156 LYS A 131 LYS^? 17.03 O1 SO4 A 243 coo 72.53 -8.86 48.33 70.89 -10.65 46.92 4.91 -9.76 0.70 5.77 -10.05 -1.99 coo 69.12 -16.18 50.82 68.25 -17.99 50.22 10.89 -12.56 -1.72 11.39 -13.56 -3.50 coo 64.47 -11.13 56.60 66.23 -12.62 51.81 16.33 -5.43 -3.31 16.51 -3.10 -9.13 ULMN 3 1a79_c02 TRNA ENDONUCLEASE user 3 3 # 3 C 115 TYR A 148 TYR^? 8.27 O1 SO4 A 243 C 125 HIS A 106 HIS^? 13.08 O1 SO4 A 243 C 156 LYS A 131 LYS^? 17.03 O1 SO4 A 243 coo 72.53 -8.86 48.33 70.89 -10.65 46.92 25.02 -3.19 2.22 22.65 -3.79 3.58 coo 69.12 -16.18 50.82 68.25 -17.99 50.22 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo 64.47 -11.13 56.60 66.23 -12.62 51.81 16.33 -5.43 -3.31 16.51 -3.10 -9.13 ULMN 3 1a79_c02 TRNA ENDONUCLEASE user 4 3 # 4 C 115 TYR A 148 TYR^? 8.27 O1 SO4 A 243 C 125 HIS A 147 HIS^? 14.45 O3 SO4 A 243 C 156 LYS A 118 LYS~? 14.73 O3 SO4 A 243 coo 72.53 -8.86 48.33 70.89 -10.65 46.92 25.02 -3.19 2.22 22.65 -3.79 3.58 coo 69.12 -16.18 50.82 68.25 -17.99 50.22 22.73 1.14 -3.20 21.31 1.29 -4.76 coo 64.47 -11.13 56.60 66.23 -12.62 51.81 25.35 9.54 0.37 20.43 7.24 0.70 ULMN 3 1a79_c02 TRNA ENDONUCLEASE user 5 3 # 5 C 115 TYR A 148 TYR^? 8.27 O1 SO4 A 243 C 125 HIS A 147 HIS^? 14.45 O3 SO4 A 243 C 156 LYS A 131 LYS^? 17.03 O1 SO4 A 243 coo 72.53 -8.86 48.33 70.89 -10.65 46.92 25.02 -3.19 2.22 22.65 -3.79 3.58 coo 69.12 -16.18 50.82 68.25 -17.99 50.22 22.73 1.14 -3.20 21.31 1.29 -4.76 coo 64.47 -11.13 56.60 66.23 -12.62 51.81 16.33 -5.43 -3.31 16.51 -3.10 -9.13 ULMN 3 1a79_c02 TRNA ENDONUCLEASE user 6 3 # 6 C 115 TYR A 148 TYR^? 8.27 O1 SO4 A 243 C 125 HIS A 147 HIS^? 14.45 O3 SO4 A 243 C 156 LYS A 211 LYS^? 6.62 O3 SO4 A 243 coo 72.53 -8.86 48.33 70.89 -10.65 46.92 25.02 -3.19 2.22 22.65 -3.79 3.58 coo 69.12 -16.18 50.82 68.25 -17.99 50.22 22.73 1.14 -3.20 21.31 1.29 -4.76 coo 64.47 -11.13 56.60 66.23 -12.62 51.81 17.59 6.59 4.81 17.28 1.50 8.69 ULMN 3 1a79_c02 TRNA ENDONUCLEASE user 7 3 # 7 C 115 TYR A 148 TYR^? 8.27 O1 SO4 A 243 C 125 HIS A 167 HIS~? -3.76 O4 SO4 A 243s C 156 LYS A 171 LYS~? 11.57 O4 SO4 A 243 coo 72.53 -8.86 48.33 70.89 -10.65 46.92 25.02 -3.19 2.22 22.65 -3.79 3.58 coo 69.12 -16.18 50.82 68.25 -17.99 50.22 20.59 -3.79 11.26 20.06 -1.97 10.36 coo 64.47 -11.13 56.60 66.23 -12.62 51.81 27.37 -6.86 13.66 24.72 -6.49 19.13 ULMN 3 1a79_c02 TRNA ENDONUCLEASE user 8 3 # 8 C 115 TYR A 222 TYR^? 7.75 O4 SO4 A 243 C 125 HIS A 147 HIS^? 14.45 O3 SO4 A 243 C 156 LYS A 118 LYS~? 14.73 O3 SO4 A 243 coo 72.53 -8.86 48.33 70.89 -10.65 46.92 23.05 0.50 5.53 21.22 0.35 7.67 coo 69.12 -16.18 50.82 68.25 -17.99 50.22 22.73 1.14 -3.20 21.31 1.29 -4.76 coo 64.47 -11.13 56.60 66.23 -12.62 51.81 25.35 9.54 0.37 20.43 7.24 0.70 ULMN 3 1a79_c02 TRNA ENDONUCLEASE user 9 3 # 9 C 115 TYR A 222 TYR^? 7.75 O4 SO4 A 243 C 125 HIS A 147 HIS^? 14.45 O3 SO4 A 243 C 156 LYS A 131 LYS^? 17.03 O1 SO4 A 243 coo 72.53 -8.86 48.33 70.89 -10.65 46.92 23.05 0.50 5.53 21.22 0.35 7.67 coo 69.12 -16.18 50.82 68.25 -17.99 50.22 22.73 1.14 -3.20 21.31 1.29 -4.76 coo 64.47 -11.13 56.60 66.23 -12.62 51.81 16.33 -5.43 -3.31 16.51 -3.10 -9.13 ULMN 3 1a79_c02 TRNA ENDONUCLEASE user 10 3 # 10 C 115 TYR A 222 TYR^? 7.75 O4 SO4 A 243 C 125 HIS A 167 HIS~? -3.76 O4 SO4 A 243s C 156 LYS A 171 LYS~? 11.57 O4 SO4 A 243 coo 72.53 -8.86 48.33 70.89 -10.65 46.92 23.05 0.50 5.53 21.22 0.35 7.67 coo 69.12 -16.18 50.82 68.25 -17.99 50.22 20.59 -3.79 11.26 20.06 -1.97 10.36 coo 64.47 -11.13 56.60 66.23 -12.62 51.81 27.37 -6.86 13.66 24.72 -6.49 19.13 ULMN 3 1a79_c02 TRNA ENDONUCLEASE user 11 3 # 11 C 115 TYR B 135 TYR^? 15.04 O4 SO4 B 243 C 125 HIS B 101 HIS.? 5.53 O4 SO4 B 243 C 156 LYS B 131 LYS^? 17.11 O1 SO4 B 243 coo 72.53 -8.86 48.33 70.89 -10.65 46.92 1.17 32.43 2.94 -1.52 32.86 2.35 coo 69.12 -16.18 50.82 68.25 -17.99 50.22 1.10 31.39 11.62 1.04 29.37 12.19 coo 64.47 -11.13 56.60 66.23 -12.62 51.81 -7.93 28.07 10.94 -13.10 25.67 8.39 ULMN 3 1a79_c02 TRNA ENDONUCLEASE user 12 3 # 12 C 115 TYR B 135 TYR^? 15.04 O4 SO4 B 243 C 125 HIS B 102 HIS^? 13.40 O3 SO4 B 243 C 156 LYS B 131 LYS^? 17.11 O1 SO4 B 243 coo 72.53 -8.86 48.33 70.89 -10.65 46.92 1.17 32.43 2.94 -1.52 32.86 2.35 coo 69.12 -16.18 50.82 68.25 -17.99 50.22 -4.13 35.26 6.99 -5.90 36.34 6.69 coo 64.47 -11.13 56.60 66.23 -12.62 51.81 -7.93 28.07 10.94 -13.10 25.67 8.39 ULMN 3 1a79_c02 TRNA ENDONUCLEASE user 13 3 # 13 C 115 TYR B 148 TYR^? 8.32 O1 SO4 B 243 C 125 HIS B 106 HIS^? 13.01 O3 SO4 B 243 C 156 LYS B 131 LYS^? 17.11 O1 SO4 B 243 coo 72.53 -8.86 48.33 70.89 -10.65 46.92 -7.17 25.88 21.30 -4.84 26.54 19.90 coo 69.12 -16.18 50.82 68.25 -17.99 50.22 -11.40 33.04 16.07 -11.74 35.05 16.56 coo 64.47 -11.13 56.60 66.23 -12.62 51.81 -7.93 28.07 10.94 -13.10 25.67 8.39 ULMN 3 1a79_c02 TRNA ENDONUCLEASE user 14 3 # 14 C 115 TYR B 148 TYR^? 8.32 O1 SO4 B 243 C 125 HIS B 147 HIS^? 14.18 O1 SO4 B 243 C 156 LYS B 118 LYS~? 15.88 O1 SO4 B 243 coo 72.53 -8.86 48.33 70.89 -10.65 46.92 -7.17 25.88 21.30 -4.84 26.54 19.90 coo 69.12 -16.18 50.82 68.25 -17.99 50.22 -10.85 21.55 16.70 -11.51 21.37 14.71 coo 64.47 -11.13 56.60 66.23 -12.62 51.81 -8.85 13.11 20.72 -7.39 14.71 15.31 ULMN 3 1a79_c02 TRNA ENDONUCLEASE user 15 3 # 15 C 115 TYR B 148 TYR^? 8.32 O1 SO4 B 243 C 125 HIS B 147 HIS^? 14.18 O1 SO4 B 243 C 156 LYS B 131 LYS^? 17.11 O1 SO4 B 243 coo 72.53 -8.86 48.33 70.89 -10.65 46.92 -7.17 25.88 21.30 -4.84 26.54 19.90 coo 69.12 -16.18 50.82 68.25 -17.99 50.22 -10.85 21.55 16.70 -11.51 21.37 14.71 coo 64.47 -11.13 56.60 66.23 -12.62 51.81 -7.93 28.07 10.94 -13.10 25.67 8.39 ULMN 3 1a79_c02 TRNA ENDONUCLEASE user 16 3 # 16 C 115 TYR B 148 TYR^? 8.32 O1 SO4 B 243 C 125 HIS B 167 HIS~? -3.98 O2 SO4 B 243s C 156 LYS B 171 LYS~? 11.43 O2 SO4 B 243 coo 72.53 -8.86 48.33 70.89 -10.65 46.92 -7.17 25.88 21.30 -4.84 26.54 19.90 coo 69.12 -16.18 50.82 68.25 -17.99 50.22 2.71 26.62 21.63 2.19 24.83 20.66 coo 64.47 -11.13 56.60 66.23 -12.62 51.81 1.64 29.57 28.97 7.88 29.77 29.01 ULMN 3 1a79_c02 TRNA ENDONUCLEASE user 17 3 # 17 C 115 TYR B 222 TYR^? 7.39 O1 SO4 B 243 C 125 HIS B 147 HIS^? 14.18 O1 SO4 B 243 C 156 LYS B 118 LYS~? 15.88 O1 SO4 B 243 coo 72.53 -8.86 48.33 70.89 -10.65 46.92 -3.31 22.23 21.14 -0.55 22.44 20.59 coo 69.12 -16.18 50.82 68.25 -17.99 50.22 -10.85 21.55 16.70 -11.51 21.37 14.71 coo 64.47 -11.13 56.60 66.23 -12.62 51.81 -8.85 13.11 20.72 -7.39 14.71 15.31 ULMN 3 1a79_c02 TRNA ENDONUCLEASE user 18 3 # 18 C 115 TYR B 222 TYR^? 7.39 O1 SO4 B 243 C 125 HIS B 147 HIS^? 14.18 O1 SO4 B 243 C 156 LYS B 131 LYS^? 17.11 O1 SO4 B 243 coo 72.53 -8.86 48.33 70.89 -10.65 46.92 -3.31 22.23 21.14 -0.55 22.44 20.59 coo 69.12 -16.18 50.82 68.25 -17.99 50.22 -10.85 21.55 16.70 -11.51 21.37 14.71 coo 64.47 -11.13 56.60 66.23 -12.62 51.81 -7.93 28.07 10.94 -13.10 25.67 8.39 ULMN 3 1a79_c02 TRNA ENDONUCLEASE user 19 3 # 19 C 115 TYR B 222 TYR^? 7.39 O1 SO4 B 243 C 125 HIS B 167 HIS~? -3.98 O2 SO4 B 243s C 156 LYS B 171 LYS~? 11.43 O2 SO4 B 243 coo 72.53 -8.86 48.33 70.89 -10.65 46.92 -3.31 22.23 21.14 -0.55 22.44 20.59 coo 69.12 -16.18 50.82 68.25 -17.99 50.22 2.71 26.62 21.63 2.19 24.83 20.66 coo 64.47 -11.13 56.60 66.23 -12.62 51.81 1.64 29.57 28.97 7.88 29.77 29.01 1a79_c02 source 1a79 TRNA ENDONUCLEASE : 19 hits 1a79_c02 naa= 3 ULMN 3 1a79_c03 TRNA ENDONUCLEASE user 1 3 # 1 D 115 TYR A 135 TYR^? 15.11 O3 SO4 A 243 D 125 HIS A 101 HIS.? 5.49 O3 SO4 A 243 D 156 LYS A 131 LYS^? 17.03 O1 SO4 A 243 coo 54.10 1.42 85.16 54.14 4.17 85.62 4.91 -9.76 0.70 5.77 -10.05 -1.99 coo 61.27 5.43 85.32 62.73 6.38 86.49 12.44 -8.38 4.91 13.10 -6.40 5.14 coo 60.28 4.62 76.00 58.35 6.41 80.65 16.33 -5.43 -3.31 16.51 -3.10 -9.13 ULMN 3 1a79_c03 TRNA ENDONUCLEASE user 2 3 # 2 D 115 TYR A 135 TYR^? 15.11 O3 SO4 A 243 D 125 HIS A 102 HIS^? 13.43 O1 SO4 A 243 D 156 LYS A 131 LYS^? 17.03 O1 SO4 A 243 coo 54.10 1.42 85.16 54.14 4.17 85.62 4.91 -9.76 0.70 5.77 -10.05 -1.99 coo 61.27 5.43 85.32 62.73 6.38 86.49 10.89 -12.56 -1.72 11.39 -13.56 -3.50 coo 60.28 4.62 76.00 58.35 6.41 80.65 16.33 -5.43 -3.31 16.51 -3.10 -9.13 ULMN 3 1a79_c03 TRNA ENDONUCLEASE user 3 3 # 3 D 115 TYR A 148 TYR^? 8.27 O1 SO4 A 243 D 125 HIS A 106 HIS^? 13.08 O1 SO4 A 243 D 156 LYS A 131 LYS^? 17.03 O1 SO4 A 243 coo 54.10 1.42 85.16 54.14 4.17 85.62 25.02 -3.19 2.22 22.65 -3.79 3.58 coo 61.27 5.43 85.32 62.73 6.38 86.49 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo 60.28 4.62 76.00 58.35 6.41 80.65 16.33 -5.43 -3.31 16.51 -3.10 -9.13 ULMN 3 1a79_c03 TRNA ENDONUCLEASE user 4 3 # 4 D 115 TYR A 148 TYR^? 8.27 O1 SO4 A 243 D 125 HIS A 147 HIS^? 14.45 O3 SO4 A 243 D 156 LYS A 118 LYS~? 14.73 O3 SO4 A 243 coo 54.10 1.42 85.16 54.14 4.17 85.62 25.02 -3.19 2.22 22.65 -3.79 3.58 coo 61.27 5.43 85.32 62.73 6.38 86.49 22.73 1.14 -3.20 21.31 1.29 -4.76 coo 60.28 4.62 76.00 58.35 6.41 80.65 25.35 9.54 0.37 20.43 7.24 0.70 ULMN 3 1a79_c03 TRNA ENDONUCLEASE user 5 3 # 5 D 115 TYR A 148 TYR^? 8.27 O1 SO4 A 243 D 125 HIS A 147 HIS^? 14.45 O3 SO4 A 243 D 156 LYS A 131 LYS^? 17.03 O1 SO4 A 243 coo 54.10 1.42 85.16 54.14 4.17 85.62 25.02 -3.19 2.22 22.65 -3.79 3.58 coo 61.27 5.43 85.32 62.73 6.38 86.49 22.73 1.14 -3.20 21.31 1.29 -4.76 coo 60.28 4.62 76.00 58.35 6.41 80.65 16.33 -5.43 -3.31 16.51 -3.10 -9.13 ULMN 3 1a79_c03 TRNA ENDONUCLEASE user 6 3 # 6 D 115 TYR A 148 TYR^? 8.27 O1 SO4 A 243 D 125 HIS A 147 HIS^? 14.45 O3 SO4 A 243 D 156 LYS A 211 LYS^? 6.62 O3 SO4 A 243 coo 54.10 1.42 85.16 54.14 4.17 85.62 25.02 -3.19 2.22 22.65 -3.79 3.58 coo 61.27 5.43 85.32 62.73 6.38 86.49 22.73 1.14 -3.20 21.31 1.29 -4.76 coo 60.28 4.62 76.00 58.35 6.41 80.65 17.59 6.59 4.81 17.28 1.50 8.69 ULMN 3 1a79_c03 TRNA ENDONUCLEASE user 7 3 # 7 D 115 TYR A 148 TYR^? 8.27 O1 SO4 A 243 D 125 HIS A 167 HIS~? -3.76 O4 SO4 A 243s D 156 LYS A 171 LYS~? 11.57 O4 SO4 A 243 coo 54.10 1.42 85.16 54.14 4.17 85.62 25.02 -3.19 2.22 22.65 -3.79 3.58 coo 61.27 5.43 85.32 62.73 6.38 86.49 20.59 -3.79 11.26 20.06 -1.97 10.36 coo 60.28 4.62 76.00 58.35 6.41 80.65 27.37 -6.86 13.66 24.72 -6.49 19.13 ULMN 3 1a79_c03 TRNA ENDONUCLEASE user 8 3 # 8 D 115 TYR A 222 TYR^? 7.75 O4 SO4 A 243 D 125 HIS A 147 HIS^? 14.45 O3 SO4 A 243 D 156 LYS A 118 LYS~? 14.73 O3 SO4 A 243 coo 54.10 1.42 85.16 54.14 4.17 85.62 23.05 0.50 5.53 21.22 0.35 7.67 coo 61.27 5.43 85.32 62.73 6.38 86.49 22.73 1.14 -3.20 21.31 1.29 -4.76 coo 60.28 4.62 76.00 58.35 6.41 80.65 25.35 9.54 0.37 20.43 7.24 0.70 ULMN 3 1a79_c03 TRNA ENDONUCLEASE user 9 3 # 9 D 115 TYR A 222 TYR^? 7.75 O4 SO4 A 243 D 125 HIS A 147 HIS^? 14.45 O3 SO4 A 243 D 156 LYS A 131 LYS^? 17.03 O1 SO4 A 243 coo 54.10 1.42 85.16 54.14 4.17 85.62 23.05 0.50 5.53 21.22 0.35 7.67 coo 61.27 5.43 85.32 62.73 6.38 86.49 22.73 1.14 -3.20 21.31 1.29 -4.76 coo 60.28 4.62 76.00 58.35 6.41 80.65 16.33 -5.43 -3.31 16.51 -3.10 -9.13 ULMN 3 1a79_c03 TRNA ENDONUCLEASE user 10 3 # 10 D 115 TYR A 222 TYR^? 7.75 O4 SO4 A 243 D 125 HIS A 167 HIS~? -3.76 O4 SO4 A 243s D 156 LYS A 171 LYS~? 11.57 O4 SO4 A 243 coo 54.10 1.42 85.16 54.14 4.17 85.62 23.05 0.50 5.53 21.22 0.35 7.67 coo 61.27 5.43 85.32 62.73 6.38 86.49 20.59 -3.79 11.26 20.06 -1.97 10.36 coo 60.28 4.62 76.00 58.35 6.41 80.65 27.37 -6.86 13.66 24.72 -6.49 19.13 ULMN 3 1a79_c03 TRNA ENDONUCLEASE user 11 3 # 11 D 115 TYR B 135 TYR^? 15.04 O4 SO4 B 243 D 125 HIS B 101 HIS.? 5.53 O4 SO4 B 243 D 156 LYS B 131 LYS^? 17.11 O1 SO4 B 243 coo 54.10 1.42 85.16 54.14 4.17 85.62 1.17 32.43 2.94 -1.52 32.86 2.35 coo 61.27 5.43 85.32 62.73 6.38 86.49 1.10 31.39 11.62 1.04 29.37 12.19 coo 60.28 4.62 76.00 58.35 6.41 80.65 -7.93 28.07 10.94 -13.10 25.67 8.39 ULMN 3 1a79_c03 TRNA ENDONUCLEASE user 12 3 # 12 D 115 TYR B 135 TYR^? 15.04 O4 SO4 B 243 D 125 HIS B 102 HIS^? 13.40 O3 SO4 B 243 D 156 LYS B 131 LYS^? 17.11 O1 SO4 B 243 coo 54.10 1.42 85.16 54.14 4.17 85.62 1.17 32.43 2.94 -1.52 32.86 2.35 coo 61.27 5.43 85.32 62.73 6.38 86.49 -4.13 35.26 6.99 -5.90 36.34 6.69 coo 60.28 4.62 76.00 58.35 6.41 80.65 -7.93 28.07 10.94 -13.10 25.67 8.39 ULMN 3 1a79_c03 TRNA ENDONUCLEASE user 13 3 # 13 D 115 TYR B 148 TYR^? 8.32 O1 SO4 B 243 D 125 HIS B 106 HIS^? 13.01 O3 SO4 B 243 D 156 LYS B 131 LYS^? 17.11 O1 SO4 B 243 coo 54.10 1.42 85.16 54.14 4.17 85.62 -7.17 25.88 21.30 -4.84 26.54 19.90 coo 61.27 5.43 85.32 62.73 6.38 86.49 -11.40 33.04 16.07 -11.74 35.05 16.56 coo 60.28 4.62 76.00 58.35 6.41 80.65 -7.93 28.07 10.94 -13.10 25.67 8.39 ULMN 3 1a79_c03 TRNA ENDONUCLEASE user 14 3 # 14 D 115 TYR B 148 TYR^? 8.32 O1 SO4 B 243 D 125 HIS B 147 HIS^? 14.18 O1 SO4 B 243 D 156 LYS B 118 LYS~? 15.88 O1 SO4 B 243 coo 54.10 1.42 85.16 54.14 4.17 85.62 -7.17 25.88 21.30 -4.84 26.54 19.90 coo 61.27 5.43 85.32 62.73 6.38 86.49 -10.85 21.55 16.70 -11.51 21.37 14.71 coo 60.28 4.62 76.00 58.35 6.41 80.65 -8.85 13.11 20.72 -7.39 14.71 15.31 ULMN 3 1a79_c03 TRNA ENDONUCLEASE user 15 3 # 15 D 115 TYR B 148 TYR^? 8.32 O1 SO4 B 243 D 125 HIS B 147 HIS^? 14.18 O1 SO4 B 243 D 156 LYS B 131 LYS^? 17.11 O1 SO4 B 243 coo 54.10 1.42 85.16 54.14 4.17 85.62 -7.17 25.88 21.30 -4.84 26.54 19.90 coo 61.27 5.43 85.32 62.73 6.38 86.49 -10.85 21.55 16.70 -11.51 21.37 14.71 coo 60.28 4.62 76.00 58.35 6.41 80.65 -7.93 28.07 10.94 -13.10 25.67 8.39 ULMN 3 1a79_c03 TRNA ENDONUCLEASE user 16 3 # 16 D 115 TYR B 148 TYR^? 8.32 O1 SO4 B 243 D 125 HIS B 147 HIS^? 14.18 O1 SO4 B 243 D 156 LYS B 211 LYS^? 7.04 O1 SO4 B 243 coo 54.10 1.42 85.16 54.14 4.17 85.62 -7.17 25.88 21.30 -4.84 26.54 19.90 coo 61.27 5.43 85.32 62.73 6.38 86.49 -10.85 21.55 16.70 -11.51 21.37 14.71 coo 60.28 4.62 76.00 58.35 6.41 80.65 -1.16 16.10 16.00 2.65 20.89 17.79 ULMN 3 1a79_c03 TRNA ENDONUCLEASE user 17 3 # 17 D 115 TYR B 148 TYR^? 8.32 O1 SO4 B 243 D 125 HIS B 167 HIS~? -3.98 O2 SO4 B 243s D 156 LYS B 171 LYS~? 11.43 O2 SO4 B 243 coo 54.10 1.42 85.16 54.14 4.17 85.62 -7.17 25.88 21.30 -4.84 26.54 19.90 coo 61.27 5.43 85.32 62.73 6.38 86.49 2.71 26.62 21.63 2.19 24.83 20.66 coo 60.28 4.62 76.00 58.35 6.41 80.65 1.64 29.57 28.97 7.88 29.77 29.01 ULMN 3 1a79_c03 TRNA ENDONUCLEASE user 18 3 # 18 D 115 TYR B 222 TYR^? 7.39 O1 SO4 B 243 D 125 HIS B 147 HIS^? 14.18 O1 SO4 B 243 D 156 LYS B 118 LYS~? 15.88 O1 SO4 B 243 coo 54.10 1.42 85.16 54.14 4.17 85.62 -3.31 22.23 21.14 -0.55 22.44 20.59 coo 61.27 5.43 85.32 62.73 6.38 86.49 -10.85 21.55 16.70 -11.51 21.37 14.71 coo 60.28 4.62 76.00 58.35 6.41 80.65 -8.85 13.11 20.72 -7.39 14.71 15.31 ULMN 3 1a79_c03 TRNA ENDONUCLEASE user 19 3 # 19 D 115 TYR B 222 TYR^? 7.39 O1 SO4 B 243 D 125 HIS B 147 HIS^? 14.18 O1 SO4 B 243 D 156 LYS B 131 LYS^? 17.11 O1 SO4 B 243 coo 54.10 1.42 85.16 54.14 4.17 85.62 -3.31 22.23 21.14 -0.55 22.44 20.59 coo 61.27 5.43 85.32 62.73 6.38 86.49 -10.85 21.55 16.70 -11.51 21.37 14.71 coo 60.28 4.62 76.00 58.35 6.41 80.65 -7.93 28.07 10.94 -13.10 25.67 8.39 ULMN 3 1a79_c03 TRNA ENDONUCLEASE user 20 3 # 20 D 115 TYR B 222 TYR^? 7.39 O1 SO4 B 243 D 125 HIS B 167 HIS~? -3.98 O2 SO4 B 243s D 156 LYS B 171 LYS~? 11.43 O2 SO4 B 243 coo 54.10 1.42 85.16 54.14 4.17 85.62 -3.31 22.23 21.14 -0.55 22.44 20.59 coo 61.27 5.43 85.32 62.73 6.38 86.49 2.71 26.62 21.63 2.19 24.83 20.66 coo 60.28 4.62 76.00 58.35 6.41 80.65 1.64 29.57 28.97 7.88 29.77 29.01 1a79_c03 source 1a79 TRNA ENDONUCLEASE : 20 hits 1a79_c03 naa= 3 ULMN 3 1a7u_c02 CHLOROPEROXIDASE T user 1 3 # 1 A 98 SER A 105 SER^? 14.75 O1 SO4 A 243 A 228 ASP A 157 ASP~? 15.53 O1 SO4 A 243 A 257 HIS A 106 HIS^? 13.08 O1 SO4 A 243 coo 9.47 41.64 34.15 9.10 39.28 33.93 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo 2.03 38.95 28.44 3.60 38.60 29.83 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo 6.85 37.62 29.99 7.50 38.47 31.78 22.50 -10.50 -3.88 23.13 -12.51 -3.91 ULMN 3 1a7u_c02 CHLOROPEROXIDASE T user 2 3 # 2 A 98 SER B 105 SER^? 14.66 O3 SO4 B 243 A 228 ASP B 157 ASP~? 15.61 O3 SO4 B 243 A 257 HIS B 106 HIS^? 13.01 O3 SO4 B 243 coo 9.47 41.64 34.15 9.10 39.28 33.93 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 2.03 38.95 28.44 3.60 38.60 29.83 -12.32 32.41 21.01 -13.75 33.02 22.44 coo 6.85 37.62 29.99 7.50 38.47 31.78 -11.40 33.04 16.07 -11.74 35.05 16.56 1a7u_c02 source 1a7u CHLOROPEROXIDASE T : 2 hits 1a7u_c02 naa= 3 ULMN 3 1a7u_c03 CHLOROPEROXIDASE T user 1 3 # 1 B 98 SER A 105 SER^? 14.75 O1 SO4 A 243 B 228 ASP A 157 ASP~? 15.53 O1 SO4 A 243 B 257 HIS A 106 HIS^? 13.08 O1 SO4 A 243 coo 28.35 71.07 3.94 30.08 69.46 4.49 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo 31.11 65.98 -3.92 31.07 66.41 -1.82 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo 32.76 68.02 0.70 31.21 68.44 2.05 22.50 -10.50 -3.88 23.13 -12.51 -3.91 ULMN 3 1a7u_c03 CHLOROPEROXIDASE T user 2 3 # 2 B 98 SER B 105 SER^? 14.66 O3 SO4 B 243 B 228 ASP B 157 ASP~? 15.61 O3 SO4 B 243 B 257 HIS B 106 HIS^? 13.01 O3 SO4 B 243 coo 28.35 71.07 3.94 30.08 69.46 4.49 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 31.11 65.98 -3.92 31.07 66.41 -1.82 -12.32 32.41 21.01 -13.75 33.02 22.44 coo 32.76 68.02 0.70 31.21 68.44 2.05 -11.40 33.04 16.07 -11.74 35.05 16.56 1a7u_c03 source 1a7u CHLOROPEROXIDASE T : 2 hits 1a7u_c03 naa= 3 ULMN 3 1a8q_c00 BROMOPEROXIDASE A1 user 1 3 # 1 94 SER A 105 SER^? 14.75 O1 SO4 A 243 223 ASP A 157 ASP~? 15.53 O1 SO4 A 243 252 HIS A 106 HIS^? 13.08 O1 SO4 A 243 coo 40.95 0.07 3.20 39.54 1.39 4.66 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo 42.66 -2.61 12.07 41.85 -1.47 10.53 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo 41.54 1.64 9.09 40.82 1.05 7.19 22.50 -10.50 -3.88 23.13 -12.51 -3.91 ULMN 3 1a8q_c00 BROMOPEROXIDASE A1 user 2 3 # 2 94 SER B 105 SER^? 14.66 O3 SO4 B 243 223 ASP B 157 ASP~? 15.61 O3 SO4 B 243 252 HIS B 106 HIS^? 13.01 O3 SO4 B 243 coo 40.95 0.07 3.20 39.54 1.39 4.66 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 42.66 -2.61 12.07 41.85 -1.47 10.53 -12.32 32.41 21.01 -13.75 33.02 22.44 coo 41.54 1.64 9.09 40.82 1.05 7.19 -11.40 33.04 16.07 -11.74 35.05 16.56 1a8q_c00 source 1a8q BROMOPEROXIDASE A1 : 2 hits 1a8q_c00 naa= 3 ULMN 3 1a8s_c00 CHLOROPEROXIDASE F user 1 3 # 1 94 SER A 105 SER^? 14.75 O1 SO4 A 243 224 ASP A 157 ASP~? 15.53 O1 SO4 A 243 253 HIS A 106 HIS^? 13.08 O1 SO4 A 243 coo 16.00 80.13 58.60 16.16 82.12 59.96 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo 8.47 84.84 62.27 10.52 84.40 62.08 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo 13.14 83.03 63.68 14.37 82.62 62.02 22.50 -10.50 -3.88 23.13 -12.51 -3.91 ULMN 3 1a8s_c00 CHLOROPEROXIDASE F user 2 3 # 2 94 SER B 105 SER^? 14.66 O3 SO4 B 243 224 ASP B 157 ASP~? 15.61 O3 SO4 B 243 253 HIS B 106 HIS^? 13.01 O3 SO4 B 243 coo 16.00 80.13 58.60 16.16 82.12 59.96 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 8.47 84.84 62.27 10.52 84.40 62.08 -12.32 32.41 21.01 -13.75 33.02 22.44 coo 13.14 83.03 63.68 14.37 82.62 62.02 -11.40 33.04 16.07 -11.74 35.05 16.56 1a8s_c00 source 1a8s CHLOROPEROXIDASE F : 2 hits 1a8s_c00 naa= 3 ULMN 3 1aa6_c01 FORMATE DEHYDROGENASE H user 1 3 # 1 44 LYS A 118 LYS~? 14.73 O3 SO4 A 243 141 HIS A 101 HIS.? 5.49 O3 SO4 A 243 333 ARG A 132 ARG^? -2.74 O1 SO4 A 243s coo 69.56 26.03 31.04 72.53 30.39 31.84 25.35 9.54 0.37 20.43 7.24 0.70 coo 85.95 39.62 33.57 84.70 40.34 35.09 12.44 -8.38 4.91 13.10 -6.40 5.14 coo 87.31 36.08 32.89 89.57 36.58 34.95 16.18 -7.91 2.07 16.78 -6.68 4.89 ULMN 3 1aa6_c01 FORMATE DEHYDROGENASE H user 2 3 # 2 44 LYS A 175 LYS~? 15.75 O4 SO4 A 243 141 HIS A 101 HIS.? 5.49 O3 SO4 A 243 333 ARG A 132 ARG^? -2.74 O1 SO4 A 243s coo 69.56 26.03 31.04 72.53 30.39 31.84 31.71 -5.61 14.13 32.23 -10.41 15.70 coo 85.95 39.62 33.57 84.70 40.34 35.09 12.44 -8.38 4.91 13.10 -6.40 5.14 coo 87.31 36.08 32.89 89.57 36.58 34.95 16.18 -7.91 2.07 16.78 -6.68 4.89 ULMN 3 1aa6_c01 FORMATE DEHYDROGENASE H user 3 3 # 3 44 LYS A 183 LYS^? 12.80 O3 SO4 A 243 141 HIS A 229 HIS^? 22.39 O3 SO4 A 243 333 ARG A 232 ARG.? 20.27 O3 SO4 A 243 coo 69.56 26.03 31.04 72.53 30.39 31.84 15.64 9.91 6.99 14.95 7.19 11.14 coo 85.95 39.62 33.57 84.70 40.34 35.09 -0.05 2.05 -3.08 -1.62 2.78 -4.27 coo 87.31 36.08 32.89 89.57 36.58 34.95 -0.55 -1.37 -0.24 0.04 -2.25 -3.11 ULMN 3 1aa6_c01 FORMATE DEHYDROGENASE H user 4 3 # 4 44 LYS A 183 LYS^? 12.80 O3 SO4 A 243 141 HIS B 229 HIS^? 22.78 O1 SO4 B 243 333 ARG B 232 ARG.? 20.69 O1 SO4 B 243 coo 69.56 26.03 31.04 72.53 30.39 31.84 15.64 9.91 6.99 14.95 7.19 11.14 coo 85.95 39.62 33.57 84.70 40.34 35.09 0.17 20.57 -3.28 -0.12 19.82 -5.21 coo 87.31 36.08 32.89 89.57 36.58 34.95 2.95 23.97 -2.41 0.09 24.88 -3.25 ULMN 3 1aa6_c01 FORMATE DEHYDROGENASE H user 5 3 # 5 44 LYS A 211 LYS^? 6.62 O3 SO4 A 243 141 HIS A 229 HIS^? 22.39 O3 SO4 A 243 333 ARG A 232 ARG.? 20.27 O3 SO4 A 243 coo 69.56 26.03 31.04 72.53 30.39 31.84 17.59 6.59 4.81 17.28 1.50 8.69 coo 85.95 39.62 33.57 84.70 40.34 35.09 -0.05 2.05 -3.08 -1.62 2.78 -4.27 coo 87.31 36.08 32.89 89.57 36.58 34.95 -0.55 -1.37 -0.24 0.04 -2.25 -3.11 ULMN 3 1aa6_c01 FORMATE DEHYDROGENASE H user 6 3 # 6 44 LYS B 118 LYS~? 15.88 O1 SO4 B 243 141 HIS B 101 HIS.? 5.53 O4 SO4 B 243 333 ARG B 132 ARG^? -2.94 O3 SO4 B 243s coo 69.56 26.03 31.04 72.53 30.39 31.84 -8.85 13.11 20.72 -7.39 14.71 15.31 coo 85.95 39.62 33.57 84.70 40.34 35.09 1.10 31.39 11.62 1.04 29.37 12.19 coo 87.31 36.08 32.89 89.57 36.58 34.95 -3.03 30.55 13.28 -1.00 29.32 15.28 ULMN 3 1aa6_c01 FORMATE DEHYDROGENASE H user 7 3 # 7 44 LYS B 175 LYS~? 16.29 O2 SO4 B 243 141 HIS B 101 HIS.? 5.53 O4 SO4 B 243 333 ARG B 132 ARG^? -2.94 O3 SO4 B 243s coo 69.56 26.03 31.04 72.53 30.39 31.84 -0.06 28.25 32.86 0.77 33.04 34.82 coo 85.95 39.62 33.57 84.70 40.34 35.09 1.10 31.39 11.62 1.04 29.37 12.19 coo 87.31 36.08 32.89 89.57 36.58 34.95 -3.03 30.55 13.28 -1.00 29.32 15.28 ULMN 3 1aa6_c01 FORMATE DEHYDROGENASE H user 8 3 # 8 44 LYS B 183 LYS^? 10.90 O1 SO4 B 243 141 HIS A 229 HIS^? 22.39 O3 SO4 A 243 333 ARG A 232 ARG.? 20.27 O3 SO4 A 243 coo 69.56 26.03 31.04 72.53 30.39 31.84 1.60 12.78 15.42 4.74 17.90 14.06 coo 85.95 39.62 33.57 84.70 40.34 35.09 -0.05 2.05 -3.08 -1.62 2.78 -4.27 coo 87.31 36.08 32.89 89.57 36.58 34.95 -0.55 -1.37 -0.24 0.04 -2.25 -3.11 ULMN 3 1aa6_c01 FORMATE DEHYDROGENASE H user 9 3 # 9 44 LYS B 183 LYS^? 10.90 O1 SO4 B 243 141 HIS B 229 HIS^? 22.78 O1 SO4 B 243 333 ARG B 232 ARG.? 20.69 O1 SO4 B 243 coo 69.56 26.03 31.04 72.53 30.39 31.84 1.60 12.78 15.42 4.74 17.90 14.06 coo 85.95 39.62 33.57 84.70 40.34 35.09 0.17 20.57 -3.28 -0.12 19.82 -5.21 coo 87.31 36.08 32.89 89.57 36.58 34.95 2.95 23.97 -2.41 0.09 24.88 -3.25 ULMN 3 1aa6_c01 FORMATE DEHYDROGENASE H user 10 3 # 10 44 LYS B 211 LYS^? 7.04 O1 SO4 B 243 141 HIS B 229 HIS^? 22.78 O1 SO4 B 243 333 ARG B 232 ARG.? 20.69 O1 SO4 B 243 coo 69.56 26.03 31.04 72.53 30.39 31.84 -1.16 16.10 16.00 2.65 20.89 17.79 coo 85.95 39.62 33.57 84.70 40.34 35.09 0.17 20.57 -3.28 -0.12 19.82 -5.21 coo 87.31 36.08 32.89 89.57 36.58 34.95 2.95 23.97 -2.41 0.09 24.88 -3.25 1aa6_c01 source 1aa6 FORMATE DEHYDROGENASE H : 10 hits 1aa6_c01 naa= 3 ULMN 3 1ald_c00 ALDOLASE A (E.C.4.1.2.13) user 1 3 # 1 33 ASP A 157 ASP~? 15.53 O1 SO4 A 243 187 GLU A 129 GLU^? 16.53 O1 SO4 A 243 229 LYS A 131 LYS^? 17.03 O1 SO4 A 243 coo -52.57 56.60 47.75 -51.52 54.87 46.95 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo -45.08 48.37 46.81 -46.53 49.74 45.96 20.62 -2.18 -6.03 20.44 -1.20 -7.86 coo -47.40 44.36 48.48 -50.80 49.18 46.20 16.33 -5.43 -3.31 16.51 -3.10 -9.13 ULMN 3 1ald_c00 ALDOLASE A (E.C.4.1.2.13) user 2 3 # 2 33 ASP A 210 ASP^? 16.17 O3 SO4 A 243 187 GLU A 144 GLU^? 5.14 O3 SO4 A 243 229 LYS A 131 LYS^? 17.03 O1 SO4 A 243 coo -52.57 56.60 47.75 -51.52 54.87 46.95 15.65 9.10 1.05 17.66 9.20 0.39 coo -45.08 48.37 46.81 -46.53 49.74 45.96 15.10 -1.99 1.69 15.82 -3.30 3.21 coo -47.40 44.36 48.48 -50.80 49.18 46.20 16.33 -5.43 -3.31 16.51 -3.10 -9.13 ULMN 3 1ald_c00 ALDOLASE A (E.C.4.1.2.13) user 3 3 # 3 33 ASP B 157 ASP~? 15.61 O3 SO4 B 243 187 GLU B 129 GLU^? 16.54 O1 SO4 B 243 229 LYS B 131 LYS^? 17.11 O1 SO4 B 243 coo -52.57 56.60 47.75 -51.52 54.87 46.95 -12.32 32.41 21.01 -13.75 33.02 22.44 coo -45.08 48.37 46.81 -46.53 49.74 45.96 -12.39 24.89 13.45 -13.91 23.80 12.41 coo -47.40 44.36 48.48 -50.80 49.18 46.20 -7.93 28.07 10.94 -13.10 25.67 8.39 ULMN 3 1ald_c00 ALDOLASE A (E.C.4.1.2.13) user 4 3 # 4 33 ASP B 210 ASP^? 16.02 O1 SO4 B 243 187 GLU B 144 GLU^? 5.26 O1 SO4 B 243 229 LYS B 131 LYS^? 17.11 O1 SO4 B 243 coo -52.57 56.60 47.75 -51.52 54.87 46.95 -3.61 13.59 12.62 -5.22 13.58 13.96 coo -45.08 48.37 46.81 -46.53 49.74 45.96 -2.94 24.68 12.26 -2.09 26.04 13.69 coo -47.40 44.36 48.48 -50.80 49.18 46.20 -7.93 28.07 10.94 -13.10 25.67 8.39 1ald_c00 source 1ald ALDOLASE A (E.C.4.1.2.13) : 4 hits 1ald_c00 naa= 3 ULMN 3 1am5_c04 PEPSIN user 1 3 # 1 32 ASP A 107 ASP^? 18.51 O1 SO4 A 243 35 SER A 105 SER^? 14.75 O1 SO4 A 243 215 ASP A 157 ASP~? 15.53 O1 SO4 A 243 coo -7.18 8.92 145.10 -8.77 8.81 143.59 23.22 -6.70 -8.91 22.86 -8.00 -10.43 coo -12.30 10.35 145.24 -10.75 8.55 145.88 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo -8.20 12.64 138.30 -8.86 10.97 139.38 27.16 -9.86 -2.28 29.16 -10.33 -2.80 ULMN 3 1am5_c04 PEPSIN user 2 3 # 2 32 ASP A 199 ASP~? 23.37 O3 SO4 A 243 35 SER A 195 SER~? 24.26 O3 SO4 A 243 215 ASP A 201 ASP.? 28.67 O3 SO4 A 243 coo -7.18 8.92 145.10 -8.77 8.81 143.59 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 coo -12.30 10.35 145.24 -10.75 8.55 145.88 4.31 -1.23 -10.07 4.20 -1.50 -12.49 coo -8.20 12.64 138.30 -8.86 10.97 139.38 -1.72 1.66 -11.39 -3.36 0.47 -11.68 ULMN 3 1am5_c04 PEPSIN user 3 3 # 3 32 ASP A 201 ASP.? 28.67 O3 SO4 A 243 35 SER A 195 SER~? 24.26 O3 SO4 A 243 215 ASP A 199 ASP~? 23.37 O3 SO4 A 243 coo -7.18 8.92 145.10 -8.77 8.81 143.59 -1.72 1.66 -11.39 -3.36 0.47 -11.68 coo -12.30 10.35 145.24 -10.75 8.55 145.88 4.31 -1.23 -10.07 4.20 -1.50 -12.49 coo -8.20 12.64 138.30 -8.86 10.97 139.38 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 ULMN 3 1am5_c04 PEPSIN user 4 3 # 4 32 ASP B 107 ASP^? 18.02 O3 SO4 B 243 35 SER B 105 SER^? 14.66 O3 SO4 B 243 215 ASP B 157 ASP~? 15.61 O3 SO4 B 243 coo -7.18 8.92 145.10 -8.77 8.81 143.59 -16.27 29.29 14.31 -16.58 30.52 12.63 coo -12.30 10.35 145.24 -10.75 8.55 145.88 -11.13 32.24 11.11 -11.87 30.19 10.06 coo -8.20 12.64 138.30 -8.86 10.97 139.38 -12.32 32.41 21.01 -13.75 33.02 22.44 ULMN 3 1am5_c04 PEPSIN user 5 3 # 5 32 ASP B 199 ASP~? 23.68 O1 SO4 B 243 35 SER B 195 SER~? 24.29 O1 SO4 B 243 215 ASP B 201 ASP.? 28.94 O1 SO4 B 243 coo -7.18 8.92 145.10 -8.77 8.81 143.59 -3.04 28.39 -4.12 -2.88 29.28 -6.05 coo -12.30 10.35 145.24 -10.75 8.55 145.88 -8.00 23.84 -2.71 -9.97 24.14 -3.95 coo -8.20 12.64 138.30 -8.86 10.97 139.38 -6.53 20.97 -8.85 -5.67 22.23 -10.32 ULMN 3 1am5_c04 PEPSIN user 6 3 # 6 32 ASP B 201 ASP.? 28.94 O1 SO4 B 243 35 SER B 195 SER~? 24.29 O1 SO4 B 243 215 ASP B 199 ASP~? 23.68 O1 SO4 B 243 coo -7.18 8.92 145.10 -8.77 8.81 143.59 -6.53 20.97 -8.85 -5.67 22.23 -10.32 coo -12.30 10.35 145.24 -10.75 8.55 145.88 -8.00 23.84 -2.71 -9.97 24.14 -3.95 coo -8.20 12.64 138.30 -8.86 10.97 139.38 -3.04 28.39 -4.12 -2.88 29.28 -6.05 1am5_c04 source 1am5 PEPSIN : 6 hits 1am5_c04 naa= 3 ULMN 3 1amy_c01 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 1 3 # 1 179 ASP A 137 ASP.? 20.28 O2 SO4 A 243 214 ASP B 204 ASP.? 26.31 O1 SO4 B 243 289 ASP A 199 ASP~? 23.37 O3 SO4 A 243 coo -0.62 65.95 29.97 0.31 67.47 31.05 -1.53 -10.78 4.66 -2.79 -9.50 3.60 coo 26.86 59.76 46.36 25.42 58.23 45.92 -4.03 18.39 -5.24 -3.87 19.29 -7.14 coo 9.42 68.07 30.27 7.35 68.27 30.10 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 ULMN 3 1amy_c01 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 2 3 # 2 179 ASP A 138 ASP.? 20.83 O2 SO4 A 243 214 ASP B 204 ASP.? 26.31 O1 SO4 B 243 289 ASP A 199 ASP~? 23.37 O3 SO4 A 243 coo -0.62 65.95 29.97 0.31 67.47 31.05 -1.07 -12.13 0.13 -1.24 -14.06 1.00 coo 26.86 59.76 46.36 25.42 58.23 45.92 -4.03 18.39 -5.24 -3.87 19.29 -7.14 coo 9.42 68.07 30.27 7.35 68.27 30.10 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 ULMN 3 1amy_c01 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 3 3 # 3 179 ASP A 157 ASP~? 15.53 O1 SO4 A 243 214 ASP A 201 ASP.? 28.67 O3 SO4 A 243 289 ASP A 107 ASP^? 18.51 O1 SO4 A 243 coo -0.62 65.95 29.97 0.31 67.47 31.05 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo 26.86 59.76 46.36 25.42 58.23 45.92 -1.72 1.66 -11.39 -3.36 0.47 -11.68 coo 9.42 68.07 30.27 7.35 68.27 30.10 23.22 -6.70 -8.91 22.86 -8.00 -10.43 ULMN 3 1amy_c01 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 4 3 # 4 179 ASP A 157 ASP~? 15.53 O1 SO4 A 243 214 ASP A 204 ASP.? 25.99 O3 SO4 A 243 289 ASP A 107 ASP^? 18.51 O1 SO4 A 243 coo -0.62 65.95 29.97 0.31 67.47 31.05 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo 26.86 59.76 46.36 25.42 58.23 45.92 0.25 4.29 -7.71 -1.48 3.39 -8.50 coo 9.42 68.07 30.27 7.35 68.27 30.10 23.22 -6.70 -8.91 22.86 -8.00 -10.43 ULMN 3 1amy_c01 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 5 3 # 5 179 ASP A 199 ASP~? 23.37 O3 SO4 A 243 214 ASP B 199 ASP~? 23.68 O1 SO4 B 243 289 ASP A 204 ASP.? 25.99 O3 SO4 A 243 coo -0.62 65.95 29.97 0.31 67.47 31.05 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 coo 26.86 59.76 46.36 25.42 58.23 45.92 -3.04 28.39 -4.12 -2.88 29.28 -6.05 coo 9.42 68.07 30.27 7.35 68.27 30.10 0.25 4.29 -7.71 -1.48 3.39 -8.50 ULMN 3 1amy_c01 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 6 3 # 6 179 ASP A 201 ASP.? 28.67 O3 SO4 A 243 214 ASP A 157 ASP~? 15.53 O1 SO4 A 243 289 ASP A 199 ASP~? 23.37 O3 SO4 A 243 coo -0.62 65.95 29.97 0.31 67.47 31.05 -1.72 1.66 -11.39 -3.36 0.47 -11.68 coo 26.86 59.76 46.36 25.42 58.23 45.92 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo 9.42 68.07 30.27 7.35 68.27 30.10 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 ULMN 3 1amy_c01 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 7 3 # 7 179 ASP A 204 ASP.? 25.99 O3 SO4 A 243 214 ASP A 157 ASP~? 15.53 O1 SO4 A 243 289 ASP A 199 ASP~? 23.37 O3 SO4 A 243 coo -0.62 65.95 29.97 0.31 67.47 31.05 0.25 4.29 -7.71 -1.48 3.39 -8.50 coo 26.86 59.76 46.36 25.42 58.23 45.92 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo 9.42 68.07 30.27 7.35 68.27 30.10 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 ULMN 3 1amy_c01 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 8 3 # 8 179 ASP B 137 ASP.? 20.11 O4 SO4 B 243 214 ASP A 204 ASP.? 25.99 O3 SO4 A 243 289 ASP B 199 ASP~? 23.68 O1 SO4 B 243 coo -0.62 65.95 29.97 0.31 67.47 31.05 7.58 33.13 -0.50 7.13 32.43 -2.48 coo 26.86 59.76 46.36 25.42 58.23 45.92 0.25 4.29 -7.71 -1.48 3.39 -8.50 coo 9.42 68.07 30.27 7.35 68.27 30.10 -3.04 28.39 -4.12 -2.88 29.28 -6.05 ULMN 3 1amy_c01 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 9 3 # 9 179 ASP B 138 ASP.? 20.16 O4 SO4 B 243 214 ASP A 204 ASP.? 25.99 O3 SO4 A 243 289 ASP B 199 ASP~? 23.68 O1 SO4 B 243 coo -0.62 65.95 29.97 0.31 67.47 31.05 3.17 35.06 -2.07 1.06 35.64 -2.11 coo 26.86 59.76 46.36 25.42 58.23 45.92 0.25 4.29 -7.71 -1.48 3.39 -8.50 coo 9.42 68.07 30.27 7.35 68.27 30.10 -3.04 28.39 -4.12 -2.88 29.28 -6.05 ULMN 3 1amy_c01 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 10 3 # 10 179 ASP B 157 ASP~? 15.61 O3 SO4 B 243 214 ASP B 201 ASP.? 28.94 O1 SO4 B 243 289 ASP B 107 ASP^? 18.02 O3 SO4 B 243 coo -0.62 65.95 29.97 0.31 67.47 31.05 -12.32 32.41 21.01 -13.75 33.02 22.44 coo 26.86 59.76 46.36 25.42 58.23 45.92 -6.53 20.97 -8.85 -5.67 22.23 -10.32 coo 9.42 68.07 30.27 7.35 68.27 30.10 -16.27 29.29 14.31 -16.58 30.52 12.63 ULMN 3 1amy_c01 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 11 3 # 11 179 ASP B 157 ASP~? 15.61 O3 SO4 B 243 214 ASP B 204 ASP.? 26.31 O1 SO4 B 243 289 ASP B 107 ASP^? 18.02 O3 SO4 B 243 coo -0.62 65.95 29.97 0.31 67.47 31.05 -12.32 32.41 21.01 -13.75 33.02 22.44 coo 26.86 59.76 46.36 25.42 58.23 45.92 -4.03 18.39 -5.24 -3.87 19.29 -7.14 coo 9.42 68.07 30.27 7.35 68.27 30.10 -16.27 29.29 14.31 -16.58 30.52 12.63 ULMN 3 1amy_c01 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 12 3 # 12 179 ASP B 199 ASP~? 23.68 O1 SO4 B 243 214 ASP A 199 ASP~? 23.37 O3 SO4 A 243 289 ASP B 204 ASP.? 26.31 O1 SO4 B 243 coo -0.62 65.95 29.97 0.31 67.47 31.05 -3.04 28.39 -4.12 -2.88 29.28 -6.05 coo 26.86 59.76 46.36 25.42 58.23 45.92 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 coo 9.42 68.07 30.27 7.35 68.27 30.10 -4.03 18.39 -5.24 -3.87 19.29 -7.14 ULMN 3 1amy_c01 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 13 3 # 13 179 ASP B 201 ASP.? 28.94 O1 SO4 B 243 214 ASP B 157 ASP~? 15.61 O3 SO4 B 243 289 ASP B 199 ASP~? 23.68 O1 SO4 B 243 coo -0.62 65.95 29.97 0.31 67.47 31.05 -6.53 20.97 -8.85 -5.67 22.23 -10.32 coo 26.86 59.76 46.36 25.42 58.23 45.92 -12.32 32.41 21.01 -13.75 33.02 22.44 coo 9.42 68.07 30.27 7.35 68.27 30.10 -3.04 28.39 -4.12 -2.88 29.28 -6.05 ULMN 3 1amy_c01 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 14 3 # 14 179 ASP B 204 ASP.? 26.31 O1 SO4 B 243 214 ASP B 157 ASP~? 15.61 O3 SO4 B 243 289 ASP B 199 ASP~? 23.68 O1 SO4 B 243 coo -0.62 65.95 29.97 0.31 67.47 31.05 -4.03 18.39 -5.24 -3.87 19.29 -7.14 coo 26.86 59.76 46.36 25.42 58.23 45.92 -12.32 32.41 21.01 -13.75 33.02 22.44 coo 9.42 68.07 30.27 7.35 68.27 30.10 -3.04 28.39 -4.12 -2.88 29.28 -6.05 1amy_c01 source 1amy ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE (ALPHA-AMY: 14 hits 1amy_c01 naa= 3 ULMN 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 1 3 # 1 179 ASP A 107 ASP^? 18.51 O1 SO4 A 243 227 GLU A 124 GLU.? 26.98 O1 SO4 A 243 289 ASP A 157 ASP~? 15.53 O1 SO4 A 243 coo -0.62 65.95 29.97 0.31 67.47 31.05 23.22 -6.70 -8.91 22.86 -8.00 -10.43 coo 3.96 55.76 41.24 4.83 57.69 41.17 32.52 5.36 -11.66 30.80 6.45 -12.06 coo 9.42 68.07 30.27 7.35 68.27 30.10 27.16 -9.86 -2.28 29.16 -10.33 -2.80 ULMN 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 2 3 # 2 179 ASP A 199 ASP~? 23.37 O3 SO4 A 243 227 GLU A 144 GLU^? 5.14 O3 SO4 A 243 289 ASP A 137 ASP.? 20.28 O2 SO4 A 243 coo -0.62 65.95 29.97 0.31 67.47 31.05 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 coo 3.96 55.76 41.24 4.83 57.69 41.17 15.10 -1.99 1.69 15.82 -3.30 3.21 coo 9.42 68.07 30.27 7.35 68.27 30.10 -1.53 -10.78 4.66 -2.79 -9.50 3.60 ULMN 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 3 3 # 3 179 ASP A 199 ASP~? 23.37 O3 SO4 A 243 227 GLU A 144 GLU^? 5.14 O3 SO4 A 243 289 ASP A 138 ASP.? 20.83 O2 SO4 A 243 coo -0.62 65.95 29.97 0.31 67.47 31.05 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 coo 3.96 55.76 41.24 4.83 57.69 41.17 15.10 -1.99 1.69 15.82 -3.30 3.21 coo 9.42 68.07 30.27 7.35 68.27 30.10 -1.07 -12.13 0.13 -1.24 -14.06 1.00 ULMN 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 4 3 # 4 179 ASP A 199 ASP~? 23.37 O3 SO4 A 243 227 GLU A 144 GLU^? 5.14 O3 SO4 A 243 289 ASP A 204 ASP.? 25.99 O3 SO4 A 243 coo -0.62 65.95 29.97 0.31 67.47 31.05 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 coo 3.96 55.76 41.24 4.83 57.69 41.17 15.10 -1.99 1.69 15.82 -3.30 3.21 coo 9.42 68.07 30.27 7.35 68.27 30.10 0.25 4.29 -7.71 -1.48 3.39 -8.50 ULMN 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 5 3 # 5 179 ASP A 199 ASP~? 23.37 O3 SO4 A 243 227 GLU A 208 GLU^? 18.11 O3 SO4 A 243 289 ASP A 201 ASP.? 28.67 O3 SO4 A 243 coo -0.62 65.95 29.97 0.31 67.47 31.05 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 coo 3.96 55.76 41.24 4.83 57.69 41.17 11.78 7.44 -1.74 12.80 8.58 -3.28 coo 9.42 68.07 30.27 7.35 68.27 30.10 -1.72 1.66 -11.39 -3.36 0.47 -11.68 ULMN 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 6 3 # 6 179 ASP A 201 ASP.? 28.67 O3 SO4 A 243 227 GLU A 208 GLU^? 18.11 O3 SO4 A 243 289 ASP A 199 ASP~? 23.37 O3 SO4 A 243 coo -0.62 65.95 29.97 0.31 67.47 31.05 -1.72 1.66 -11.39 -3.36 0.47 -11.68 coo 3.96 55.76 41.24 4.83 57.69 41.17 11.78 7.44 -1.74 12.80 8.58 -3.28 coo 9.42 68.07 30.27 7.35 68.27 30.10 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 ULMN 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 7 3 # 7 179 ASP B 107 ASP^? 18.02 O3 SO4 B 243 227 GLU B 124 GLU.? 25.96 O1 SO4 B 243 289 ASP B 157 ASP~? 15.61 O3 SO4 B 243 coo -0.62 65.95 29.97 0.31 67.47 31.05 -16.27 29.29 14.31 -16.58 30.52 12.63 coo 3.96 55.76 41.24 4.83 57.69 41.17 -22.76 17.31 20.58 -22.55 17.91 18.56 coo 9.42 68.07 30.27 7.35 68.27 30.10 -12.32 32.41 21.01 -13.75 33.02 22.44 ULMN 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 8 3 # 8 179 ASP B 199 ASP~? 23.68 O1 SO4 B 243 227 GLU B 85 GLU.? 16.99 O4 SO4 B 243 289 ASP B 204 ASP.? 26.31 O1 SO4 B 243 coo -0.62 65.95 29.97 0.31 67.47 31.05 -3.04 28.39 -4.12 -2.88 29.28 -6.05 coo 3.96 55.76 41.24 4.83 57.69 41.17 9.76 23.94 2.05 8.62 25.57 1.44 coo 9.42 68.07 30.27 7.35 68.27 30.10 -4.03 18.39 -5.24 -3.87 19.29 -7.14 ULMN 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 9 3 # 9 179 ASP B 199 ASP~? 23.68 O1 SO4 B 243 227 GLU B 144 GLU^? 5.26 O1 SO4 B 243 289 ASP B 137 ASP.? 20.11 O4 SO4 B 243 coo -0.62 65.95 29.97 0.31 67.47 31.05 -3.04 28.39 -4.12 -2.88 29.28 -6.05 coo 3.96 55.76 41.24 4.83 57.69 41.17 -2.94 24.68 12.26 -2.09 26.04 13.69 coo 9.42 68.07 30.27 7.35 68.27 30.10 7.58 33.13 -0.50 7.13 32.43 -2.48 ULMN 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 10 3 # 10 179 ASP B 199 ASP~? 23.68 O1 SO4 B 243 227 GLU B 144 GLU^? 5.26 O1 SO4 B 243 289 ASP B 138 ASP.? 20.16 O4 SO4 B 243 coo -0.62 65.95 29.97 0.31 67.47 31.05 -3.04 28.39 -4.12 -2.88 29.28 -6.05 coo 3.96 55.76 41.24 4.83 57.69 41.17 -2.94 24.68 12.26 -2.09 26.04 13.69 coo 9.42 68.07 30.27 7.35 68.27 30.10 3.17 35.06 -2.07 1.06 35.64 -2.11 ULMN 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 11 3 # 11 179 ASP B 199 ASP~? 23.68 O1 SO4 B 243 227 GLU B 144 GLU^? 5.26 O1 SO4 B 243 289 ASP B 204 ASP.? 26.31 O1 SO4 B 243 coo -0.62 65.95 29.97 0.31 67.47 31.05 -3.04 28.39 -4.12 -2.88 29.28 -6.05 coo 3.96 55.76 41.24 4.83 57.69 41.17 -2.94 24.68 12.26 -2.09 26.04 13.69 coo 9.42 68.07 30.27 7.35 68.27 30.10 -4.03 18.39 -5.24 -3.87 19.29 -7.14 ULMN 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 12 3 # 12 179 ASP B 199 ASP~? 23.68 O1 SO4 B 243 227 GLU B 208 GLU^? 18.08 O1 SO4 B 243 289 ASP B 201 ASP.? 28.94 O1 SO4 B 243 coo -0.62 65.95 29.97 0.31 67.47 31.05 -3.04 28.39 -4.12 -2.88 29.28 -6.05 coo 3.96 55.76 41.24 4.83 57.69 41.17 -4.22 15.23 7.76 -6.03 14.17 7.93 coo 9.42 68.07 30.27 7.35 68.27 30.10 -6.53 20.97 -8.85 -5.67 22.23 -10.32 ULMN 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 13 3 # 13 179 ASP B 201 ASP.? 28.94 O1 SO4 B 243 227 GLU B 208 GLU^? 18.08 O1 SO4 B 243 289 ASP B 199 ASP~? 23.68 O1 SO4 B 243 coo -0.62 65.95 29.97 0.31 67.47 31.05 -6.53 20.97 -8.85 -5.67 22.23 -10.32 coo 3.96 55.76 41.24 4.83 57.69 41.17 -4.22 15.23 7.76 -6.03 14.17 7.93 coo 9.42 68.07 30.27 7.35 68.27 30.10 -3.04 28.39 -4.12 -2.88 29.28 -6.05 1amy_c06 source 1amy ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE (ALPHA-AMY: 13 hits 1amy_c06 naa= 3 ULMN 3 1apt_c04 ISOVALERYL (IVA)-VAL-VAL-LYSTA-O-ET user 1 3 # 1 E 33 ASP A 107 ASP^? 18.51 O1 SO4 A 243 E 36 SER A 105 SER^? 14.75 O1 SO4 A 243 E 213 ASP A 157 ASP~? 15.53 O1 SO4 A 243 coo 26.30 12.96 16.78 25.46 12.99 18.72 23.22 -6.70 -8.91 22.86 -8.00 -10.43 coo 28.33 15.15 21.27 28.70 13.12 19.97 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo 20.15 16.04 19.79 21.65 14.49 19.86 27.16 -9.86 -2.28 29.16 -10.33 -2.80 ULMN 3 1apt_c04 ISOVALERYL (IVA)-VAL-VAL-LYSTA-O-ET user 2 3 # 2 E 33 ASP A 199 ASP~? 23.37 O3 SO4 A 243 E 36 SER A 195 SER~? 24.26 O3 SO4 A 243 E 213 ASP A 201 ASP.? 28.67 O3 SO4 A 243 coo 26.30 12.96 16.78 25.46 12.99 18.72 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 coo 28.33 15.15 21.27 28.70 13.12 19.97 4.31 -1.23 -10.07 4.20 -1.50 -12.49 coo 20.15 16.04 19.79 21.65 14.49 19.86 -1.72 1.66 -11.39 -3.36 0.47 -11.68 ULMN 3 1apt_c04 ISOVALERYL (IVA)-VAL-VAL-LYSTA-O-ET user 3 3 # 3 E 33 ASP A 201 ASP.? 28.67 O3 SO4 A 243 E 36 SER A 195 SER~? 24.26 O3 SO4 A 243 E 213 ASP A 199 ASP~? 23.37 O3 SO4 A 243 coo 26.30 12.96 16.78 25.46 12.99 18.72 -1.72 1.66 -11.39 -3.36 0.47 -11.68 coo 28.33 15.15 21.27 28.70 13.12 19.97 4.31 -1.23 -10.07 4.20 -1.50 -12.49 coo 20.15 16.04 19.79 21.65 14.49 19.86 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 ULMN 3 1apt_c04 ISOVALERYL (IVA)-VAL-VAL-LYSTA-O-ET user 4 3 # 4 E 33 ASP B 107 ASP^? 18.02 O3 SO4 B 243 E 36 SER B 105 SER^? 14.66 O3 SO4 B 243 E 213 ASP B 157 ASP~? 15.61 O3 SO4 B 243 coo 26.30 12.96 16.78 25.46 12.99 18.72 -16.27 29.29 14.31 -16.58 30.52 12.63 coo 28.33 15.15 21.27 28.70 13.12 19.97 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 20.15 16.04 19.79 21.65 14.49 19.86 -12.32 32.41 21.01 -13.75 33.02 22.44 ULMN 3 1apt_c04 ISOVALERYL (IVA)-VAL-VAL-LYSTA-O-ET user 5 3 # 5 E 33 ASP B 199 ASP~? 23.68 O1 SO4 B 243 E 36 SER B 195 SER~? 24.29 O1 SO4 B 243 E 213 ASP B 201 ASP.? 28.94 O1 SO4 B 243 coo 26.30 12.96 16.78 25.46 12.99 18.72 -3.04 28.39 -4.12 -2.88 29.28 -6.05 coo 28.33 15.15 21.27 28.70 13.12 19.97 -8.00 23.84 -2.71 -9.97 24.14 -3.95 coo 20.15 16.04 19.79 21.65 14.49 19.86 -6.53 20.97 -8.85 -5.67 22.23 -10.32 ULMN 3 1apt_c04 ISOVALERYL (IVA)-VAL-VAL-LYSTA-O-ET user 6 3 # 6 E 33 ASP B 201 ASP.? 28.94 O1 SO4 B 243 E 36 SER B 195 SER~? 24.29 O1 SO4 B 243 E 213 ASP B 199 ASP~? 23.68 O1 SO4 B 243 coo 26.30 12.96 16.78 25.46 12.99 18.72 -6.53 20.97 -8.85 -5.67 22.23 -10.32 coo 28.33 15.15 21.27 28.70 13.12 19.97 -8.00 23.84 -2.71 -9.97 24.14 -3.95 coo 20.15 16.04 19.79 21.65 14.49 19.86 -3.04 28.39 -4.12 -2.88 29.28 -6.05 1apt_c04 source 1apt ISOVALERYL (IVA)-VAL-VAL-LYSTA-O-ET (LYSTA IS : 6 hits 1apt_c04 naa= 3 ULMN 3 1aql_c02 BILE-SALT ACTIVATED LIPASE user 1 3 # 1 A 194 SER A 195 SER~? 24.26 O3 SO4 A 243 A 292 ASP B 204 ASP.? 26.31 O1 SO4 B 243 A 322 HIS A 102 HIS^? 13.43 O1 SO4 A 243 coo 36.34 32.23 39.60 36.43 34.62 39.93 4.31 -1.23 -10.07 4.20 -1.50 -12.49 coo 19.73 19.18 41.39 21.50 18.65 40.34 -4.03 18.39 -5.24 -3.87 19.29 -7.14 coo 41.69 45.14 46.60 41.78 47.19 46.18 10.89 -12.56 -1.72 11.39 -13.56 -3.50 ULMN 3 1aql_c02 BILE-SALT ACTIVATED LIPASE user 2 3 # 2 A 194 SER A 224 SER^? 7.40 O3 SO4 A 243 A 292 ASP A 199 ASP~? 23.37 O3 SO4 A 243 A 322 HIS A 180 HIS^? 16.73 O4 SO4 A 243 coo 36.34 32.23 39.60 36.43 34.62 39.93 18.13 2.56 1.79 18.41 0.79 3.71 coo 19.73 19.18 41.39 21.50 18.65 40.34 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 coo 41.69 45.14 46.60 41.78 47.19 46.18 23.63 8.86 13.89 25.45 9.53 13.13 ULMN 3 1aql_c02 BILE-SALT ACTIVATED LIPASE user 3 3 # 3 A 194 SER B 195 SER~? 24.29 O1 SO4 B 243 A 292 ASP A 204 ASP.? 25.99 O3 SO4 A 243 A 322 HIS B 102 HIS^? 13.40 O3 SO4 B 243 coo 36.34 32.23 39.60 36.43 34.62 39.93 -8.00 23.84 -2.71 -9.97 24.14 -3.95 coo 19.73 19.18 41.39 21.50 18.65 40.34 0.25 4.29 -7.71 -1.48 3.39 -8.50 coo 41.69 45.14 46.60 41.78 47.19 46.18 -4.13 35.26 6.99 -5.90 36.34 6.69 ULMN 3 1aql_c02 BILE-SALT ACTIVATED LIPASE user 4 3 # 4 A 194 SER B 224 SER^? 7.35 O1 SO4 B 243 A 292 ASP B 199 ASP~? 23.68 O1 SO4 B 243 A 322 HIS B 180 HIS^? 17.04 O1 SO4 B 243 coo 36.34 32.23 39.60 36.43 34.62 39.93 -4.24 20.16 15.05 -2.83 21.89 16.14 coo 19.73 19.18 41.39 21.50 18.65 40.34 -3.04 28.39 -4.12 -2.88 29.28 -6.05 coo 41.69 45.14 46.60 41.78 47.19 46.18 3.74 13.87 25.77 2.21 13.26 27.09 1aql_c02 source 1aql BILE-SALT ACTIVATED LIPASE : 4 hits 1aql_c02 naa= 3 ULMN 3 1aql_c03 BILE-SALT ACTIVATED LIPASE user 1 3 # 1 B 194 SER A 195 SER~? 24.26 O3 SO4 A 243 B 292 ASP B 204 ASP.? 26.31 O1 SO4 B 243 B 322 HIS A 102 HIS^? 13.43 O1 SO4 A 243 coo 35.42 71.28 22.94 36.24 69.06 22.37 4.31 -1.23 -10.07 4.20 -1.50 -12.49 coo 24.74 78.07 5.59 24.32 79.03 7.46 -4.03 18.39 -5.24 -3.87 19.29 -7.14 coo 48.81 64.16 26.34 49.30 62.16 26.73 10.89 -12.56 -1.72 11.39 -13.56 -3.50 ULMN 3 1aql_c03 BILE-SALT ACTIVATED LIPASE user 2 3 # 2 B 194 SER A 224 SER^? 7.40 O3 SO4 A 243 B 292 ASP A 199 ASP~? 23.37 O3 SO4 A 243 B 322 HIS A 180 HIS^? 16.73 O4 SO4 A 243 coo 35.42 71.28 22.94 36.24 69.06 22.37 18.13 2.56 1.79 18.41 0.79 3.71 coo 24.74 78.07 5.59 24.32 79.03 7.46 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 coo 48.81 64.16 26.34 49.30 62.16 26.73 23.63 8.86 13.89 25.45 9.53 13.13 ULMN 3 1aql_c03 BILE-SALT ACTIVATED LIPASE user 3 3 # 3 B 194 SER B 195 SER~? 24.29 O1 SO4 B 243 B 292 ASP A 204 ASP.? 25.99 O3 SO4 A 243 B 322 HIS B 102 HIS^? 13.40 O3 SO4 B 243 coo 35.42 71.28 22.94 36.24 69.06 22.37 -8.00 23.84 -2.71 -9.97 24.14 -3.95 coo 24.74 78.07 5.59 24.32 79.03 7.46 0.25 4.29 -7.71 -1.48 3.39 -8.50 coo 48.81 64.16 26.34 49.30 62.16 26.73 -4.13 35.26 6.99 -5.90 36.34 6.69 ULMN 3 1aql_c03 BILE-SALT ACTIVATED LIPASE user 4 3 # 4 B 194 SER B 224 SER^? 7.35 O1 SO4 B 243 B 292 ASP B 137 ASP.? 20.11 O4 SO4 B 243 B 322 HIS B 180 HIS^? 17.04 O1 SO4 B 243 coo 35.42 71.28 22.94 36.24 69.06 22.37 -4.24 20.16 15.05 -2.83 21.89 16.14 coo 24.74 78.07 5.59 24.32 79.03 7.46 7.58 33.13 -0.50 7.13 32.43 -2.48 coo 48.81 64.16 26.34 49.30 62.16 26.73 3.74 13.87 25.77 2.21 13.26 27.09 ULMN 3 1aql_c03 BILE-SALT ACTIVATED LIPASE user 5 3 # 5 B 194 SER B 224 SER^? 7.35 O1 SO4 B 243 B 292 ASP B 199 ASP~? 23.68 O1 SO4 B 243 B 322 HIS B 180 HIS^? 17.04 O1 SO4 B 243 coo 35.42 71.28 22.94 36.24 69.06 22.37 -4.24 20.16 15.05 -2.83 21.89 16.14 coo 24.74 78.07 5.59 24.32 79.03 7.46 -3.04 28.39 -4.12 -2.88 29.28 -6.05 coo 48.81 64.16 26.34 49.30 62.16 26.73 3.74 13.87 25.77 2.21 13.26 27.09 1aql_c03 source 1aql BILE-SALT ACTIVATED LIPASE : 5 hits 1aql_c03 naa= 3 ULMN 3 1avf_c04 GASTRICSIN user 1 3 # 1 A 32 ASP A 107 ASP^? 18.51 O1 SO4 A 243 A 35 SER A 105 SER^? 14.75 O1 SO4 A 243 A 217 ASP A 157 ASP~? 15.53 O1 SO4 A 243 coo -10.06 2.54 49.69 -8.83 3.73 50.96 23.22 -6.70 -8.91 22.86 -8.00 -10.43 coo -11.96 5.74 52.90 -10.55 6.74 51.22 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo -5.22 1.43 56.08 -5.36 2.84 54.49 27.16 -9.86 -2.28 29.16 -10.33 -2.80 ULMN 3 1avf_c04 GASTRICSIN user 2 3 # 2 A 32 ASP A 199 ASP~? 23.37 O3 SO4 A 243 A 35 SER A 195 SER~? 24.26 O3 SO4 A 243 A 217 ASP A 201 ASP.? 28.67 O3 SO4 A 243 coo -10.06 2.54 49.69 -8.83 3.73 50.96 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 coo -11.96 5.74 52.90 -10.55 6.74 51.22 4.31 -1.23 -10.07 4.20 -1.50 -12.49 coo -5.22 1.43 56.08 -5.36 2.84 54.49 -1.72 1.66 -11.39 -3.36 0.47 -11.68 ULMN 3 1avf_c04 GASTRICSIN user 3 3 # 3 A 32 ASP A 201 ASP.? 28.67 O3 SO4 A 243 A 35 SER A 195 SER~? 24.26 O3 SO4 A 243 A 217 ASP A 199 ASP~? 23.37 O3 SO4 A 243 coo -10.06 2.54 49.69 -8.83 3.73 50.96 -1.72 1.66 -11.39 -3.36 0.47 -11.68 coo -11.96 5.74 52.90 -10.55 6.74 51.22 4.31 -1.23 -10.07 4.20 -1.50 -12.49 coo -5.22 1.43 56.08 -5.36 2.84 54.49 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 ULMN 3 1avf_c04 GASTRICSIN user 4 3 # 4 A 32 ASP B 107 ASP^? 18.02 O3 SO4 B 243 A 35 SER B 105 SER^? 14.66 O3 SO4 B 243 A 217 ASP B 157 ASP~? 15.61 O3 SO4 B 243 coo -10.06 2.54 49.69 -8.83 3.73 50.96 -16.27 29.29 14.31 -16.58 30.52 12.63 coo -11.96 5.74 52.90 -10.55 6.74 51.22 -11.13 32.24 11.11 -11.87 30.19 10.06 coo -5.22 1.43 56.08 -5.36 2.84 54.49 -12.32 32.41 21.01 -13.75 33.02 22.44 ULMN 3 1avf_c04 GASTRICSIN user 5 3 # 5 A 32 ASP B 199 ASP~? 23.68 O1 SO4 B 243 A 35 SER B 195 SER~? 24.29 O1 SO4 B 243 A 217 ASP B 201 ASP.? 28.94 O1 SO4 B 243 coo -10.06 2.54 49.69 -8.83 3.73 50.96 -3.04 28.39 -4.12 -2.88 29.28 -6.05 coo -11.96 5.74 52.90 -10.55 6.74 51.22 -8.00 23.84 -2.71 -9.97 24.14 -3.95 coo -5.22 1.43 56.08 -5.36 2.84 54.49 -6.53 20.97 -8.85 -5.67 22.23 -10.32 1avf_c04 source 1avf GASTRICSIN : 5 hits 1avf_c04 naa= 3 ULMN 3 1avf_c05 GASTRICSIN user 1 3 # 1 J 32 ASP A 107 ASP^? 18.51 O1 SO4 A 243 J 35 SER A 105 SER^? 14.75 O1 SO4 A 243 J 217 ASP A 157 ASP~? 15.53 O1 SO4 A 243 coo -37.57 -17.54 20.53 -38.55 -18.66 19.00 23.22 -6.70 -8.91 22.86 -8.00 -10.43 coo -40.93 -20.91 21.81 -38.85 -21.36 20.65 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo -43.00 -16.46 14.92 -41.37 -17.71 15.28 27.16 -9.86 -2.28 29.16 -10.33 -2.80 ULMN 3 1avf_c05 GASTRICSIN user 2 3 # 2 J 32 ASP A 199 ASP~? 23.37 O3 SO4 A 243 J 35 SER A 195 SER~? 24.26 O3 SO4 A 243 J 217 ASP A 201 ASP.? 28.67 O3 SO4 A 243 coo -37.57 -17.54 20.53 -38.55 -18.66 19.00 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 coo -40.93 -20.91 21.81 -38.85 -21.36 20.65 4.31 -1.23 -10.07 4.20 -1.50 -12.49 coo -43.00 -16.46 14.92 -41.37 -17.71 15.28 -1.72 1.66 -11.39 -3.36 0.47 -11.68 ULMN 3 1avf_c05 GASTRICSIN user 3 3 # 3 J 32 ASP A 201 ASP.? 28.67 O3 SO4 A 243 J 35 SER A 195 SER~? 24.26 O3 SO4 A 243 J 217 ASP A 199 ASP~? 23.37 O3 SO4 A 243 coo -37.57 -17.54 20.53 -38.55 -18.66 19.00 -1.72 1.66 -11.39 -3.36 0.47 -11.68 coo -40.93 -20.91 21.81 -38.85 -21.36 20.65 4.31 -1.23 -10.07 4.20 -1.50 -12.49 coo -43.00 -16.46 14.92 -41.37 -17.71 15.28 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 ULMN 3 1avf_c05 GASTRICSIN user 4 3 # 4 J 32 ASP B 107 ASP^? 18.02 O3 SO4 B 243 J 35 SER B 105 SER^? 14.66 O3 SO4 B 243 J 217 ASP B 157 ASP~? 15.61 O3 SO4 B 243 coo -37.57 -17.54 20.53 -38.55 -18.66 19.00 -16.27 29.29 14.31 -16.58 30.52 12.63 coo -40.93 -20.91 21.81 -38.85 -21.36 20.65 -11.13 32.24 11.11 -11.87 30.19 10.06 coo -43.00 -16.46 14.92 -41.37 -17.71 15.28 -12.32 32.41 21.01 -13.75 33.02 22.44 ULMN 3 1avf_c05 GASTRICSIN user 5 3 # 5 J 32 ASP B 199 ASP~? 23.68 O1 SO4 B 243 J 35 SER B 195 SER~? 24.29 O1 SO4 B 243 J 217 ASP B 201 ASP.? 28.94 O1 SO4 B 243 coo -37.57 -17.54 20.53 -38.55 -18.66 19.00 -3.04 28.39 -4.12 -2.88 29.28 -6.05 coo -40.93 -20.91 21.81 -38.85 -21.36 20.65 -8.00 23.84 -2.71 -9.97 24.14 -3.95 coo -43.00 -16.46 14.92 -41.37 -17.71 15.28 -6.53 20.97 -8.85 -5.67 22.23 -10.32 1avf_c05 source 1avf GASTRICSIN : 5 hits 1avf_c05 naa= 3 ULMN 3 1ax4_c04 TRYPTOPHANASE user 1 3 # 1 A 130 PHE A 89 PHE.? 14.88 O3 SO4 A 243 A 223 ASP A 210 ASP^? 16.17 O3 SO4 A 243 A 265 LYS A 131 LYS^? 17.03 O1 SO4 A 243 coo 39.74 52.86 65.74 41.15 55.14 66.52 8.85 7.70 10.35 8.86 7.27 7.61 coo 30.70 47.50 67.53 29.83 49.47 67.39 15.65 9.10 1.05 17.66 9.20 0.39 coo 19.99 54.53 64.11 20.55 58.78 68.33 16.33 -5.43 -3.31 16.51 -3.10 -9.13 ULMN 3 1ax4_c04 TRYPTOPHANASE user 2 3 # 2 A 130 PHE A 207 PHE^? 19.75 O3 SO4 A 243 A 223 ASP A 210 ASP^? 16.17 O3 SO4 A 243 A 265 LYS A 131 LYS^? 17.03 O1 SO4 A 243 coo 39.74 52.86 65.74 41.15 55.14 66.52 4.23 7.51 1.97 1.90 8.61 3.04 coo 30.70 47.50 67.53 29.83 49.47 67.39 15.65 9.10 1.05 17.66 9.20 0.39 coo 19.99 54.53 64.11 20.55 58.78 68.33 16.33 -5.43 -3.31 16.51 -3.10 -9.13 ULMN 3 1ax4_c04 TRYPTOPHANASE user 3 3 # 3 A 130 PHE B 89 PHE^? 15.75 O1 SO4 B 243 A 223 ASP B 210 ASP^? 16.02 O1 SO4 B 243 A 265 LYS B 131 LYS^? 17.11 O1 SO4 B 243 coo 39.74 52.86 65.74 41.15 55.14 66.52 7.89 14.60 10.79 5.59 15.06 9.27 coo 30.70 47.50 67.53 29.83 49.47 67.39 -3.61 13.59 12.62 -5.22 13.58 13.96 coo 19.99 54.53 64.11 20.55 58.78 68.33 -7.93 28.07 10.94 -13.10 25.67 8.39 ULMN 3 1ax4_c04 TRYPTOPHANASE user 4 3 # 4 A 130 PHE B 207 PHE^? 20.11 O1 SO4 B 243 A 223 ASP B 210 ASP^? 16.02 O1 SO4 B 243 A 265 LYS B 131 LYS^? 17.11 O1 SO4 B 243 coo 39.74 52.86 65.74 41.15 55.14 66.52 2.62 15.17 2.96 4.64 14.14 1.31 coo 30.70 47.50 67.53 29.83 49.47 67.39 -3.61 13.59 12.62 -5.22 13.58 13.96 coo 19.99 54.53 64.11 20.55 58.78 68.33 -7.93 28.07 10.94 -13.10 25.67 8.39 1ax4_c04 source 1ax4 TRYPTOPHANASE : 4 hits 1ax4_c04 naa= 3 ULMN 3 1ax4_c05 TRYPTOPHANASE user 1 3 # 1 B 130 PHE A 89 PHE.? 14.88 O3 SO4 A 243 B 223 ASP A 210 ASP^? 16.17 O3 SO4 A 243 B 265 LYS A 131 LYS^? 17.03 O1 SO4 A 243 coo 7.48 54.94 99.62 7.67 52.27 100.42 8.85 7.70 10.35 8.86 7.27 7.61 coo 10.43 61.66 91.81 9.80 60.04 90.61 15.65 9.10 1.05 17.66 9.20 0.39 coo 5.43 58.06 80.08 8.57 53.00 79.37 16.33 -5.43 -3.31 16.51 -3.10 -9.13 ULMN 3 1ax4_c05 TRYPTOPHANASE user 2 3 # 2 B 130 PHE A 207 PHE^? 19.75 O3 SO4 A 243 B 223 ASP A 210 ASP^? 16.17 O3 SO4 A 243 B 265 LYS A 131 LYS^? 17.03 O1 SO4 A 243 coo 7.48 54.94 99.62 7.67 52.27 100.42 4.23 7.51 1.97 1.90 8.61 3.04 coo 10.43 61.66 91.81 9.80 60.04 90.61 15.65 9.10 1.05 17.66 9.20 0.39 coo 5.43 58.06 80.08 8.57 53.00 79.37 16.33 -5.43 -3.31 16.51 -3.10 -9.13 ULMN 3 1ax4_c05 TRYPTOPHANASE user 3 3 # 3 B 130 PHE B 89 PHE^? 15.75 O1 SO4 B 243 B 223 ASP B 210 ASP^? 16.02 O1 SO4 B 243 B 265 LYS B 131 LYS^? 17.11 O1 SO4 B 243 coo 7.48 54.94 99.62 7.67 52.27 100.42 7.89 14.60 10.79 5.59 15.06 9.27 coo 10.43 61.66 91.81 9.80 60.04 90.61 -3.61 13.59 12.62 -5.22 13.58 13.96 coo 5.43 58.06 80.08 8.57 53.00 79.37 -7.93 28.07 10.94 -13.10 25.67 8.39 ULMN 3 1ax4_c05 TRYPTOPHANASE user 4 3 # 4 B 130 PHE B 207 PHE^? 20.11 O1 SO4 B 243 B 223 ASP B 210 ASP^? 16.02 O1 SO4 B 243 B 265 LYS B 131 LYS^? 17.11 O1 SO4 B 243 coo 7.48 54.94 99.62 7.67 52.27 100.42 2.62 15.17 2.96 4.64 14.14 1.31 coo 10.43 61.66 91.81 9.80 60.04 90.61 -3.61 13.59 12.62 -5.22 13.58 13.96 coo 5.43 58.06 80.08 8.57 53.00 79.37 -7.93 28.07 10.94 -13.10 25.67 8.39 1ax4_c05 source 1ax4 TRYPTOPHANASE : 4 hits 1ax4_c05 naa= 3 ULMN 3 1ax4_c06 TRYPTOPHANASE user 1 3 # 1 C 130 PHE A 89 PHE.? 14.88 O3 SO4 A 243 C 223 ASP A 210 ASP^? 16.17 O3 SO4 A 243 C 265 LYS A 131 LYS^? 17.03 O1 SO4 A 243 coo -6.55 73.45 23.60 -6.77 71.48 21.66 8.85 7.70 10.35 8.86 7.27 7.61 coo -9.52 75.74 33.62 -8.85 73.74 33.93 15.65 9.10 1.05 17.66 9.20 0.39 coo -4.44 67.20 42.32 -7.50 62.41 40.49 16.33 -5.43 -3.31 16.51 -3.10 -9.13 ULMN 3 1ax4_c06 TRYPTOPHANASE user 2 3 # 2 C 130 PHE A 207 PHE^? 19.75 O3 SO4 A 243 C 223 ASP A 210 ASP^? 16.17 O3 SO4 A 243 C 265 LYS A 131 LYS^? 17.03 O1 SO4 A 243 coo -6.55 73.45 23.60 -6.77 71.48 21.66 4.23 7.51 1.97 1.90 8.61 3.04 coo -9.52 75.74 33.62 -8.85 73.74 33.93 15.65 9.10 1.05 17.66 9.20 0.39 coo -4.44 67.20 42.32 -7.50 62.41 40.49 16.33 -5.43 -3.31 16.51 -3.10 -9.13 1ax4_c06 source 1ax4 TRYPTOPHANASE : 2 hits 1ax4_c06 naa= 3 ULMN 3 1ax4_c07 TRYPTOPHANASE user 1 3 # 1 D 130 PHE A 89 PHE.? 14.88 O3 SO4 A 243 D 223 ASP A 210 ASP^? 16.17 O3 SO4 A 243 D 265 LYS A 131 LYS^? 17.03 O1 SO4 A 243 coo -38.60 55.38 52.70 -40.06 57.72 53.04 8.85 7.70 10.35 8.86 7.27 7.61 coo -29.46 51.67 48.51 -28.63 53.31 49.56 15.65 9.10 1.05 17.66 9.20 0.39 coo -18.87 56.53 54.79 -19.47 62.22 53.03 16.33 -5.43 -3.31 16.51 -3.10 -9.13 ULMN 3 1ax4_c07 TRYPTOPHANASE user 2 3 # 2 D 130 PHE A 207 PHE^? 19.75 O3 SO4 A 243 D 223 ASP A 210 ASP^? 16.17 O3 SO4 A 243 D 265 LYS A 131 LYS^? 17.03 O1 SO4 A 243 coo -38.60 55.38 52.70 -40.06 57.72 53.04 4.23 7.51 1.97 1.90 8.61 3.04 coo -29.46 51.67 48.51 -28.63 53.31 49.56 15.65 9.10 1.05 17.66 9.20 0.39 coo -18.87 56.53 54.79 -19.47 62.22 53.03 16.33 -5.43 -3.31 16.51 -3.10 -9.13 1ax4_c07 source 1ax4 TRYPTOPHANASE : 2 hits 1ax4_c07 naa= 3 ULMN 3 1azw_c00 PROLINE IMINOPEPTIDASE user 1 3 # 1 A 110 SER A 105 SER^? 14.75 O1 SO4 A 243 A 266 ASP A 157 ASP~? 15.53 O1 SO4 A 243 A 294 HIS A 106 HIS^? 13.08 O1 SO4 A 243 coo 32.07 25.76 77.83 34.46 26.05 77.46 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo 33.07 35.01 79.81 33.39 33.02 79.13 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo 35.53 30.26 79.89 34.62 28.71 78.80 22.50 -10.50 -3.88 23.13 -12.51 -3.91 ULMN 3 1azw_c00 PROLINE IMINOPEPTIDASE user 2 3 # 2 A 110 SER B 105 SER^? 14.66 O3 SO4 B 243 A 266 ASP B 157 ASP~? 15.61 O3 SO4 B 243 A 294 HIS B 106 HIS^? 13.01 O3 SO4 B 243 coo 32.07 25.76 77.83 34.46 26.05 77.46 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 33.07 35.01 79.81 33.39 33.02 79.13 -12.32 32.41 21.01 -13.75 33.02 22.44 coo 35.53 30.26 79.89 34.62 28.71 78.80 -11.40 33.04 16.07 -11.74 35.05 16.56 1azw_c00 source 1azw PROLINE IMINOPEPTIDASE : 2 hits 1azw_c00 naa= 3 ULMN 3 1azw_c01 PROLINE IMINOPEPTIDASE user 1 3 # 1 B 110 SER A 105 SER^? 14.75 O1 SO4 A 243 B 266 ASP A 157 ASP~? 15.53 O1 SO4 A 243 B 294 HIS A 106 HIS^? 13.08 O1 SO4 A 243 coo 51.18 33.22 36.61 49.29 31.79 37.02 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo 44.19 39.32 34.54 45.21 37.66 35.38 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo 45.79 34.26 34.63 47.54 33.80 35.70 22.50 -10.50 -3.88 23.13 -12.51 -3.91 ULMN 3 1azw_c01 PROLINE IMINOPEPTIDASE user 2 3 # 2 B 110 SER B 105 SER^? 14.66 O3 SO4 B 243 B 266 ASP B 157 ASP~? 15.61 O3 SO4 B 243 B 294 HIS B 106 HIS^? 13.01 O3 SO4 B 243 coo 51.18 33.22 36.61 49.29 31.79 37.02 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 44.19 39.32 34.54 45.21 37.66 35.38 -12.32 32.41 21.01 -13.75 33.02 22.44 coo 45.79 34.26 34.63 47.54 33.80 35.70 -11.40 33.04 16.07 -11.74 35.05 16.56 1azw_c01 source 1azw PROLINE IMINOPEPTIDASE : 2 hits 1azw_c01 naa= 3 ULMN 3 1b2m_c00 5'-R(*GP*(CH2)U)-3' user 1 3 # 1 A 40 HIS A 147 HIS^? 14.45 O3 SO4 A 243 A 58 GLU A 129 GLU^? 16.53 O1 SO4 A 243 A 92 HIS A 106 HIS^? 13.08 O1 SO4 A 243 coo 12.70 27.74 1.76 10.77 27.11 1.24 22.73 1.14 -3.20 21.31 1.29 -4.76 coo 11.38 23.30 3.20 9.27 23.34 3.13 20.62 -2.18 -6.03 20.44 -1.20 -7.86 coo 2.67 19.36 1.56 3.51 21.24 1.94 22.50 -10.50 -3.88 23.13 -12.51 -3.91 ULMN 3 1b2m_c00 5'-R(*GP*(CH2)U)-3' user 2 3 # 2 A 40 HIS B 147 HIS^? 14.18 O1 SO4 B 243 A 58 GLU B 129 GLU^? 16.54 O1 SO4 B 243 A 92 HIS B 106 HIS^? 13.01 O3 SO4 B 243 coo 12.70 27.74 1.76 10.77 27.11 1.24 -10.85 21.55 16.70 -11.51 21.37 14.71 coo 11.38 23.30 3.20 9.27 23.34 3.13 -12.39 24.89 13.45 -13.91 23.80 12.41 coo 2.67 19.36 1.56 3.51 21.24 1.94 -11.40 33.04 16.07 -11.74 35.05 16.56 1b2m_c00 source 1b2m 5'-R(*GP*(CH2)U)-3' : 2 hits 1b2m_c00 naa= 3 ULMN 3 1b2m_c01 5'-R(*GP*(CH2)U)-3' user 1 3 # 1 B 40 HIS A 147 HIS^? 14.45 O3 SO4 A 243 B 58 GLU A 129 GLU^? 16.53 O1 SO4 A 243 B 92 HIS A 106 HIS^? 13.08 O1 SO4 A 243 coo 10.74 36.24 16.20 9.81 34.52 16.97 22.73 1.14 -3.20 21.31 1.29 -4.76 coo 5.02 36.40 17.74 5.55 34.41 17.37 20.62 -2.18 -6.03 20.44 -1.20 -7.86 coo 0.68 29.04 20.43 2.46 29.56 19.46 22.50 -10.50 -3.88 23.13 -12.51 -3.91 ULMN 3 1b2m_c01 5'-R(*GP*(CH2)U)-3' user 2 3 # 2 B 40 HIS B 147 HIS^? 14.18 O1 SO4 B 243 B 58 GLU B 129 GLU^? 16.54 O1 SO4 B 243 B 92 HIS B 106 HIS^? 13.01 O3 SO4 B 243 coo 10.74 36.24 16.20 9.81 34.52 16.97 -10.85 21.55 16.70 -11.51 21.37 14.71 coo 5.02 36.40 17.74 5.55 34.41 17.37 -12.39 24.89 13.45 -13.91 23.80 12.41 coo 0.68 29.04 20.43 2.46 29.56 19.46 -11.40 33.04 16.07 -11.74 35.05 16.56 1b2m_c01 source 1b2m 5'-R(*GP*(CH2)U)-3' : 2 hits 1b2m_c01 naa= 3 ULMN 3 1b6g_c00 HALOALKANE DEHALOGENASE user 1 3 # 1 124 ASP A 107 ASP^? 18.51 O1 SO4 A 243 260 ASP A 157 ASP~? 15.53 O1 SO4 A 243 289 HIS A 106 HIS^? 13.08 O1 SO4 A 243 coo 30.43 27.27 28.31 29.04 28.69 29.00 23.22 -6.70 -8.91 22.86 -8.00 -10.43 coo 34.79 33.03 22.11 33.47 32.83 23.76 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo 30.83 30.57 23.91 30.62 30.06 25.92 22.50 -10.50 -3.88 23.13 -12.51 -3.91 ULMN 3 1b6g_c00 HALOALKANE DEHALOGENASE user 2 3 # 2 124 ASP A 157 ASP~? 15.53 O1 SO4 A 243 260 ASP A 107 ASP^? 18.51 O1 SO4 A 243 289 HIS A 106 HIS^? 13.08 O1 SO4 A 243 coo 30.43 27.27 28.31 29.04 28.69 29.00 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo 34.79 33.03 22.11 33.47 32.83 23.76 23.22 -6.70 -8.91 22.86 -8.00 -10.43 coo 30.83 30.57 23.91 30.62 30.06 25.92 22.50 -10.50 -3.88 23.13 -12.51 -3.91 ULMN 3 1b6g_c00 HALOALKANE DEHALOGENASE user 3 3 # 3 124 ASP B 107 ASP^? 18.02 O3 SO4 B 243 260 ASP B 157 ASP~? 15.61 O3 SO4 B 243 289 HIS B 106 HIS^? 13.01 O3 SO4 B 243 coo 30.43 27.27 28.31 29.04 28.69 29.00 -16.27 29.29 14.31 -16.58 30.52 12.63 coo 34.79 33.03 22.11 33.47 32.83 23.76 -12.32 32.41 21.01 -13.75 33.02 22.44 coo 30.83 30.57 23.91 30.62 30.06 25.92 -11.40 33.04 16.07 -11.74 35.05 16.56 ULMN 3 1b6g_c00 HALOALKANE DEHALOGENASE user 4 3 # 4 124 ASP B 157 ASP~? 15.61 O3 SO4 B 243 260 ASP B 107 ASP^? 18.02 O3 SO4 B 243 289 HIS B 106 HIS^? 13.01 O3 SO4 B 243 coo 30.43 27.27 28.31 29.04 28.69 29.00 -12.32 32.41 21.01 -13.75 33.02 22.44 coo 34.79 33.03 22.11 33.47 32.83 23.76 -16.27 29.29 14.31 -16.58 30.52 12.63 coo 30.83 30.57 23.91 30.62 30.06 25.92 -11.40 33.04 16.07 -11.74 35.05 16.56 1b6g_c00 source 1b6g HALOALKANE DEHALOGENASE : 4 hits 1b6g_c00 naa= 3 ULMN 3 1b6t_c00 PHOSPHOPANTETHEINE ADENYLYLTRANSFERAuser 1 3 # 1 A 18 HIS A 102 HIS^? 13.43 O1 SO4 A 243 A 91 ARG A 132 ARG^? -2.74 O1 SO4 A 243s A 129 SER A 105 SER^? 14.75 O1 SO4 A 243 coo 24.39 47.01 49.70 26.42 47.04 49.21 10.89 -12.56 -1.72 11.39 -13.56 -3.50 coo 25.98 44.20 42.23 28.53 42.98 43.43 16.18 -7.91 2.07 16.78 -6.68 4.89 coo 30.00 49.76 45.68 28.73 48.72 47.47 17.97 -9.58 -6.03 17.57 -7.57 -7.37 ULMN 3 1b6t_c00 PHOSPHOPANTETHEINE ADENYLYLTRANSFERAuser 2 3 # 2 A 18 HIS B 102 HIS^? 13.40 O3 SO4 B 243 A 91 ARG B 132 ARG^? -2.94 O3 SO4 B 243s A 129 SER B 105 SER^? 14.66 O3 SO4 B 243 coo 24.39 47.01 49.70 26.42 47.04 49.21 -4.13 35.26 6.99 -5.90 36.34 6.69 coo 25.98 44.20 42.23 28.53 42.98 43.43 -3.03 30.55 13.28 -1.00 29.32 15.28 coo 30.00 49.76 45.68 28.73 48.72 47.47 -11.13 32.24 11.11 -11.87 30.19 10.06 1b6t_c00 source 1b6t PHOSPHOPANTETHEINE ADENYLYLTRANSFERASE : 2 hits 1b6t_c00 naa= 3 ULMN 3 1b6t_c01 PHOSPHOPANTETHEINE ADENYLYLTRANSFERAuser 1 3 # 1 B 18 HIS A 102 HIS^? 13.43 O1 SO4 A 243 B 91 ARG A 132 ARG^? -2.74 O1 SO4 A 243s B 129 SER A 105 SER^? 14.75 O1 SO4 A 243 coo 18.19 17.03 40.71 18.55 17.18 38.64 10.89 -12.56 -1.72 11.39 -13.56 -3.50 coo 25.60 21.10 38.54 23.57 20.93 36.25 16.18 -7.91 2.07 16.78 -6.68 4.89 coo 21.33 14.29 34.62 19.25 14.88 35.71 17.97 -9.58 -6.03 17.57 -7.57 -7.37 ULMN 3 1b6t_c01 PHOSPHOPANTETHEINE ADENYLYLTRANSFERAuser 2 3 # 2 B 18 HIS B 102 HIS^? 13.40 O3 SO4 B 243 B 91 ARG B 132 ARG^? -2.94 O3 SO4 B 243s B 129 SER B 105 SER^? 14.66 O3 SO4 B 243 coo 18.19 17.03 40.71 18.55 17.18 38.64 -4.13 35.26 6.99 -5.90 36.34 6.69 coo 25.60 21.10 38.54 23.57 20.93 36.25 -3.03 30.55 13.28 -1.00 29.32 15.28 coo 21.33 14.29 34.62 19.25 14.88 35.71 -11.13 32.24 11.11 -11.87 30.19 10.06 1b6t_c01 source 1b6t PHOSPHOPANTETHEINE ADENYLYLTRANSFERASE : 2 hits 1b6t_c01 naa= 3 ULMN 3 1b8g_c04 1-AMINOCYCLOPROPANE-1-CARBOXYLATE SYuser 1 3 # 1 A 145 TYR A 148 TYR^? 8.27 O1 SO4 A 243 A 230 ASP A 157 ASP~? 15.53 O1 SO4 A 243 A 273 LYS A 131 LYS^? 17.03 O1 SO4 A 243 coo 9.23 21.44 106.88 10.18 19.34 105.31 25.02 -3.19 2.22 22.65 -3.79 3.58 coo 1.45 22.80 104.16 2.58 21.02 104.01 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo 2.97 11.64 107.87 6.59 15.13 107.03 16.33 -5.43 -3.31 16.51 -3.10 -9.13 ULMN 3 1b8g_c04 1-AMINOCYCLOPROPANE-1-CARBOXYLATE SYuser 2 3 # 2 A 145 TYR B 148 TYR^? 8.32 O1 SO4 B 243 A 230 ASP B 157 ASP~? 15.61 O3 SO4 B 243 A 273 LYS B 131 LYS^? 17.11 O1 SO4 B 243 coo 9.23 21.44 106.88 10.18 19.34 105.31 -7.17 25.88 21.30 -4.84 26.54 19.90 coo 1.45 22.80 104.16 2.58 21.02 104.01 -12.32 32.41 21.01 -13.75 33.02 22.44 coo 2.97 11.64 107.87 6.59 15.13 107.03 -7.93 28.07 10.94 -13.10 25.67 8.39 1b8g_c04 source 1b8g 1-AMINOCYCLOPROPANE-1-CARBOXYLATE SYNTHASE : 2 hits 1b8g_c04 naa= 3 ULMN 3 1b8g_c05 1-AMINOCYCLOPROPANE-1-CARBOXYLATE SYuser 1 3 # 1 B 145 TYR A 148 TYR^? 8.27 O1 SO4 A 243 B 230 ASP A 157 ASP~? 15.53 O1 SO4 A 243 B 273 LYS A 131 LYS^? 17.03 O1 SO4 A 243 coo 11.81 13.41 73.03 10.00 13.03 75.12 25.02 -3.19 2.22 22.65 -3.79 3.58 coo 19.17 11.01 76.14 17.26 10.42 76.77 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo 11.10 2.31 76.60 10.24 7.24 75.62 16.33 -5.43 -3.31 16.51 -3.10 -9.13 ULMN 3 1b8g_c05 1-AMINOCYCLOPROPANE-1-CARBOXYLATE SYuser 2 3 # 2 B 145 TYR B 148 TYR^? 8.32 O1 SO4 B 243 B 230 ASP B 157 ASP~? 15.61 O3 SO4 B 243 B 273 LYS B 131 LYS^? 17.11 O1 SO4 B 243 coo 11.81 13.41 73.03 10.00 13.03 75.12 -7.17 25.88 21.30 -4.84 26.54 19.90 coo 19.17 11.01 76.14 17.26 10.42 76.77 -12.32 32.41 21.01 -13.75 33.02 22.44 coo 11.10 2.31 76.60 10.24 7.24 75.62 -7.93 28.07 10.94 -13.10 25.67 8.39 1b8g_c05 source 1b8g 1-AMINOCYCLOPROPANE-1-CARBOXYLATE SYNTHASE : 2 hits 1b8g_c05 naa= 3 ULMN 3 1b9h_c02 3-AMINO-5-HYDROXYBENZOIC ACID SYNTHAuser 1 3 # 1 A 88 PHE A 226 PHE^? 7.87 O3 SO4 A 243 A 159 ASP A 210 ASP^? 16.17 O3 SO4 A 243 A 188 LYS A 131 LYS^? 17.03 O1 SO4 A 243 coo 13.91 34.58 14.67 12.95 36.00 12.47 12.67 1.65 3.42 14.69 0.67 5.10 coo 20.97 28.40 16.26 20.19 30.15 15.34 15.65 9.10 1.05 17.66 9.20 0.39 coo 22.55 41.65 15.60 18.92 37.20 14.63 16.33 -5.43 -3.31 16.51 -3.10 -9.13 ULMN 3 1b9h_c02 3-AMINO-5-HYDROXYBENZOIC ACID SYNTHAuser 2 3 # 2 A 88 PHE B 226 PHE^? 8.00 O1 SO4 B 243 A 159 ASP B 210 ASP^? 16.02 O1 SO4 B 243 A 188 LYS B 131 LYS^? 17.11 O1 SO4 B 243 coo 13.91 34.58 14.67 12.95 36.00 12.47 -0.15 21.00 11.03 0.29 22.26 13.52 coo 20.97 28.40 16.26 20.19 30.15 15.34 -3.61 13.59 12.62 -5.22 13.58 13.96 coo 22.55 41.65 15.60 18.92 37.20 14.63 -7.93 28.07 10.94 -13.10 25.67 8.39 1b9h_c02 source 1b9h 3-AMINO-5-HYDROXYBENZOIC ACID SYNTHASE : 2 hits 1b9h_c02 naa= 3 ULMN 3 1bbs_c06 RENIN user 1 3 # 1 32 ASP A 107 ASP^? 18.51 O1 SO4 A 243 35 SER A 105 SER^? 14.75 O1 SO4 A 243 215 ASP A 157 ASP~? 15.53 O1 SO4 A 243 coo 61.19 45.85 78.73 62.86 45.48 77.48 23.22 -6.70 -8.91 22.86 -8.00 -10.43 coo 66.00 46.17 80.29 64.31 47.92 79.91 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo 63.61 40.10 74.06 64.05 42.07 74.70 27.16 -9.86 -2.28 29.16 -10.33 -2.80 ULMN 3 1bbs_c06 RENIN user 2 3 # 2 32 ASP B 107 ASP^? 18.02 O3 SO4 B 243 35 SER B 105 SER^? 14.66 O3 SO4 B 243 215 ASP B 157 ASP~? 15.61 O3 SO4 B 243 coo 61.19 45.85 78.73 62.86 45.48 77.48 -16.27 29.29 14.31 -16.58 30.52 12.63 coo 66.00 46.17 80.29 64.31 47.92 79.91 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 63.61 40.10 74.06 64.05 42.07 74.70 -12.32 32.41 21.01 -13.75 33.02 22.44 1bbs_c06 source 1bbs RENIN : 2 hits 1bbs_c06 naa= 3 ULMN 3 1bbs_c07 RENIN user 1 3 # 1 32 ASP A 107 ASP^? 18.51 O1 SO4 A 243 35 SER A 105 SER^? 14.75 O1 SO4 A 243 215 ASP A 157 ASP~? 15.53 O1 SO4 A 243 coo 61.19 45.85 78.73 62.86 45.48 77.48 23.22 -6.70 -8.91 22.86 -8.00 -10.43 coo 66.00 46.17 80.29 64.31 47.92 79.91 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo 63.61 40.10 74.06 64.05 42.07 74.70 27.16 -9.86 -2.28 29.16 -10.33 -2.80 ULMN 3 1bbs_c07 RENIN user 2 3 # 2 32 ASP B 107 ASP^? 18.02 O3 SO4 B 243 35 SER B 105 SER^? 14.66 O3 SO4 B 243 215 ASP B 157 ASP~? 15.61 O3 SO4 B 243 coo 61.19 45.85 78.73 62.86 45.48 77.48 -16.27 29.29 14.31 -16.58 30.52 12.63 coo 66.00 46.17 80.29 64.31 47.92 79.91 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 63.61 40.10 74.06 64.05 42.07 74.70 -12.32 32.41 21.01 -13.75 33.02 22.44 1bbs_c07 source 1bbs RENIN : 2 hits 1bbs_c07 naa= 3 ULMN 3 1bd3_c00 URACIL PHOSPHORIBOSYLTRANSFERASE user 1 3 # 1 A 137 ARG A 232 ARG.? 20.27 O3 SO4 A 243 A 141 THR A 84 THR.? 21.34 O3 SO4 A 243 A 235 ASP A 201 ASP.? 28.67 O3 SO4 A 243 coo 6.21 93.81 36.58 4.58 96.33 37.17 -0.55 -1.37 -0.24 0.04 -2.25 -3.11 coo 6.80 92.87 28.33 4.91 92.74 27.40 -4.12 1.64 7.70 -3.13 2.30 5.85 coo 12.98 90.36 47.57 11.26 89.62 46.62 -1.72 1.66 -11.39 -3.36 0.47 -11.68 ULMN 3 1bd3_c00 URACIL PHOSPHORIBOSYLTRANSFERASE user 2 3 # 2 A 137 ARG B 132 ARG^? -2.94 O3 SO4 B 243s A 141 THR B 142 THR^? 10.75 O1 SO4 B 243 A 235 ASP B 107 ASP^? 18.02 O3 SO4 B 243 coo 6.21 93.81 36.58 4.58 96.33 37.17 -3.03 30.55 13.28 -1.00 29.32 15.28 coo 6.80 92.87 28.33 4.91 92.74 27.40 0.53 24.74 5.58 1.53 23.80 7.21 coo 12.98 90.36 47.57 11.26 89.62 46.62 -16.27 29.29 14.31 -16.58 30.52 12.63 ULMN 3 1bd3_c00 URACIL PHOSPHORIBOSYLTRANSFERASE user 3 3 # 3 A 137 ARG B 132 ARG^? -2.94 O3 SO4 B 243s A 141 THR B 142 THR^? 10.75 O1 SO4 B 243 A 235 ASP B 157 ASP~? 15.61 O3 SO4 B 243 coo 6.21 93.81 36.58 4.58 96.33 37.17 -3.03 30.55 13.28 -1.00 29.32 15.28 coo 6.80 92.87 28.33 4.91 92.74 27.40 0.53 24.74 5.58 1.53 23.80 7.21 coo 12.98 90.36 47.57 11.26 89.62 46.62 -12.32 32.41 21.01 -13.75 33.02 22.44 ULMN 3 1bd3_c00 URACIL PHOSPHORIBOSYLTRANSFERASE user 4 3 # 4 A 137 ARG B 132 ARG^? -2.94 O3 SO4 B 243s A 141 THR B 142 THR^? 10.75 O1 SO4 B 243 A 235 ASP B 168 ASP~? 6.50 O2 SO4 B 243 coo 6.21 93.81 36.58 4.58 96.33 37.17 -3.03 30.55 13.28 -1.00 29.32 15.28 coo 6.80 92.87 28.33 4.91 92.74 27.40 0.53 24.74 5.58 1.53 23.80 7.21 coo 12.98 90.36 47.57 11.26 89.62 46.62 3.03 33.25 23.92 5.06 33.14 23.36 ULMN 3 1bd3_c00 URACIL PHOSPHORIBOSYLTRANSFERASE user 5 3 # 5 A 137 ARG B 232 ARG.? 20.69 O1 SO4 B 243 A 141 THR B 84 THR.? 24.74 O4 SO4 B 243 A 235 ASP B 201 ASP.? 28.94 O1 SO4 B 243 coo 6.21 93.81 36.58 4.58 96.33 37.17 2.95 23.97 -2.41 0.09 24.88 -3.25 coo 6.80 92.87 28.33 4.91 92.74 27.40 11.98 19.96 -1.70 13.71 19.47 -2.93 coo 12.98 90.36 47.57 11.26 89.62 46.62 -6.53 20.97 -8.85 -5.67 22.23 -10.32 1bd3_c00 source 1bd3 URACIL PHOSPHORIBOSYLTRANSFERASE : 5 hits 1bd3_c00 naa= 3 ULMN 3 1bd3_c01 URACIL PHOSPHORIBOSYLTRANSFERASE user 1 3 # 1 D 137 ARG A 132 ARG^? -2.74 O1 SO4 A 243s D 141 THR A 142 THR^? 10.37 O3 SO4 A 243 D 235 ASP A 107 ASP^? 18.51 O1 SO4 A 243 coo -8.33 92.80 100.06 -7.71 95.33 98.44 16.18 -7.91 2.07 16.78 -6.68 4.89 coo -9.24 93.49 108.77 -7.37 94.21 109.61 7.56 -2.07 1.41 8.52 -1.14 3.08 coo -14.64 87.74 89.51 -12.89 87.43 90.65 23.22 -6.70 -8.91 22.86 -8.00 -10.43 ULMN 3 1bd3_c01 URACIL PHOSPHORIBOSYLTRANSFERASE user 2 3 # 2 D 137 ARG A 132 ARG^? -2.74 O1 SO4 A 243s D 141 THR A 142 THR^? 10.37 O3 SO4 A 243 D 235 ASP A 157 ASP~? 15.53 O1 SO4 A 243 coo -8.33 92.80 100.06 -7.71 95.33 98.44 16.18 -7.91 2.07 16.78 -6.68 4.89 coo -9.24 93.49 108.77 -7.37 94.21 109.61 7.56 -2.07 1.41 8.52 -1.14 3.08 coo -14.64 87.74 89.51 -12.89 87.43 90.65 27.16 -9.86 -2.28 29.16 -10.33 -2.80 ULMN 3 1bd3_c01 URACIL PHOSPHORIBOSYLTRANSFERASE user 3 3 # 3 D 137 ARG A 132 ARG^? -2.74 O1 SO4 A 243s D 141 THR A 142 THR^? 10.37 O3 SO4 A 243 D 235 ASP A 168 ASP~? 7.04 O4 SO4 A 243 coo -8.33 92.80 100.06 -7.71 95.33 98.44 16.18 -7.91 2.07 16.78 -6.68 4.89 coo -9.24 93.49 108.77 -7.37 94.21 109.61 7.56 -2.07 1.41 8.52 -1.14 3.08 coo -14.64 87.74 89.51 -12.89 87.43 90.65 22.19 -10.44 12.27 20.99 -10.59 13.96 ULMN 3 1bd3_c01 URACIL PHOSPHORIBOSYLTRANSFERASE user 4 3 # 4 D 137 ARG A 232 ARG.? 20.27 O3 SO4 A 243 D 141 THR A 84 THR.? 21.34 O3 SO4 A 243 D 235 ASP A 201 ASP.? 28.67 O3 SO4 A 243 coo -8.33 92.80 100.06 -7.71 95.33 98.44 -0.55 -1.37 -0.24 0.04 -2.25 -3.11 coo -9.24 93.49 108.77 -7.37 94.21 109.61 -4.12 1.64 7.70 -3.13 2.30 5.85 coo -14.64 87.74 89.51 -12.89 87.43 90.65 -1.72 1.66 -11.39 -3.36 0.47 -11.68 ULMN 3 1bd3_c01 URACIL PHOSPHORIBOSYLTRANSFERASE user 5 3 # 5 D 137 ARG B 132 ARG^? -2.94 O3 SO4 B 243s D 141 THR B 142 THR^? 10.75 O1 SO4 B 243 D 235 ASP B 107 ASP^? 18.02 O3 SO4 B 243 coo -8.33 92.80 100.06 -7.71 95.33 98.44 -3.03 30.55 13.28 -1.00 29.32 15.28 coo -9.24 93.49 108.77 -7.37 94.21 109.61 0.53 24.74 5.58 1.53 23.80 7.21 coo -14.64 87.74 89.51 -12.89 87.43 90.65 -16.27 29.29 14.31 -16.58 30.52 12.63 ULMN 3 1bd3_c01 URACIL PHOSPHORIBOSYLTRANSFERASE user 6 3 # 6 D 137 ARG B 132 ARG^? -2.94 O3 SO4 B 243s D 141 THR B 142 THR^? 10.75 O1 SO4 B 243 D 235 ASP B 157 ASP~? 15.61 O3 SO4 B 243 coo -8.33 92.80 100.06 -7.71 95.33 98.44 -3.03 30.55 13.28 -1.00 29.32 15.28 coo -9.24 93.49 108.77 -7.37 94.21 109.61 0.53 24.74 5.58 1.53 23.80 7.21 coo -14.64 87.74 89.51 -12.89 87.43 90.65 -12.32 32.41 21.01 -13.75 33.02 22.44 ULMN 3 1bd3_c01 URACIL PHOSPHORIBOSYLTRANSFERASE user 7 3 # 7 D 137 ARG B 132 ARG^? -2.94 O3 SO4 B 243s D 141 THR B 142 THR^? 10.75 O1 SO4 B 243 D 235 ASP B 168 ASP~? 6.50 O2 SO4 B 243 coo -8.33 92.80 100.06 -7.71 95.33 98.44 -3.03 30.55 13.28 -1.00 29.32 15.28 coo -9.24 93.49 108.77 -7.37 94.21 109.61 0.53 24.74 5.58 1.53 23.80 7.21 coo -14.64 87.74 89.51 -12.89 87.43 90.65 3.03 33.25 23.92 5.06 33.14 23.36 ULMN 3 1bd3_c01 URACIL PHOSPHORIBOSYLTRANSFERASE user 8 3 # 8 D 137 ARG B 232 ARG.? 20.69 O1 SO4 B 243 D 141 THR B 84 THR.? 24.74 O4 SO4 B 243 D 235 ASP B 201 ASP.? 28.94 O1 SO4 B 243 coo -8.33 92.80 100.06 -7.71 95.33 98.44 2.95 23.97 -2.41 0.09 24.88 -3.25 coo -9.24 93.49 108.77 -7.37 94.21 109.61 11.98 19.96 -1.70 13.71 19.47 -2.93 coo -14.64 87.74 89.51 -12.89 87.43 90.65 -6.53 20.97 -8.85 -5.67 22.23 -10.32 1bd3_c01 source 1bd3 URACIL PHOSPHORIBOSYLTRANSFERASE : 8 hits 1bd3_c01 naa= 3 ULMN 3 1bd3_c02 URACIL PHOSPHORIBOSYLTRANSFERASE user 1 3 # 1 C 137 ARG A 132 ARG^? -2.74 O1 SO4 A 243s C 141 THR A 142 THR^? 10.37 O3 SO4 A 243 C 235 ASP A 107 ASP^? 18.51 O1 SO4 A 243 coo -5.79 67.26 36.83 -4.57 64.58 37.74 16.18 -7.91 2.07 16.78 -6.68 4.89 coo -6.81 68.31 28.28 -4.82 68.47 27.57 7.56 -2.07 1.41 8.52 -1.14 3.08 coo -13.01 70.96 47.58 -11.44 71.65 46.34 23.22 -6.70 -8.91 22.86 -8.00 -10.43 ULMN 3 1bd3_c02 URACIL PHOSPHORIBOSYLTRANSFERASE user 2 3 # 2 C 137 ARG A 132 ARG^? -2.74 O1 SO4 A 243s C 141 THR A 142 THR^? 10.37 O3 SO4 A 243 C 235 ASP A 157 ASP~? 15.53 O1 SO4 A 243 coo -5.79 67.26 36.83 -4.57 64.58 37.74 16.18 -7.91 2.07 16.78 -6.68 4.89 coo -6.81 68.31 28.28 -4.82 68.47 27.57 7.56 -2.07 1.41 8.52 -1.14 3.08 coo -13.01 70.96 47.58 -11.44 71.65 46.34 27.16 -9.86 -2.28 29.16 -10.33 -2.80 ULMN 3 1bd3_c02 URACIL PHOSPHORIBOSYLTRANSFERASE user 3 3 # 3 C 137 ARG A 132 ARG^? -2.74 O1 SO4 A 243s C 141 THR A 142 THR^? 10.37 O3 SO4 A 243 C 235 ASP A 168 ASP~? 7.04 O4 SO4 A 243 coo -5.79 67.26 36.83 -4.57 64.58 37.74 16.18 -7.91 2.07 16.78 -6.68 4.89 coo -6.81 68.31 28.28 -4.82 68.47 27.57 7.56 -2.07 1.41 8.52 -1.14 3.08 coo -13.01 70.96 47.58 -11.44 71.65 46.34 22.19 -10.44 12.27 20.99 -10.59 13.96 ULMN 3 1bd3_c02 URACIL PHOSPHORIBOSYLTRANSFERASE user 4 3 # 4 C 137 ARG A 232 ARG.? 20.27 O3 SO4 A 243 C 141 THR A 84 THR.? 21.34 O3 SO4 A 243 C 235 ASP A 201 ASP.? 28.67 O3 SO4 A 243 coo -5.79 67.26 36.83 -4.57 64.58 37.74 -0.55 -1.37 -0.24 0.04 -2.25 -3.11 coo -6.81 68.31 28.28 -4.82 68.47 27.57 -4.12 1.64 7.70 -3.13 2.30 5.85 coo -13.01 70.96 47.58 -11.44 71.65 46.34 -1.72 1.66 -11.39 -3.36 0.47 -11.68 ULMN 3 1bd3_c02 URACIL PHOSPHORIBOSYLTRANSFERASE user 5 3 # 5 C 137 ARG B 132 ARG^? -2.94 O3 SO4 B 243s C 141 THR B 142 THR^? 10.75 O1 SO4 B 243 C 235 ASP B 107 ASP^? 18.02 O3 SO4 B 243 coo -5.79 67.26 36.83 -4.57 64.58 37.74 -3.03 30.55 13.28 -1.00 29.32 15.28 coo -6.81 68.31 28.28 -4.82 68.47 27.57 0.53 24.74 5.58 1.53 23.80 7.21 coo -13.01 70.96 47.58 -11.44 71.65 46.34 -16.27 29.29 14.31 -16.58 30.52 12.63 ULMN 3 1bd3_c02 URACIL PHOSPHORIBOSYLTRANSFERASE user 6 3 # 6 C 137 ARG B 132 ARG^? -2.94 O3 SO4 B 243s C 141 THR B 142 THR^? 10.75 O1 SO4 B 243 C 235 ASP B 157 ASP~? 15.61 O3 SO4 B 243 coo -5.79 67.26 36.83 -4.57 64.58 37.74 -3.03 30.55 13.28 -1.00 29.32 15.28 coo -6.81 68.31 28.28 -4.82 68.47 27.57 0.53 24.74 5.58 1.53 23.80 7.21 coo -13.01 70.96 47.58 -11.44 71.65 46.34 -12.32 32.41 21.01 -13.75 33.02 22.44 ULMN 3 1bd3_c02 URACIL PHOSPHORIBOSYLTRANSFERASE user 7 3 # 7 C 137 ARG B 132 ARG^? -2.94 O3 SO4 B 243s C 141 THR B 142 THR^? 10.75 O1 SO4 B 243 C 235 ASP B 168 ASP~? 6.50 O2 SO4 B 243 coo -5.79 67.26 36.83 -4.57 64.58 37.74 -3.03 30.55 13.28 -1.00 29.32 15.28 coo -6.81 68.31 28.28 -4.82 68.47 27.57 0.53 24.74 5.58 1.53 23.80 7.21 coo -13.01 70.96 47.58 -11.44 71.65 46.34 3.03 33.25 23.92 5.06 33.14 23.36 ULMN 3 1bd3_c02 URACIL PHOSPHORIBOSYLTRANSFERASE user 8 3 # 8 C 137 ARG B 232 ARG.? 20.69 O1 SO4 B 243 C 141 THR B 84 THR.? 24.74 O4 SO4 B 243 C 235 ASP B 201 ASP.? 28.94 O1 SO4 B 243 coo -5.79 67.26 36.83 -4.57 64.58 37.74 2.95 23.97 -2.41 0.09 24.88 -3.25 coo -6.81 68.31 28.28 -4.82 68.47 27.57 11.98 19.96 -1.70 13.71 19.47 -2.93 coo -13.01 70.96 47.58 -11.44 71.65 46.34 -6.53 20.97 -8.85 -5.67 22.23 -10.32 1bd3_c02 source 1bd3 URACIL PHOSPHORIBOSYLTRANSFERASE : 8 hits 1bd3_c02 naa= 3 ULMN 3 1bd3_c03 URACIL PHOSPHORIBOSYLTRANSFERASE user 1 3 # 1 B 137 ARG A 132 ARG^? -2.74 O1 SO4 A 243s B 141 THR A 142 THR^? 10.37 O3 SO4 A 243 B 235 ASP A 107 ASP^? 18.51 O1 SO4 A 243 coo 8.13 67.41 100.27 7.18 68.35 97.45 16.18 -7.91 2.07 16.78 -6.68 4.89 coo 8.28 67.78 108.81 6.22 67.65 109.43 7.56 -2.07 1.41 8.52 -1.14 3.08 coo 14.55 73.52 89.47 12.81 73.95 90.56 23.22 -6.70 -8.91 22.86 -8.00 -10.43 ULMN 3 1bd3_c03 URACIL PHOSPHORIBOSYLTRANSFERASE user 2 3 # 2 B 137 ARG A 132 ARG^? -2.74 O1 SO4 A 243s B 141 THR A 142 THR^? 10.37 O3 SO4 A 243 B 235 ASP A 168 ASP~? 7.04 O4 SO4 A 243 coo 8.13 67.41 100.27 7.18 68.35 97.45 16.18 -7.91 2.07 16.78 -6.68 4.89 coo 8.28 67.78 108.81 6.22 67.65 109.43 7.56 -2.07 1.41 8.52 -1.14 3.08 coo 14.55 73.52 89.47 12.81 73.95 90.56 22.19 -10.44 12.27 20.99 -10.59 13.96 ULMN 3 1bd3_c03 URACIL PHOSPHORIBOSYLTRANSFERASE user 3 3 # 3 B 137 ARG B 132 ARG^? -2.94 O3 SO4 B 243s B 141 THR B 142 THR^? 10.75 O1 SO4 B 243 B 235 ASP B 107 ASP^? 18.02 O3 SO4 B 243 coo 8.13 67.41 100.27 7.18 68.35 97.45 -3.03 30.55 13.28 -1.00 29.32 15.28 coo 8.28 67.78 108.81 6.22 67.65 109.43 0.53 24.74 5.58 1.53 23.80 7.21 coo 14.55 73.52 89.47 12.81 73.95 90.56 -16.27 29.29 14.31 -16.58 30.52 12.63 ULMN 3 1bd3_c03 URACIL PHOSPHORIBOSYLTRANSFERASE user 4 3 # 4 B 137 ARG B 132 ARG^? -2.94 O3 SO4 B 243s B 141 THR B 142 THR^? 10.75 O1 SO4 B 243 B 235 ASP B 157 ASP~? 15.61 O3 SO4 B 243 coo 8.13 67.41 100.27 7.18 68.35 97.45 -3.03 30.55 13.28 -1.00 29.32 15.28 coo 8.28 67.78 108.81 6.22 67.65 109.43 0.53 24.74 5.58 1.53 23.80 7.21 coo 14.55 73.52 89.47 12.81 73.95 90.56 -12.32 32.41 21.01 -13.75 33.02 22.44 ULMN 3 1bd3_c03 URACIL PHOSPHORIBOSYLTRANSFERASE user 5 3 # 5 B 137 ARG B 132 ARG^? -2.94 O3 SO4 B 243s B 141 THR B 142 THR^? 10.75 O1 SO4 B 243 B 235 ASP B 168 ASP~? 6.50 O2 SO4 B 243 coo 8.13 67.41 100.27 7.18 68.35 97.45 -3.03 30.55 13.28 -1.00 29.32 15.28 coo 8.28 67.78 108.81 6.22 67.65 109.43 0.53 24.74 5.58 1.53 23.80 7.21 coo 14.55 73.52 89.47 12.81 73.95 90.56 3.03 33.25 23.92 5.06 33.14 23.36 1bd3_c03 source 1bd3 URACIL PHOSPHORIBOSYLTRANSFERASE : 5 hits 1bd3_c03 naa= 3 ULMN 3 1be1_c02 GLUTAMATE MUTASE user 1 3 # 1 14 ASP B 204 ASP.? 26.31 O1 SO4 B 243 16 HIS B 229 HIS^? 22.78 O1 SO4 B 243 67 GLY A 83 GLY.? 24.12 O3 SO4 A 243 coo -11.04 -6.46 -7.27 -10.57 -4.40 -7.48 -4.03 18.39 -5.24 -3.87 19.29 -7.14 coo -6.73 -11.42 -7.86 -5.41 -11.61 -6.26 0.17 20.57 -3.28 -0.12 19.82 -5.21 coo 10.06 -0.59 -9.79 9.66 -0.34 -9.05 -5.18 4.73 9.69 -5.65 4.08 9.83 ULMN 3 1be1_c02 GLUTAMATE MUTASE user 2 3 # 2 14 ASP B 218 ASP~? 20.31 O1 SO4 B 243 16 HIS B 180 HIS^? 17.04 O1 SO4 B 243 67 GLY A 83 GLY.? 24.12 O3 SO4 A 243 coo -11.04 -6.46 -7.27 -10.57 -4.40 -7.48 -1.00 11.19 29.58 -0.84 10.48 27.56 coo -6.73 -11.42 -7.86 -5.41 -11.61 -6.26 3.74 13.87 25.77 2.21 13.26 27.09 coo 10.06 -0.59 -9.79 9.66 -0.34 -9.05 -5.18 4.73 9.69 -5.65 4.08 9.83 1be1_c02 source 1be1 GLUTAMATE MUTASE : 2 hits 1be1_c02 naa= 3 ULMN 3 1bgl_c08 BETA-GALACTOSIDASE user 1 3 # 1 A 461 GLU A 129 GLU^? 16.53 O1 SO4 A 243 A 503 TYR A 197 TYR~? 17.30 O1 SO4 A 243 A 537 GLU A 193 GLU~? 18.22 O3 SO4 A 243 coo 24.06 146.21 11.09 22.89 146.18 9.36 20.62 -2.18 -6.03 20.44 -1.20 -7.86 coo 15.91 140.69 8.32 15.71 143.39 9.13 9.27 -5.67 -7.32 11.22 -6.86 -8.96 coo 16.65 144.44 13.24 18.34 145.22 12.33 11.64 -2.46 -10.15 13.74 -2.34 -9.81 1bgl_c08 source 1bgl BETA-GALACTOSIDASE : 1 hits 1bgl_c08 naa= 3 ULMN 3 1bmt_c04 METHIONINE SYNTHASE (B12-BINDING DOMuser 1 3 # 1 A 757 ASP A 204 ASP.? 25.99 O3 SO4 A 243 A 759 HIS A 229 HIS^? 22.39 O3 SO4 A 243 A 810 SER A 195 SER~? 24.26 O3 SO4 A 243 coo 30.11 61.02 29.12 29.36 59.77 27.63 0.25 4.29 -7.71 -1.48 3.39 -8.50 coo 30.94 56.62 25.28 29.94 54.94 26.14 -0.05 2.05 -3.08 -1.62 2.78 -4.27 coo 25.05 62.74 29.97 26.88 61.45 29.19 4.31 -1.23 -10.07 4.20 -1.50 -12.49 ULMN 3 1bmt_c04 METHIONINE SYNTHASE (B12-BINDING DOMuser 2 3 # 2 A 757 ASP A 218 ASP~? 20.27 O4 SO4 A 243 A 759 HIS A 180 HIS^? 16.73 O4 SO4 A 243 A 810 SER A 216 SER~? 17.67 O4 SO4 A 243 coo 30.11 61.02 29.12 29.36 59.77 27.63 29.47 11.44 11.56 27.66 12.20 10.67 coo 30.94 56.62 25.28 29.94 54.94 26.14 23.63 8.86 13.89 25.45 9.53 13.13 coo 25.05 62.74 29.97 26.88 61.45 29.19 30.83 5.88 15.05 31.15 4.16 16.65 ULMN 3 1bmt_c04 METHIONINE SYNTHASE (B12-BINDING DOMuser 3 3 # 3 A 757 ASP B 204 ASP.? 26.31 O1 SO4 B 243 A 759 HIS B 229 HIS^? 22.78 O1 SO4 B 243 A 810 SER B 195 SER~? 24.29 O1 SO4 B 243 coo 30.11 61.02 29.12 29.36 59.77 27.63 -4.03 18.39 -5.24 -3.87 19.29 -7.14 coo 30.94 56.62 25.28 29.94 54.94 26.14 0.17 20.57 -3.28 -0.12 19.82 -5.21 coo 25.05 62.74 29.97 26.88 61.45 29.19 -8.00 23.84 -2.71 -9.97 24.14 -3.95 ULMN 3 1bmt_c04 METHIONINE SYNTHASE (B12-BINDING DOMuser 4 3 # 4 A 757 ASP B 218 ASP~? 20.31 O1 SO4 B 243 A 759 HIS B 180 HIS^? 17.04 O1 SO4 B 243 A 810 SER B 216 SER~? 17.87 O2 SO4 B 243 coo 30.11 61.02 29.12 29.36 59.77 27.63 -1.00 11.19 29.58 -0.84 10.48 27.56 coo 30.94 56.62 25.28 29.94 54.94 26.14 3.74 13.87 25.77 2.21 13.26 27.09 coo 25.05 62.74 29.97 26.88 61.45 29.19 1.32 16.90 32.57 2.26 18.83 33.69 1bmt_c04 source 1bmt METHIONINE SYNTHASE (B12-BINDING DOMAINS) (E.C: 4 hits 1bmt_c04 naa= 3 ULMN 3 1bmt_c05 METHIONINE SYNTHASE (B12-BINDING DOMuser 1 3 # 1 B 757 ASP A 204 ASP.? 25.99 O3 SO4 A 243 B 759 HIS A 229 HIS^? 22.39 O3 SO4 A 243 B 810 SER A 195 SER~? 24.26 O3 SO4 A 243 coo -2.30 64.08 6.41 -0.36 64.72 6.26 0.25 4.29 -7.71 -1.48 3.39 -8.50 coo 1.96 66.39 3.07 2.10 68.48 3.58 -0.05 2.05 -3.08 -1.62 2.78 -4.27 coo -1.50 63.90 11.86 -1.31 64.33 9.52 4.31 -1.23 -10.07 4.20 -1.50 -12.49 ULMN 3 1bmt_c05 METHIONINE SYNTHASE (B12-BINDING DOMuser 2 3 # 2 B 757 ASP A 218 ASP~? 20.27 O4 SO4 A 243 B 759 HIS A 180 HIS^? 16.73 O4 SO4 A 243 B 810 SER A 216 SER~? 17.67 O4 SO4 A 243 coo -2.30 64.08 6.41 -0.36 64.72 6.26 29.47 11.44 11.56 27.66 12.20 10.67 coo 1.96 66.39 3.07 2.10 68.48 3.58 23.63 8.86 13.89 25.45 9.53 13.13 coo -1.50 63.90 11.86 -1.31 64.33 9.52 30.83 5.88 15.05 31.15 4.16 16.65 ULMN 3 1bmt_c05 METHIONINE SYNTHASE (B12-BINDING DOMuser 3 3 # 3 B 757 ASP B 204 ASP.? 26.31 O1 SO4 B 243 B 759 HIS B 229 HIS^? 22.78 O1 SO4 B 243 B 810 SER B 195 SER~? 24.29 O1 SO4 B 243 coo -2.30 64.08 6.41 -0.36 64.72 6.26 -4.03 18.39 -5.24 -3.87 19.29 -7.14 coo 1.96 66.39 3.07 2.10 68.48 3.58 0.17 20.57 -3.28 -0.12 19.82 -5.21 coo -1.50 63.90 11.86 -1.31 64.33 9.52 -8.00 23.84 -2.71 -9.97 24.14 -3.95 ULMN 3 1bmt_c05 METHIONINE SYNTHASE (B12-BINDING DOMuser 4 3 # 4 B 757 ASP B 218 ASP~? 20.31 O1 SO4 B 243 B 759 HIS B 180 HIS^? 17.04 O1 SO4 B 243 B 810 SER B 216 SER~? 17.87 O2 SO4 B 243 coo -2.30 64.08 6.41 -0.36 64.72 6.26 -1.00 11.19 29.58 -0.84 10.48 27.56 coo 1.96 66.39 3.07 2.10 68.48 3.58 3.74 13.87 25.77 2.21 13.26 27.09 coo -1.50 63.90 11.86 -1.31 64.33 9.52 1.32 16.90 32.57 2.26 18.83 33.69 1bmt_c05 source 1bmt METHIONINE SYNTHASE (B12-BINDING DOMAINS) (E.C: 4 hits 1bmt_c05 naa= 3 ULMN 3 1bp2_c00 PHOSPHOLIPASE A2 (E.C.3.1.1.4) (PHOSuser 1 3 # 1 30 GLY A 155 GLY~? 16.12 O1 SO4 A 243 48 HIS A 106 HIS^? 13.08 O1 SO4 A 243 99 ASP A 107 ASP^? 18.51 O1 SO4 A 243 coo 12.38 5.55 24.25 13.27 5.59 24.39 32.17 -9.95 0.50 31.84 -9.33 0.84 coo 18.80 12.68 24.53 17.69 13.54 26.08 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo 17.07 18.51 26.62 16.67 17.07 28.09 23.22 -6.70 -8.91 22.86 -8.00 -10.43 ULMN 3 1bp2_c00 PHOSPHOLIPASE A2 (E.C.3.1.1.4) (PHOSuser 2 3 # 2 30 GLY B 155 GLY~? 16.11 O3 SO4 B 243 48 HIS B 106 HIS^? 13.01 O3 SO4 B 243 99 ASP B 107 ASP^? 18.02 O3 SO4 B 243 coo 12.38 5.55 24.25 13.27 5.59 24.39 -12.14 32.63 26.81 -11.73 31.99 26.60 coo 18.80 12.68 24.53 17.69 13.54 26.08 -11.40 33.04 16.07 -11.74 35.05 16.56 coo 17.07 18.51 26.62 16.67 17.07 28.09 -16.27 29.29 14.31 -16.58 30.52 12.63 1bp2_c00 source 1bp2 PHOSPHOLIPASE A2 (E.C.3.1.1.4) (PHOSPHATIDE AC: 2 hits 1bp2_c00 naa= 3 ULMN 3 1bs0_c01 8-AMINO-7-OXONANOATE SYNTHASE user 1 3 # 1 A 109 PHE A 153 PHE.? 12.36 O4 SO4 A 243 A 205 ASP A 218 ASP~? 20.27 O4 SO4 A 243 A 236 LYS A 118 LYS~? 14.73 O3 SO4 A 243 coo 4.14 2.10 36.34 6.69 3.08 36.92 30.19 -3.32 5.04 29.59 -1.30 6.90 coo 0.29 -1.62 50.50 1.21 -2.50 52.18 29.47 11.44 11.56 27.66 12.20 10.67 coo 6.34 -8.87 44.53 6.49 -3.84 42.65 25.35 9.54 0.37 20.43 7.24 0.70 ULMN 3 1bs0_c01 8-AMINO-7-OXONANOATE SYNTHASE user 2 3 # 2 A 109 PHE A 159 PHE~? 12.70 O1 SO4 A 243 A 205 ASP A 162 ASP.? 11.51 O1 SO4 A 243 A 236 LYS A 131 LYS^? 17.03 O1 SO4 A 243 coo 4.14 2.10 36.34 6.69 3.08 36.92 27.57 -12.73 4.97 30.30 -13.19 5.58 coo 0.29 -1.62 50.50 1.21 -2.50 52.18 14.78 -15.75 1.96 14.18 -15.13 0.01 coo 6.34 -8.87 44.53 6.49 -3.84 42.65 16.33 -5.43 -3.31 16.51 -3.10 -9.13 ULMN 3 1bs0_c01 8-AMINO-7-OXONANOATE SYNTHASE user 3 3 # 3 A 109 PHE B 153 PHE.? 12.55 O2 SO4 B 243 A 205 ASP B 218 ASP~? 20.31 O1 SO4 B 243 A 236 LYS B 118 LYS~? 15.88 O1 SO4 B 243 coo 4.14 2.10 36.34 6.69 3.08 36.92 -7.24 26.05 27.13 -5.40 23.96 27.37 coo 0.29 -1.62 50.50 1.21 -2.50 52.18 -1.00 11.19 29.58 -0.84 10.48 27.56 coo 6.34 -8.87 44.53 6.49 -3.84 42.65 -8.85 13.11 20.72 -7.39 14.71 15.31 ULMN 3 1bs0_c01 8-AMINO-7-OXONANOATE SYNTHASE user 4 3 # 4 A 109 PHE B 159 PHE~? 12.51 O3 SO4 B 243 A 205 ASP B 162 ASP.? 11.47 O3 SO4 B 243 A 236 LYS B 131 LYS^? 17.11 O1 SO4 B 243 coo 4.14 2.10 36.34 6.69 3.08 36.92 -6.17 35.50 24.73 -6.58 35.92 27.48 coo 0.29 -1.62 50.50 1.21 -2.50 52.18 -2.91 38.69 12.19 -3.85 37.85 10.43 coo 6.34 -8.87 44.53 6.49 -3.84 42.65 -7.93 28.07 10.94 -13.10 25.67 8.39 1bs0_c01 source 1bs0 8-AMINO-7-OXONANOATE SYNTHASE : 4 hits 1bs0_c01 naa= 3 ULMN 3 1bs4_c00 PEPTIDE DEFORMYLASE user 1 3 # 1 A 50 GLN A 120 GLN~? 23.42 O3 SO4 A 243 A 91 LEU A 119 LEU~? 16.15 O3 SO4 A 243 A 133 GLU A 117 GLU~? 25.40 O3 SO4 A 243 coo 43.58 43.67 66.73 42.32 42.78 68.15 30.23 10.91 2.84 30.65 12.97 2.37 coo 38.58 45.09 70.44 38.28 45.21 72.59 28.08 5.51 0.47 26.58 3.94 0.74 coo 44.05 36.87 70.65 43.15 38.64 69.97 27.34 13.07 -4.01 26.27 14.77 -4.79 ULMN 3 1bs4_c00 PEPTIDE DEFORMYLASE user 2 3 # 2 A 50 GLN B 120 GLN~? 22.87 O1 SO4 B 243 A 91 LEU B 119 LEU~? 15.74 O1 SO4 B 243 A 133 GLU B 117 GLU~? 24.79 O1 SO4 B 243 coo 43.58 43.67 66.73 42.32 42.78 68.15 -9.14 11.68 26.22 -10.52 10.19 25.57 coo 38.58 45.09 70.44 38.28 45.21 72.59 -10.08 17.19 23.08 -9.19 18.75 22.06 coo 44.05 36.87 70.65 43.15 38.64 69.97 -13.76 9.47 20.61 -15.59 10.28 21.49 1bs4_c00 source 1bs4 PEPTIDE DEFORMYLASE : 2 hits 1bs4_c00 naa= 3 ULMN 3 1bs4_c01 PEPTIDE DEFORMYLASE user 1 3 # 1 B 550 GLN A 120 GLN~? 23.42 O3 SO4 A 243 B 591 LEU A 119 LEU~? 16.15 O3 SO4 A 243 B 633 GLU A 117 GLU~? 25.40 O3 SO4 A 243 coo 88.06 44.34 57.19 89.06 45.53 55.74 30.23 10.91 2.84 30.65 12.97 2.37 coo 86.70 48.66 52.61 87.15 48.69 50.51 28.08 5.51 0.47 26.58 3.94 0.74 coo 95.42 44.52 54.43 93.46 45.31 54.70 27.34 13.07 -4.01 26.27 14.77 -4.79 ULMN 3 1bs4_c01 PEPTIDE DEFORMYLASE user 2 3 # 2 B 550 GLN B 120 GLN~? 22.87 O1 SO4 B 243 B 591 LEU B 119 LEU~? 15.74 O1 SO4 B 243 B 633 GLU B 117 GLU~? 24.79 O1 SO4 B 243 coo 88.06 44.34 57.19 89.06 45.53 55.74 -9.14 11.68 26.22 -10.52 10.19 25.57 coo 86.70 48.66 52.61 87.15 48.69 50.51 -10.08 17.19 23.08 -9.19 18.75 22.06 coo 95.42 44.52 54.43 93.46 45.31 54.70 -13.76 9.47 20.61 -15.59 10.28 21.49 1bs4_c01 source 1bs4 PEPTIDE DEFORMYLASE : 2 hits 1bs4_c01 naa= 3 ULMN 3 1bs4_c02 PEPTIDE DEFORMYLASE user 1 3 # 1 C1050 GLN A 120 GLN~? 23.42 O3 SO4 A 243 C1091 LEU A 119 LEU~? 16.15 O3 SO4 A 243 C1133 GLU A 117 GLU~? 25.40 O3 SO4 A 243 coo 68.29 34.44 43.03 66.67 34.74 44.37 30.23 10.91 2.84 30.65 12.97 2.37 coo 65.83 38.95 47.05 65.46 38.90 49.20 28.08 5.51 0.47 26.58 3.94 0.74 coo 63.14 29.39 46.25 63.84 31.31 45.74 27.34 13.07 -4.01 26.27 14.77 -4.79 ULMN 3 1bs4_c02 PEPTIDE DEFORMYLASE user 2 3 # 2 C1050 GLN B 120 GLN~? 22.87 O1 SO4 B 243 C1091 LEU B 119 LEU~? 15.74 O1 SO4 B 243 C1133 GLU B 117 GLU~? 24.79 O1 SO4 B 243 coo 68.29 34.44 43.03 66.67 34.74 44.37 -9.14 11.68 26.22 -10.52 10.19 25.57 coo 65.83 38.95 47.05 65.46 38.90 49.20 -10.08 17.19 23.08 -9.19 18.75 22.06 coo 63.14 29.39 46.25 63.84 31.31 45.74 -13.76 9.47 20.61 -15.59 10.28 21.49 1bs4_c02 source 1bs4 PEPTIDE DEFORMYLASE : 2 hits 1bs4_c02 naa= 3 ULMN 3 1bsj_c00 PEPTIDE DEFORMYLASE user 1 3 # 1 A 50 GLN A 120 GLN~? 23.42 O3 SO4 A 243 A 91 LEU A 119 LEU~? 16.15 O3 SO4 A 243 A 133 GLU A 117 GLU~? 25.40 O3 SO4 A 243 coo 38.23 53.34 67.59 38.84 53.87 69.56 30.23 10.91 2.84 30.65 12.97 2.37 coo 35.40 53.22 73.30 35.37 54.87 74.74 28.08 5.51 0.47 26.58 3.94 0.74 coo 45.08 56.04 70.60 43.15 55.19 70.77 27.34 13.07 -4.01 26.27 14.77 -4.79 ULMN 3 1bsj_c00 PEPTIDE DEFORMYLASE user 2 3 # 2 A 50 GLN B 120 GLN~? 22.87 O1 SO4 B 243 A 91 LEU B 119 LEU~? 15.74 O1 SO4 B 243 A 133 GLU B 117 GLU~? 24.79 O1 SO4 B 243 coo 38.23 53.34 67.59 38.84 53.87 69.56 -9.14 11.68 26.22 -10.52 10.19 25.57 coo 35.40 53.22 73.30 35.37 54.87 74.74 -10.08 17.19 23.08 -9.19 18.75 22.06 coo 45.08 56.04 70.60 43.15 55.19 70.77 -13.76 9.47 20.61 -15.59 10.28 21.49 1bsj_c00 source 1bsj PEPTIDE DEFORMYLASE : 2 hits 1bsj_c00 naa= 3 ULMN 3 1bxr_c00 CARBAMOYL-PHOSPHATE SYNTHASE user 1 3 # 1 F 269 CYH A 223 CYH^? 13.89 O3 SO4 A 243 F 353 HIS A 147 HIS^? 14.45 O3 SO4 A 243 F 355 GLU A 129 GLU^? 16.53 O1 SO4 A 243 coo 18.82 112.01 71.04 17.41 109.69 71.95 21.69 3.75 2.44 22.79 4.57 -0.06 coo 19.82 107.03 67.63 19.24 107.06 69.63 22.73 1.14 -3.20 21.31 1.29 -4.76 coo 25.34 105.41 66.70 23.67 106.48 67.30 20.62 -2.18 -6.03 20.44 -1.20 -7.86 ULMN 3 1bxr_c00 CARBAMOYL-PHOSPHATE SYNTHASE user 2 3 # 2 F 269 CYH B 223 CYH^? 13.65 O1 SO4 B 243 F 353 HIS B 147 HIS^? 14.18 O1 SO4 B 243 F 355 GLU B 129 GLU^? 16.54 O1 SO4 B 243 coo 18.82 112.01 71.04 17.41 109.69 71.95 -5.44 18.90 18.45 -8.10 18.07 18.26 coo 19.82 107.03 67.63 19.24 107.06 69.63 -10.85 21.55 16.70 -11.51 21.37 14.71 coo 25.34 105.41 66.70 23.67 106.48 67.30 -12.39 24.89 13.45 -13.91 23.80 12.41 1bxr_c00 source 1bxr CARBAMOYL-PHOSPHATE SYNTHASE : 2 hits 1bxr_c00 naa= 3 ULMN 3 1bxr_c01 CARBAMOYL-PHOSPHATE SYNTHASE user 1 3 # 1 H 269 CYH A 223 CYH^? 13.89 O3 SO4 A 243 H 353 HIS A 147 HIS^? 14.45 O3 SO4 A 243 H 355 GLU A 129 GLU^? 16.53 O1 SO4 A 243 coo 10.23 -42.92 -46.59 8.57 -40.69 -47.15 21.69 3.75 2.44 22.79 4.57 -0.06 coo 11.78 -37.81 -43.38 10.78 -37.87 -45.19 22.73 1.14 -3.20 21.31 1.29 -4.76 coo 17.02 -36.36 -43.72 15.28 -37.51 -44.03 20.62 -2.18 -6.03 20.44 -1.20 -7.86 ULMN 3 1bxr_c01 CARBAMOYL-PHOSPHATE SYNTHASE user 2 3 # 2 H 269 CYH B 223 CYH^? 13.65 O1 SO4 B 243 H 353 HIS B 147 HIS^? 14.18 O1 SO4 B 243 H 355 GLU B 129 GLU^? 16.54 O1 SO4 B 243 coo 10.23 -42.92 -46.59 8.57 -40.69 -47.15 -5.44 18.90 18.45 -8.10 18.07 18.26 coo 11.78 -37.81 -43.38 10.78 -37.87 -45.19 -10.85 21.55 16.70 -11.51 21.37 14.71 coo 17.02 -36.36 -43.72 15.28 -37.51 -44.03 -12.39 24.89 13.45 -13.91 23.80 12.41 1bxr_c01 source 1bxr CARBAMOYL-PHOSPHATE SYNTHASE : 2 hits 1bxr_c01 naa= 3 ULMN 3 1bxr_c02 CARBAMOYL-PHOSPHATE SYNTHASE user 1 3 # 1 B 269 CYH A 223 CYH^? 13.89 O3 SO4 A 243 B 353 HIS A 147 HIS^? 14.45 O3 SO4 A 243 B 355 GLU A 129 GLU^? 16.53 O1 SO4 A 243 coo 22.02 52.06 108.33 23.30 53.71 106.28 21.69 3.75 2.44 22.79 4.57 -0.06 coo 20.17 51.43 102.33 20.91 53.22 103.13 22.73 1.14 -3.20 21.31 1.29 -4.76 coo 14.96 51.49 101.15 16.69 51.40 102.30 20.62 -2.18 -6.03 20.44 -1.20 -7.86 ULMN 3 1bxr_c02 CARBAMOYL-PHOSPHATE SYNTHASE user 2 3 # 2 B 269 CYH B 223 CYH^? 13.65 O1 SO4 B 243 B 353 HIS B 147 HIS^? 14.18 O1 SO4 B 243 B 355 GLU B 129 GLU^? 16.54 O1 SO4 B 243 coo 22.02 52.06 108.33 23.30 53.71 106.28 -5.44 18.90 18.45 -8.10 18.07 18.26 coo 20.17 51.43 102.33 20.91 53.22 103.13 -10.85 21.55 16.70 -11.51 21.37 14.71 coo 14.96 51.49 101.15 16.69 51.40 102.30 -12.39 24.89 13.45 -13.91 23.80 12.41 1bxr_c02 source 1bxr CARBAMOYL-PHOSPHATE SYNTHASE : 2 hits 1bxr_c02 naa= 3 ULMN 3 1bxr_c03 CARBAMOYL-PHOSPHATE SYNTHASE user 1 3 # 1 D 269 CYH A 223 CYH^? 13.89 O3 SO4 A 243 D 353 HIS A 147 HIS^? 14.45 O3 SO4 A 243 D 355 GLU A 129 GLU^? 16.53 O1 SO4 A 243 coo 6.14 16.68 -83.37 8.12 15.35 -81.77 21.69 3.75 2.44 22.79 4.57 -0.06 coo 5.55 17.41 -77.20 6.45 15.85 -78.23 22.73 1.14 -3.20 21.31 1.29 -4.76 coo 0.63 16.97 -75.01 2.03 17.19 -76.56 20.62 -2.18 -6.03 20.44 -1.20 -7.86 ULMN 3 1bxr_c03 CARBAMOYL-PHOSPHATE SYNTHASE user 2 3 # 2 D 269 CYH B 223 CYH^? 13.65 O1 SO4 B 243 D 353 HIS B 147 HIS^? 14.18 O1 SO4 B 243 D 355 GLU B 129 GLU^? 16.54 O1 SO4 B 243 coo 6.14 16.68 -83.37 8.12 15.35 -81.77 -5.44 18.90 18.45 -8.10 18.07 18.26 coo 5.55 17.41 -77.20 6.45 15.85 -78.23 -10.85 21.55 16.70 -11.51 21.37 14.71 coo 0.63 16.97 -75.01 2.03 17.19 -76.56 -12.39 24.89 13.45 -13.91 23.80 12.41 1bxr_c03 source 1bxr CARBAMOYL-PHOSPHATE SYNTHASE : 2 hits 1bxr_c03 naa= 3 ULMN 3 1c4x_c00 2-HYDROXY-6-OXO-6-PHENYLHEXA-2,4-DIEuser 1 3 # 1 A 110 SER A 105 SER^? 14.75 O1 SO4 A 243 A 235 ASP A 157 ASP~? 15.53 O1 SO4 A 243 A 263 HIS A 106 HIS^? 13.08 O1 SO4 A 243 coo 30.32 56.27 16.76 31.62 57.99 17.94 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo 31.33 62.80 9.68 31.68 62.04 11.62 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo 30.23 62.32 14.77 30.86 60.47 15.53 22.50 -10.50 -3.88 23.13 -12.51 -3.91 ULMN 3 1c4x_c00 2-HYDROXY-6-OXO-6-PHENYLHEXA-2,4-DIEuser 2 3 # 2 A 110 SER B 105 SER^? 14.66 O3 SO4 B 243 A 235 ASP B 157 ASP~? 15.61 O3 SO4 B 243 A 263 HIS B 106 HIS^? 13.01 O3 SO4 B 243 coo 30.32 56.27 16.76 31.62 57.99 17.94 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 31.33 62.80 9.68 31.68 62.04 11.62 -12.32 32.41 21.01 -13.75 33.02 22.44 coo 30.23 62.32 14.77 30.86 60.47 15.53 -11.40 33.04 16.07 -11.74 35.05 16.56 1c4x_c00 source 1c4x 2-HYDROXY-6-OXO-6-PHENYLHEXA-2,4-DIENOATE HYDR: 2 hits 1c4x_c00 naa= 3 ULMN 3 1c54_c00 RIBONUCLEASE SA user 1 3 # 1 A 54 GLU A 129 GLU^? 16.53 O1 SO4 A 243 A 65 ARG A 132 ARG^? -2.74 O1 SO4 A 243s A 85 HIS A 106 HIS^? 13.08 O1 SO4 A 243 coo -3.75 5.08 -16.45 -4.49 7.03 -16.67 20.62 -2.18 -6.03 20.44 -1.20 -7.86 coo -11.31 0.89 -21.51 -13.74 2.37 -20.15 16.18 -7.91 2.07 16.78 -6.68 4.89 coo -11.98 -0.40 -12.41 -12.65 1.37 -13.15 22.50 -10.50 -3.88 23.13 -12.51 -3.91 1c54_c00 source 1c54 RIBONUCLEASE SA : 1 hits 1c54_c00 naa= 3 ULMN 3 1c82_c00 HYALURONATE LYASE user 1 3 # 1 A 349 ASN A 181 ASN^? 11.66 O3 SO4 A 243 A 399 HIS A 167 HIS~? -3.76 O4 SO4 A 243s A 408 TYR A 222 TYR^? 7.75 O4 SO4 A 243 coo 11.39 -18.14 26.77 11.56 -16.76 28.37 19.53 6.32 10.38 17.67 6.06 11.34 coo 13.02 -18.02 35.24 12.75 -16.25 34.15 20.59 -3.79 11.26 20.06 -1.97 10.36 coo 7.81 -17.82 32.55 9.60 -15.69 32.78 23.05 0.50 5.53 21.22 0.35 7.67 ULMN 3 1c82_c00 HYALURONATE LYASE user 2 3 # 2 A 349 ASN B 181 ASN^? 11.58 O1 SO4 B 243 A 399 HIS B 167 HIS~? -3.98 O2 SO4 B 243s A 408 TYR B 222 TYR^? 7.39 O1 SO4 B 243 coo 11.39 -18.14 26.77 11.56 -16.76 28.37 2.76 16.58 20.36 4.48 16.80 19.15 coo 13.02 -18.02 35.24 12.75 -16.25 34.15 2.71 26.62 21.63 2.19 24.83 20.66 coo 7.81 -17.82 32.55 9.60 -15.69 32.78 -3.31 22.23 21.14 -0.55 22.44 20.59 1c82_c00 source 1c82 HYALURONATE LYASE : 2 hits 1c82_c00 naa= 3 ULMN 3 1cb7_c06 GLUTAMATE MUTASE user 1 3 # 1 A 14 ASP A 168 ASP~? 7.04 O4 SO4 A 243 A 16 HIS A 167 HIS~? -3.76 O4 SO4 A 243s A 67 GLY A 163 GLY.? 7.75 O1 SO4 A 243 coo 11.02 -13.08 77.25 10.70 -11.13 76.52 22.19 -10.44 12.27 20.99 -10.59 13.96 coo 7.44 -8.54 76.22 7.57 -7.67 78.12 20.59 -3.79 11.26 20.06 -1.97 10.36 coo 18.64 -11.26 77.99 18.99 -11.13 78.72 15.39 -14.35 6.30 16.02 -13.97 5.93 1cb7_c06 source 1cb7 GLUTAMATE MUTASE : 1 hits 1cb7_c06 naa= 3 ULMN 3 1cb7_c07 GLUTAMATE MUTASE user 1 3 # 1 C 14 ASP B 157 ASP~? 15.61 O3 SO4 B 243 C 16 HIS B 106 HIS^? 13.01 O3 SO4 B 243 C 67 GLY B 155 GLY~? 16.11 O3 SO4 B 243 coo 10.04 44.27 88.44 9.47 42.32 89.03 -12.32 32.41 21.01 -13.75 33.02 22.44 coo 6.38 39.80 88.71 6.88 38.89 86.87 -11.40 33.04 16.07 -11.74 35.05 16.56 coo 17.63 42.50 89.25 18.11 42.29 88.64 -12.14 32.63 26.81 -11.73 31.99 26.60 1cb7_c07 source 1cb7 GLUTAMATE MUTASE : 1 hits 1cb7_c07 naa= 3 ULMN 3 1cb8_c00 CHONDROITINASE AC user 1 3 # 1 A 175 ASN A 181 ASN^? 11.66 O3 SO4 A 243 A 225 HIS A 167 HIS~? -3.76 O4 SO4 A 243s A 234 TYR A 222 TYR^? 7.75 O4 SO4 A 243 coo 26.32 35.76 46.63 26.28 33.63 46.67 19.53 6.32 10.38 17.67 6.06 11.34 coo 27.04 28.61 41.75 26.86 28.65 43.84 20.59 -3.79 11.26 20.06 -1.97 10.36 coo 21.80 30.48 43.67 23.70 29.06 45.12 23.05 0.50 5.53 21.22 0.35 7.67 ULMN 3 1cb8_c00 CHONDROITINASE AC user 2 3 # 2 A 175 ASN B 181 ASN^? 11.58 O1 SO4 B 243 A 225 HIS B 167 HIS~? -3.98 O2 SO4 B 243s A 234 TYR B 222 TYR^? 7.39 O1 SO4 B 243 coo 26.32 35.76 46.63 26.28 33.63 46.67 2.76 16.58 20.36 4.48 16.80 19.15 coo 27.04 28.61 41.75 26.86 28.65 43.84 2.71 26.62 21.63 2.19 24.83 20.66 coo 21.80 30.48 43.67 23.70 29.06 45.12 -3.31 22.23 21.14 -0.55 22.44 20.59 1cb8_c00 source 1cb8 CHONDROITINASE AC : 2 hits 1cb8_c00 naa= 3 ULMN 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 1 3 # 1 229 ASP A 199 ASP~? 23.37 O3 SO4 A 243 264 GLU A 208 GLU^? 18.11 O3 SO4 A 243 328 ASP A 204 ASP.? 25.99 O3 SO4 A 243 coo 45.62 80.42 43.69 45.65 82.01 45.07 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 coo 59.69 92.71 39.85 58.53 92.03 41.47 11.78 7.44 -1.74 12.80 8.58 -3.28 coo 45.39 90.72 40.63 45.07 89.14 41.90 0.25 4.29 -7.71 -1.48 3.39 -8.50 ULMN 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 2 3 # 2 229 ASP A 201 ASP.? 28.67 O3 SO4 A 243 264 GLU A 85 GLU^? 18.44 O3 SO4 A 243 328 ASP A 199 ASP~? 23.37 O3 SO4 A 243 coo 45.62 80.42 43.69 45.65 82.01 45.07 -1.72 1.66 -11.39 -3.36 0.47 -11.68 coo 59.69 92.71 39.85 58.53 92.03 41.47 -1.14 -2.38 7.04 -1.17 -2.16 4.90 coo 45.39 90.72 40.63 45.07 89.14 41.90 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 ULMN 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 3 3 # 3 229 ASP B 199 ASP~? 23.68 O1 SO4 B 243 264 GLU B 208 GLU^? 18.08 O1 SO4 B 243 328 ASP B 204 ASP.? 26.31 O1 SO4 B 243 coo 45.62 80.42 43.69 45.65 82.01 45.07 -3.04 28.39 -4.12 -2.88 29.28 -6.05 coo 59.69 92.71 39.85 58.53 92.03 41.47 -4.22 15.23 7.76 -6.03 14.17 7.93 coo 45.39 90.72 40.63 45.07 89.14 41.90 -4.03 18.39 -5.24 -3.87 19.29 -7.14 ULMN 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 4 3 # 4 229 ASP B 201 ASP.? 28.94 O1 SO4 B 243 264 GLU B 85 GLU.? 16.99 O4 SO4 B 243 328 ASP B 199 ASP~? 23.68 O1 SO4 B 243 coo 45.62 80.42 43.69 45.65 82.01 45.07 -6.53 20.97 -8.85 -5.67 22.23 -10.32 coo 59.69 92.71 39.85 58.53 92.03 41.47 9.76 23.94 2.05 8.62 25.57 1.44 coo 45.39 90.72 40.63 45.07 89.14 41.90 -3.04 28.39 -4.12 -2.88 29.28 -6.05 1cdg_c00 source 1cdg CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.C.2.4.1.19: 4 hits 1cdg_c00 naa= 3 ULMN 3 1cjy_c00 CYTOSOLIC PHOSPHOLIPASE A2 user 1 3 # 1 A 198 GLY A 163 GLY.? 7.75 O1 SO4 A 243 A 228 SER A 165 SER~? -3.54 O4 SO4 A 243s A 549 ASP A 168 ASP~? 7.04 O4 SO4 A 243 coo 43.62 -9.31 54.06 43.04 -9.29 54.58 15.39 -14.35 6.30 16.02 -13.97 5.93 coo 45.99 -4.81 58.63 47.02 -6.84 57.75 19.07 -9.91 9.21 19.35 -8.74 11.27 coo 51.69 -5.84 58.91 49.67 -6.52 58.93 22.19 -10.44 12.27 20.99 -10.59 13.96 ULMN 3 1cjy_c00 CYTOSOLIC PHOSPHOLIPASE A2 user 2 3 # 2 A 198 GLY B 163 GLY.? 7.63 O3 SO4 B 243 A 228 SER B 165 SER~? -3.42 O2 SO4 B 243s A 549 ASP B 168 ASP~? 6.50 O2 SO4 B 243 coo 43.62 -9.31 54.06 43.04 -9.29 54.58 0.69 37.21 14.78 0.08 36.90 15.18 coo 45.99 -4.81 58.63 47.02 -6.84 57.75 1.56 32.88 19.47 3.32 31.88 20.79 coo 51.69 -5.84 58.91 49.67 -6.52 58.93 3.03 33.25 23.92 5.06 33.14 23.36 1cjy_c00 source 1cjy CYTOSOLIC PHOSPHOLIPASE A2 : 2 hits 1cjy_c00 naa= 3 ULMN 3 1cjy_c01 CYTOSOLIC PHOSPHOLIPASE A2 user 1 3 # 1 B1198 GLY A 163 GLY.? 7.75 O1 SO4 A 243 B1228 SER A 165 SER~? -3.54 O4 SO4 A 243s B1549 ASP A 168 ASP~? 7.04 O4 SO4 A 243 coo 126.34 72.75 125.66 125.95 73.27 126.11 15.39 -14.35 6.30 16.02 -13.97 5.93 coo 131.65 74.68 129.41 130.31 72.73 128.82 19.07 -9.91 9.21 19.35 -8.74 11.27 coo 134.72 69.43 130.42 133.03 70.65 130.08 22.19 -10.44 12.27 20.99 -10.59 13.96 ULMN 3 1cjy_c01 CYTOSOLIC PHOSPHOLIPASE A2 user 2 3 # 2 B1198 GLY B 163 GLY.? 7.63 O3 SO4 B 243 B1228 SER B 165 SER~? -3.42 O2 SO4 B 243s B1549 ASP B 168 ASP~? 6.50 O2 SO4 B 243 coo 126.34 72.75 125.66 125.95 73.27 126.11 0.69 37.21 14.78 0.08 36.90 15.18 coo 131.65 74.68 129.41 130.31 72.73 128.82 1.56 32.88 19.47 3.32 31.88 20.79 coo 134.72 69.43 130.42 133.03 70.65 130.08 3.03 33.25 23.92 5.06 33.14 23.36 1cjy_c01 source 1cjy CYTOSOLIC PHOSPHOLIPASE A2 : 2 hits 1cjy_c01 naa= 3 ULMN 3 1cms_c04 CHYMOSIN B (FORMERLY KNOWN AS RENNINuser 1 3 # 1 34 ASP A 107 ASP^? 18.51 O1 SO4 A 243 37 SER A 105 SER^? 14.75 O1 SO4 A 243 216 ASP A 157 ASP~? 15.53 O1 SO4 A 243 coo 16.90 26.20 29.49 16.22 24.50 28.41 23.22 -6.70 -8.91 22.86 -8.00 -10.43 coo 12.23 24.31 30.40 14.55 23.96 31.03 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo 13.93 25.52 22.10 14.75 24.44 23.75 27.16 -9.86 -2.28 29.16 -10.33 -2.80 ULMN 3 1cms_c04 CHYMOSIN B (FORMERLY KNOWN AS RENNINuser 2 3 # 2 34 ASP A 199 ASP~? 23.37 O3 SO4 A 243 37 SER A 195 SER~? 24.26 O3 SO4 A 243 216 ASP A 201 ASP.? 28.67 O3 SO4 A 243 coo 16.90 26.20 29.49 16.22 24.50 28.41 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 coo 12.23 24.31 30.40 14.55 23.96 31.03 4.31 -1.23 -10.07 4.20 -1.50 -12.49 coo 13.93 25.52 22.10 14.75 24.44 23.75 -1.72 1.66 -11.39 -3.36 0.47 -11.68 ULMN 3 1cms_c04 CHYMOSIN B (FORMERLY KNOWN AS RENNINuser 3 3 # 3 34 ASP A 201 ASP.? 28.67 O3 SO4 A 243 37 SER A 195 SER~? 24.26 O3 SO4 A 243 216 ASP A 199 ASP~? 23.37 O3 SO4 A 243 coo 16.90 26.20 29.49 16.22 24.50 28.41 -1.72 1.66 -11.39 -3.36 0.47 -11.68 coo 12.23 24.31 30.40 14.55 23.96 31.03 4.31 -1.23 -10.07 4.20 -1.50 -12.49 coo 13.93 25.52 22.10 14.75 24.44 23.75 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 ULMN 3 1cms_c04 CHYMOSIN B (FORMERLY KNOWN AS RENNINuser 4 3 # 4 34 ASP B 107 ASP^? 18.02 O3 SO4 B 243 37 SER B 105 SER^? 14.66 O3 SO4 B 243 216 ASP B 157 ASP~? 15.61 O3 SO4 B 243 coo 16.90 26.20 29.49 16.22 24.50 28.41 -16.27 29.29 14.31 -16.58 30.52 12.63 coo 12.23 24.31 30.40 14.55 23.96 31.03 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 13.93 25.52 22.10 14.75 24.44 23.75 -12.32 32.41 21.01 -13.75 33.02 22.44 ULMN 3 1cms_c04 CHYMOSIN B (FORMERLY KNOWN AS RENNINuser 5 3 # 5 34 ASP B 199 ASP~? 23.68 O1 SO4 B 243 37 SER B 195 SER~? 24.29 O1 SO4 B 243 216 ASP B 201 ASP.? 28.94 O1 SO4 B 243 coo 16.90 26.20 29.49 16.22 24.50 28.41 -3.04 28.39 -4.12 -2.88 29.28 -6.05 coo 12.23 24.31 30.40 14.55 23.96 31.03 -8.00 23.84 -2.71 -9.97 24.14 -3.95 coo 13.93 25.52 22.10 14.75 24.44 23.75 -6.53 20.97 -8.85 -5.67 22.23 -10.32 ULMN 3 1cms_c04 CHYMOSIN B (FORMERLY KNOWN AS RENNINuser 6 3 # 6 34 ASP B 201 ASP.? 28.94 O1 SO4 B 243 37 SER B 195 SER~? 24.29 O1 SO4 B 243 216 ASP B 199 ASP~? 23.68 O1 SO4 B 243 coo 16.90 26.20 29.49 16.22 24.50 28.41 -6.53 20.97 -8.85 -5.67 22.23 -10.32 coo 12.23 24.31 30.40 14.55 23.96 31.03 -8.00 23.84 -2.71 -9.97 24.14 -3.95 coo 13.93 25.52 22.10 14.75 24.44 23.75 -3.04 28.39 -4.12 -2.88 29.28 -6.05 1cms_c04 source 1cms CHYMOSIN B (FORMERLY KNOWN AS RENNIN) (E.C.3.4: 6 hits 1cms_c04 naa= 3 ULMN 3 1cns_c00 CHITINASE user 1 3 # 1 A 67 GLU A 117 GLU~? 25.40 O3 SO4 A 243 A 89 GLU A 124 GLU.? 26.98 O1 SO4 A 243 A 120 SER A 112 SER~? 20.45 O3 SO4 A 243 coo -24.35 9.53 67.64 -25.07 11.29 68.60 27.34 13.07 -4.01 26.27 14.77 -4.79 coo -31.18 6.91 75.60 -32.39 8.51 74.91 32.52 5.36 -11.66 30.80 6.45 -12.06 coo -34.73 8.57 68.21 -33.63 9.08 70.28 25.66 6.18 -8.96 23.56 6.25 -7.69 ULMN 3 1cns_c00 CHITINASE user 2 3 # 2 A 67 GLU A 144 GLU^? 5.14 O3 SO4 A 243 A 89 GLU A 129 GLU^? 16.53 O1 SO4 A 243 A 120 SER A 105 SER^? 14.75 O1 SO4 A 243 coo -24.35 9.53 67.64 -25.07 11.29 68.60 15.10 -1.99 1.69 15.82 -3.30 3.21 coo -31.18 6.91 75.60 -32.39 8.51 74.91 20.62 -2.18 -6.03 20.44 -1.20 -7.86 coo -34.73 8.57 68.21 -33.63 9.08 70.28 17.97 -9.58 -6.03 17.57 -7.57 -7.37 ULMN 3 1cns_c00 CHITINASE user 3 3 # 3 A 67 GLU A 144 GLU^? 5.14 O3 SO4 A 243 A 89 GLU A 193 GLU~? 18.22 O3 SO4 A 243 A 120 SER A 105 SER^? 14.75 O1 SO4 A 243 coo -24.35 9.53 67.64 -25.07 11.29 68.60 15.10 -1.99 1.69 15.82 -3.30 3.21 coo -31.18 6.91 75.60 -32.39 8.51 74.91 11.64 -2.46 -10.15 13.74 -2.34 -9.81 coo -34.73 8.57 68.21 -33.63 9.08 70.28 17.97 -9.58 -6.03 17.57 -7.57 -7.37 ULMN 3 1cns_c00 CHITINASE user 4 3 # 4 A 67 GLU A 193 GLU~? 18.22 O3 SO4 A 243 A 89 GLU A 129 GLU^? 16.53 O1 SO4 A 243 A 120 SER A 105 SER^? 14.75 O1 SO4 A 243 coo -24.35 9.53 67.64 -25.07 11.29 68.60 11.64 -2.46 -10.15 13.74 -2.34 -9.81 coo -31.18 6.91 75.60 -32.39 8.51 74.91 20.62 -2.18 -6.03 20.44 -1.20 -7.86 coo -34.73 8.57 68.21 -33.63 9.08 70.28 17.97 -9.58 -6.03 17.57 -7.57 -7.37 ULMN 3 1cns_c00 CHITINASE user 5 3 # 5 A 67 GLU B 117 GLU~? 24.79 O1 SO4 B 243 A 89 GLU B 124 GLU.? 25.96 O1 SO4 B 243 A 120 SER B 112 SER~? 20.39 O1 SO4 B 243 coo -24.35 9.53 67.64 -25.07 11.29 68.60 -13.76 9.47 20.61 -15.59 10.28 21.49 coo -31.18 6.91 75.60 -32.39 8.51 74.91 -22.76 17.31 20.58 -22.55 17.91 18.56 coo -34.73 8.57 68.21 -33.63 9.08 70.28 -17.32 16.39 16.51 -15.28 16.26 15.24 ULMN 3 1cns_c00 CHITINASE user 6 3 # 6 A 67 GLU B 144 GLU^? 5.26 O1 SO4 B 243 A 89 GLU B 129 GLU^? 16.54 O1 SO4 B 243 A 120 SER B 105 SER^? 14.66 O3 SO4 B 243 coo -24.35 9.53 67.64 -25.07 11.29 68.60 -2.94 24.68 12.26 -2.09 26.04 13.69 coo -31.18 6.91 75.60 -32.39 8.51 74.91 -12.39 24.89 13.45 -13.91 23.80 12.41 coo -34.73 8.57 68.21 -33.63 9.08 70.28 -11.13 32.24 11.11 -11.87 30.19 10.06 ULMN 3 1cns_c00 CHITINASE user 7 3 # 7 A 67 GLU B 193 GLU~? 18.43 O1 SO4 B 243 A 89 GLU B 129 GLU^? 16.54 O1 SO4 B 243 A 120 SER B 105 SER^? 14.66 O3 SO4 B 243 coo -24.35 9.53 67.64 -25.07 11.29 68.60 -11.89 25.08 3.55 -12.49 24.58 5.53 coo -31.18 6.91 75.60 -32.39 8.51 74.91 -12.39 24.89 13.45 -13.91 23.80 12.41 coo -34.73 8.57 68.21 -33.63 9.08 70.28 -11.13 32.24 11.11 -11.87 30.19 10.06 1cns_c00 source 1cns CHITINASE : 7 hits 1cns_c00 naa= 3 ULMN 3 1cns_c01 CHITINASE user 1 3 # 1 B 67 GLU A 144 GLU^? 5.14 O3 SO4 A 243 B 89 GLU A 193 GLU~? 18.22 O3 SO4 A 243 B 120 SER A 105 SER^? 14.75 O1 SO4 A 243 coo 9.89 -17.65 45.79 9.28 -17.39 43.77 15.10 -1.99 1.69 15.82 -3.30 3.21 coo 19.53 -19.89 39.46 19.21 -18.09 38.37 11.64 -2.46 -10.15 13.74 -2.34 -9.81 coo 18.32 -11.51 42.26 16.65 -12.32 40.69 17.97 -9.58 -6.03 17.57 -7.57 -7.37 ULMN 3 1cns_c01 CHITINASE user 2 3 # 2 B 67 GLU A 193 GLU~? 18.22 O3 SO4 A 243 B 89 GLU A 129 GLU^? 16.53 O1 SO4 A 243 B 120 SER A 105 SER^? 14.75 O1 SO4 A 243 coo 9.89 -17.65 45.79 9.28 -17.39 43.77 11.64 -2.46 -10.15 13.74 -2.34 -9.81 coo 19.53 -19.89 39.46 19.21 -18.09 38.37 20.62 -2.18 -6.03 20.44 -1.20 -7.86 coo 18.32 -11.51 42.26 16.65 -12.32 40.69 17.97 -9.58 -6.03 17.57 -7.57 -7.37 ULMN 3 1cns_c01 CHITINASE user 3 3 # 3 B 67 GLU B 144 GLU^? 5.26 O1 SO4 B 243 B 89 GLU B 193 GLU~? 18.43 O1 SO4 B 243 B 120 SER B 105 SER^? 14.66 O3 SO4 B 243 coo 9.89 -17.65 45.79 9.28 -17.39 43.77 -2.94 24.68 12.26 -2.09 26.04 13.69 coo 19.53 -19.89 39.46 19.21 -18.09 38.37 -11.89 25.08 3.55 -12.49 24.58 5.53 coo 18.32 -11.51 42.26 16.65 -12.32 40.69 -11.13 32.24 11.11 -11.87 30.19 10.06 ULMN 3 1cns_c01 CHITINASE user 4 3 # 4 B 67 GLU B 193 GLU~? 18.43 O1 SO4 B 243 B 89 GLU B 129 GLU^? 16.54 O1 SO4 B 243 B 120 SER B 105 SER^? 14.66 O3 SO4 B 243 coo 9.89 -17.65 45.79 9.28 -17.39 43.77 -11.89 25.08 3.55 -12.49 24.58 5.53 coo 19.53 -19.89 39.46 19.21 -18.09 38.37 -12.39 24.89 13.45 -13.91 23.80 12.41 coo 18.32 -11.51 42.26 16.65 -12.32 40.69 -11.13 32.24 11.11 -11.87 30.19 10.06 1cns_c01 source 1cns CHITINASE : 4 hits 1cns_c01 naa= 3 ULMN 3 1cs1_c01 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 # 1 A 48 ARG B 132 ARG^? -2.94 O3 SO4 B 243s C 101 TYR B 148 TYR^? 8.32 O1 SO4 B 243 C 173 ASP B 157 ASP~? 15.61 O3 SO4 B 243 coo 32.27 5.62 48.15 31.93 6.48 51.06 -3.03 30.55 13.28 -1.00 29.32 15.28 coo 29.64 3.64 57.39 31.22 5.14 55.65 -7.17 25.88 21.30 -4.84 26.54 19.90 coo 28.89 -3.78 58.23 30.38 -2.57 57.33 -12.32 32.41 21.01 -13.75 33.02 22.44 1cs1_c01 source 1cs1 CYSTATHIONINE GAMMA-SYNTHASE : 1 hits 1cs1_c01 naa= 3 ULMN 3 1cs1_c02 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 # 1 B 48 ARG A 132 ARG^? -2.74 O1 SO4 A 243s D 101 TYR A 148 TYR^? 8.27 O1 SO4 A 243 D 173 ASP A 157 ASP~? 15.53 O1 SO4 A 243 coo 69.08 8.58 32.60 69.70 10.81 30.58 16.18 -7.91 2.07 16.78 -6.68 4.89 coo 71.77 11.86 24.26 70.23 12.22 26.56 25.02 -3.19 2.22 22.65 -3.79 3.58 coo 71.60 6.14 19.25 70.26 6.87 20.69 27.16 -9.86 -2.28 29.16 -10.33 -2.80 ULMN 3 1cs1_c02 CYSTATHIONINE GAMMA-SYNTHASE user 2 3 # 2 B 48 ARG B 132 ARG^? -2.94 O3 SO4 B 243s D 101 TYR B 148 TYR^? 8.32 O1 SO4 B 243 D 173 ASP B 157 ASP~? 15.61 O3 SO4 B 243 coo 69.08 8.58 32.60 69.70 10.81 30.58 -3.03 30.55 13.28 -1.00 29.32 15.28 coo 71.77 11.86 24.26 70.23 12.22 26.56 -7.17 25.88 21.30 -4.84 26.54 19.90 coo 71.60 6.14 19.25 70.26 6.87 20.69 -12.32 32.41 21.01 -13.75 33.02 22.44 1cs1_c02 source 1cs1 CYSTATHIONINE GAMMA-SYNTHASE : 2 hits 1cs1_c02 naa= 3 ULMN 3 1cs1_c03 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 # 1 B 101 TYR B 148 TYR^? 8.32 O1 SO4 B 243 B 173 ASP B 157 ASP~? 15.61 O3 SO4 B 243 D 48 ARG B 132 ARG^? -2.94 O3 SO4 B 243s coo 74.59 -12.57 45.75 72.37 -12.96 44.12 -7.17 25.88 21.30 -4.84 26.54 19.90 coo 76.00 -6.96 50.63 74.29 -7.61 49.57 -12.32 32.41 21.01 -13.75 33.02 22.44 coo 69.39 -8.90 38.17 70.70 -11.19 39.77 -3.03 30.55 13.28 -1.00 29.32 15.28 1cs1_c03 source 1cs1 CYSTATHIONINE GAMMA-SYNTHASE : 1 hits 1cs1_c03 naa= 3 ULMN 3 1ctn_c00 CHITINASE A (E.C.3.2.1.14) (PH 5.5, user 1 3 # 1 313 ASP A 107 ASP^? 18.51 O1 SO4 A 243 315 GLU A 129 GLU^? 16.53 O1 SO4 A 243 390 TYR A 148 TYR^? 8.27 O1 SO4 A 243 coo 32.46 99.13 19.34 30.94 100.38 20.07 23.22 -6.70 -8.91 22.86 -8.00 -10.43 coo 32.04 94.22 18.23 30.57 94.75 16.88 20.62 -2.18 -6.03 20.44 -1.20 -7.86 coo 21.10 94.74 18.36 23.09 96.71 18.59 25.02 -3.19 2.22 22.65 -3.79 3.58 ULMN 3 1ctn_c00 CHITINASE A (E.C.3.2.1.14) (PH 5.5, user 2 3 # 2 313 ASP A 107 ASP^? 18.51 O1 SO4 A 243 315 GLU A 129 GLU^? 16.53 O1 SO4 A 243 390 TYR A 197 TYR~? 17.30 O1 SO4 A 243 coo 32.46 99.13 19.34 30.94 100.38 20.07 23.22 -6.70 -8.91 22.86 -8.00 -10.43 coo 32.04 94.22 18.23 30.57 94.75 16.88 20.62 -2.18 -6.03 20.44 -1.20 -7.86 coo 21.10 94.74 18.36 23.09 96.71 18.59 9.27 -5.67 -7.32 11.22 -6.86 -8.96 ULMN 3 1ctn_c00 CHITINASE A (E.C.3.2.1.14) (PH 5.5, user 3 3 # 3 313 ASP B 107 ASP^? 18.02 O3 SO4 B 243 315 GLU B 129 GLU^? 16.54 O1 SO4 B 243 390 TYR B 148 TYR^? 8.32 O1 SO4 B 243 coo 32.46 99.13 19.34 30.94 100.38 20.07 -16.27 29.29 14.31 -16.58 30.52 12.63 coo 32.04 94.22 18.23 30.57 94.75 16.88 -12.39 24.89 13.45 -13.91 23.80 12.41 coo 21.10 94.74 18.36 23.09 96.71 18.59 -7.17 25.88 21.30 -4.84 26.54 19.90 ULMN 3 1ctn_c00 CHITINASE A (E.C.3.2.1.14) (PH 5.5, user 4 3 # 4 313 ASP B 107 ASP^? 18.02 O3 SO4 B 243 315 GLU B 129 GLU^? 16.54 O1 SO4 B 243 390 TYR B 197 TYR~? 17.25 O3 SO4 B 243 coo 32.46 99.13 19.34 30.94 100.38 20.07 -16.27 29.29 14.31 -16.58 30.52 12.63 coo 32.04 94.22 18.23 30.57 94.75 16.88 -12.39 24.89 13.45 -13.91 23.80 12.41 coo 21.10 94.74 18.36 23.09 96.71 18.59 -8.04 28.46 2.86 -10.26 29.82 3.98 1ctn_c00 source 1ctn CHITINASE A (E.C.3.2.1.14) (PH 5.5, 4 DEGREES : 4 hits 1ctn_c00 naa= 3 ULMN 3 1cwy_c00 AMYLOMALTASE user 1 3 # 1 A 293 ASP A 107 ASP^? 18.51 O1 SO4 A 243 A 340 GLU A 129 GLU^? 16.53 O1 SO4 A 243 A 395 ASP A 157 ASP~? 15.53 O1 SO4 A 243 coo -48.00 -26.48 6.86 -46.51 -25.94 5.49 23.22 -6.70 -8.91 22.86 -8.00 -10.43 coo -43.58 -29.03 7.13 -42.45 -27.34 7.75 20.62 -2.18 -6.03 20.44 -1.20 -7.86 coo -42.28 -26.47 -1.32 -44.06 -25.60 -0.58 27.16 -9.86 -2.28 29.16 -10.33 -2.80 ULMN 3 1cwy_c00 AMYLOMALTASE user 2 3 # 2 A 293 ASP B 107 ASP^? 18.02 O3 SO4 B 243 A 340 GLU B 129 GLU^? 16.54 O1 SO4 B 243 A 395 ASP B 157 ASP~? 15.61 O3 SO4 B 243 coo -48.00 -26.48 6.86 -46.51 -25.94 5.49 -16.27 29.29 14.31 -16.58 30.52 12.63 coo -43.58 -29.03 7.13 -42.45 -27.34 7.75 -12.39 24.89 13.45 -13.91 23.80 12.41 coo -42.28 -26.47 -1.32 -44.06 -25.60 -0.58 -12.32 32.41 21.01 -13.75 33.02 22.44 1cwy_c00 source 1cwy AMYLOMALTASE : 2 hits 1cwy_c00 naa= 3 ULMN 3 1cz0_c00 INTRON-ENCODED HOMING ENDONUCLEASE Iuser 1 3 # 1 A 61 ARG A 132 ARG^? -2.74 O1 SO4 A 243s A 98 HIS A 147 HIS^? 14.45 O3 SO4 A 243 A 105 CYH A 223 CYH^? 13.89 O3 SO4 A 243 coo 7.07 33.61 23.71 5.33 32.14 25.75 16.18 -7.91 2.07 16.78 -6.68 4.89 coo 3.48 23.70 23.03 2.52 25.46 22.40 22.73 1.14 -3.20 21.31 1.29 -4.76 coo -0.29 24.99 18.39 -1.39 22.52 19.08 21.69 3.75 2.44 22.79 4.57 -0.06 ULMN 3 1cz0_c00 INTRON-ENCODED HOMING ENDONUCLEASE Iuser 2 3 # 2 A 61 ARG B 132 ARG^? -2.94 O3 SO4 B 243s A 98 HIS B 147 HIS^? 14.18 O1 SO4 B 243 A 105 CYH B 223 CYH^? 13.65 O1 SO4 B 243 coo 7.07 33.61 23.71 5.33 32.14 25.75 -3.03 30.55 13.28 -1.00 29.32 15.28 coo 3.48 23.70 23.03 2.52 25.46 22.40 -10.85 21.55 16.70 -11.51 21.37 14.71 coo -0.29 24.99 18.39 -1.39 22.52 19.08 -5.44 18.90 18.45 -8.10 18.07 18.26 1cz0_c00 source 1cz0 INTRON-ENCODED HOMING ENDONUCLEASE I-PPOI : 2 hits 1cz0_c00 naa= 3 ULMN 3 1d6o_c00 FK506-BINDING PROTEIN user 1 3 # 1 A 37 ASP A 107 ASP^? 18.51 O1 SO4 A 243 A 56 ILE A 156 ILE~? 11.21 O1 SO4 A 243 A 82 TYR A 148 TYR^? 8.27 O1 SO4 A 243 coo 57.53 -0.59 -5.76 57.73 0.50 -3.97 23.22 -6.70 -8.91 22.86 -8.00 -10.43 coo 60.23 -10.38 -0.25 59.76 -9.69 -1.44 28.51 -7.36 2.67 27.74 -6.31 3.02 coo 54.60 -10.25 -2.46 55.96 -7.94 -1.62 25.02 -3.19 2.22 22.65 -3.79 3.58 ULMN 3 1d6o_c00 FK506-BINDING PROTEIN user 2 3 # 2 A 37 ASP A 151 ASP.? 21.86 O1 SO4 A 243 A 56 ILE A 156 ILE~? 11.21 O1 SO4 A 243 A 82 TYR A 148 TYR^? 8.27 O1 SO4 A 243 coo 57.53 -0.59 -5.76 57.73 0.50 -3.97 35.47 -0.09 -0.47 36.15 -0.37 -2.56 coo 60.23 -10.38 -0.25 59.76 -9.69 -1.44 28.51 -7.36 2.67 27.74 -6.31 3.02 coo 54.60 -10.25 -2.46 55.96 -7.94 -1.62 25.02 -3.19 2.22 22.65 -3.79 3.58 ULMN 3 1d6o_c00 FK506-BINDING PROTEIN user 3 3 # 3 A 37 ASP A 151 ASP.? 21.86 O1 SO4 A 243 A 56 ILE A 156 ILE~? 11.21 O1 SO4 A 243 A 82 TYR A 174 TYR~? 13.06 O4 SO4 A 243 coo 57.53 -0.59 -5.76 57.73 0.50 -3.97 35.47 -0.09 -0.47 36.15 -0.37 -2.56 coo 60.23 -10.38 -0.25 59.76 -9.69 -1.44 28.51 -7.36 2.67 27.74 -6.31 3.02 coo 54.60 -10.25 -2.46 55.96 -7.94 -1.62 31.39 -6.57 8.03 31.19 -7.97 5.66 ULMN 3 1d6o_c00 FK506-BINDING PROTEIN user 4 3 # 4 A 37 ASP A 151 ASP.? 21.86 O1 SO4 A 243 A 56 ILE A 221 ILE^? 11.62 O4 SO4 A 243 A 82 TYR A 148 TYR^? 8.27 O1 SO4 A 243 coo 57.53 -0.59 -5.76 57.73 0.50 -3.97 35.47 -0.09 -0.47 36.15 -0.37 -2.56 coo 60.23 -10.38 -0.25 59.76 -9.69 -1.44 27.43 1.75 7.66 27.32 1.51 9.04 coo 54.60 -10.25 -2.46 55.96 -7.94 -1.62 25.02 -3.19 2.22 22.65 -3.79 3.58 ULMN 3 1d6o_c00 FK506-BINDING PROTEIN user 5 3 # 5 A 37 ASP A 157 ASP~? 15.53 O1 SO4 A 243 A 56 ILE A 169 ILE~? 8.22 O1 SO4 A 243 A 82 TYR A 174 TYR~? 13.06 O4 SO4 A 243 coo 57.53 -0.59 -5.76 57.73 0.50 -3.97 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo 60.23 -10.38 -0.25 59.76 -9.69 -1.44 25.20 -9.64 7.84 25.70 -10.90 7.54 coo 54.60 -10.25 -2.46 55.96 -7.94 -1.62 31.39 -6.57 8.03 31.19 -7.97 5.66 ULMN 3 1d6o_c00 FK506-BINDING PROTEIN user 6 3 # 6 A 37 ASP A 162 ASP.? 11.51 O1 SO4 A 243 A 56 ILE A 133 ILE^? 13.19 O3 SO4 A 243 A 82 TYR A 135 TYR^? 15.11 O3 SO4 A 243 coo 57.53 -0.59 -5.76 57.73 0.50 -3.97 14.78 -15.75 1.96 14.18 -15.13 0.01 coo 60.23 -10.38 -0.25 59.76 -9.69 -1.44 9.05 -7.42 -1.54 8.20 -7.24 -2.79 coo 54.60 -10.25 -2.46 55.96 -7.94 -1.62 4.91 -9.76 0.70 5.77 -10.05 -1.99 ULMN 3 1d6o_c00 FK506-BINDING PROTEIN user 7 3 # 7 A 37 ASP A 168 ASP~? 7.04 O4 SO4 A 243 A 56 ILE A 156 ILE~? 11.21 O1 SO4 A 243 A 82 TYR A 174 TYR~? 13.06 O4 SO4 A 243 coo 57.53 -0.59 -5.76 57.73 0.50 -3.97 22.19 -10.44 12.27 20.99 -10.59 13.96 coo 60.23 -10.38 -0.25 59.76 -9.69 -1.44 28.51 -7.36 2.67 27.74 -6.31 3.02 coo 54.60 -10.25 -2.46 55.96 -7.94 -1.62 31.39 -6.57 8.03 31.19 -7.97 5.66 ULMN 3 1d6o_c00 FK506-BINDING PROTEIN user 8 3 # 8 A 37 ASP A 199 ASP~? 23.37 O3 SO4 A 243 A 56 ILE A 133 ILE^? 13.19 O3 SO4 A 243 A 82 TYR A 135 TYR^? 15.11 O3 SO4 A 243 coo 57.53 -0.59 -5.76 57.73 0.50 -3.97 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 coo 60.23 -10.38 -0.25 59.76 -9.69 -1.44 9.05 -7.42 -1.54 8.20 -7.24 -2.79 coo 54.60 -10.25 -2.46 55.96 -7.94 -1.62 4.91 -9.76 0.70 5.77 -10.05 -1.99 ULMN 3 1d6o_c00 FK506-BINDING PROTEIN user 9 3 # 9 A 37 ASP B 107 ASP^? 18.02 O3 SO4 B 243 A 56 ILE B 156 ILE~? 11.24 O3 SO4 B 243 A 82 TYR B 148 TYR^? 8.32 O1 SO4 B 243 coo 57.53 -0.59 -5.76 57.73 0.50 -3.97 -16.27 29.29 14.31 -16.58 30.52 12.63 coo 60.23 -10.38 -0.25 59.76 -9.69 -1.44 -8.52 30.06 24.59 -7.84 29.02 23.99 coo 54.60 -10.25 -2.46 55.96 -7.94 -1.62 -7.17 25.88 21.30 -4.84 26.54 19.90 ULMN 3 1d6o_c00 FK506-BINDING PROTEIN user 10 3 # 10 A 37 ASP B 151 ASP.? 21.97 O3 SO4 B 243 A 56 ILE B 156 ILE~? 11.24 O3 SO4 B 243 A 82 TYR B 148 TYR^? 8.32 O1 SO4 B 243 coo 57.53 -0.59 -5.76 57.73 0.50 -3.97 -14.61 22.77 29.21 -16.72 23.04 28.78 coo 60.23 -10.38 -0.25 59.76 -9.69 -1.44 -8.52 30.06 24.59 -7.84 29.02 23.99 coo 54.60 -10.25 -2.46 55.96 -7.94 -1.62 -7.17 25.88 21.30 -4.84 26.54 19.90 ULMN 3 1d6o_c00 FK506-BINDING PROTEIN user 11 3 # 11 A 37 ASP B 151 ASP.? 21.97 O3 SO4 B 243 A 56 ILE B 156 ILE~? 11.24 O3 SO4 B 243 A 82 TYR B 174 TYR~? 13.14 O2 SO4 B 243 coo 57.53 -0.59 -5.76 57.73 0.50 -3.97 -14.61 22.77 29.21 -16.72 23.04 28.78 coo 60.23 -10.38 -0.25 59.76 -9.69 -1.44 -8.52 30.06 24.59 -7.84 29.02 23.99 coo 54.60 -10.25 -2.46 55.96 -7.94 -1.62 -5.23 29.34 29.67 -7.24 30.79 28.42 ULMN 3 1d6o_c00 FK506-BINDING PROTEIN user 12 3 # 12 A 37 ASP B 151 ASP.? 21.97 O3 SO4 B 243 A 56 ILE B 221 ILE^? 11.94 O2 SO4 B 243 A 82 TYR B 148 TYR^? 8.32 O1 SO4 B 243 coo 57.53 -0.59 -5.76 57.73 0.50 -3.97 -14.61 22.77 29.21 -16.72 23.04 28.78 coo 60.23 -10.38 -0.25 59.76 -9.69 -1.44 -3.49 21.02 26.03 -2.25 21.22 26.57 coo 54.60 -10.25 -2.46 55.96 -7.94 -1.62 -7.17 25.88 21.30 -4.84 26.54 19.90 ULMN 3 1d6o_c00 FK506-BINDING PROTEIN user 13 3 # 13 A 37 ASP B 157 ASP~? 15.61 O3 SO4 B 243 A 56 ILE B 169 ILE~? 8.30 O3 SO4 B 243 A 82 TYR B 174 TYR~? 13.14 O2 SO4 B 243 coo 57.53 -0.59 -5.76 57.73 0.50 -3.97 -12.32 32.41 21.01 -13.75 33.02 22.44 coo 60.23 -10.38 -0.25 59.76 -9.69 -1.44 -2.44 32.43 24.26 -3.02 33.72 24.57 coo 54.60 -10.25 -2.46 55.96 -7.94 -1.62 -5.23 29.34 29.67 -7.24 30.79 28.42 ULMN 3 1d6o_c00 FK506-BINDING PROTEIN user 14 3 # 14 A 37 ASP B 162 ASP.? 11.47 O3 SO4 B 243 A 56 ILE B 133 ILE^? 13.10 O3 SO4 B 243 A 82 TYR B 135 TYR^? 15.04 O4 SO4 B 243 coo 57.53 -0.59 -5.76 57.73 0.50 -3.97 -2.91 38.69 12.19 -3.85 37.85 10.43 coo 60.23 -10.38 -0.25 59.76 -9.69 -1.44 -3.21 30.05 5.39 -3.02 29.84 4.59 coo 54.60 -10.25 -2.46 55.96 -7.94 -1.62 1.17 32.43 2.94 -1.52 32.86 2.35 ULMN 3 1d6o_c00 FK506-BINDING PROTEIN user 15 3 # 15 A 37 ASP B 168 ASP~? 6.50 O2 SO4 B 243 A 56 ILE B 156 ILE~? 11.24 O3 SO4 B 243 A 82 TYR B 174 TYR~? 13.14 O2 SO4 B 243 coo 57.53 -0.59 -5.76 57.73 0.50 -3.97 3.03 33.25 23.92 5.06 33.14 23.36 coo 60.23 -10.38 -0.25 59.76 -9.69 -1.44 -8.52 30.06 24.59 -7.84 29.02 23.99 coo 54.60 -10.25 -2.46 55.96 -7.94 -1.62 -5.23 29.34 29.67 -7.24 30.79 28.42 ULMN 3 1d6o_c00 FK506-BINDING PROTEIN user 16 3 # 16 A 37 ASP B 199 ASP~? 23.68 O1 SO4 B 243 A 56 ILE B 133 ILE^? 13.10 O3 SO4 B 243 A 82 TYR B 135 TYR^? 15.04 O4 SO4 B 243 coo 57.53 -0.59 -5.76 57.73 0.50 -3.97 -3.04 28.39 -4.12 -2.88 29.28 -6.05 coo 60.23 -10.38 -0.25 59.76 -9.69 -1.44 -3.21 30.05 5.39 -3.02 29.84 4.59 coo 54.60 -10.25 -2.46 55.96 -7.94 -1.62 1.17 32.43 2.94 -1.52 32.86 2.35 1d6o_c00 source 1d6o FK506-BINDING PROTEIN : 16 hits 1d6o_c00 naa= 3 ULMN 3 1d6o_c01 FK506-BINDING PROTEIN user 1 3 # 1 B 37 ASP A 107 ASP^? 18.51 O1 SO4 A 243 B 56 ILE A 156 ILE~? 11.21 O1 SO4 A 243 B 82 TYR A 148 TYR^? 8.27 O1 SO4 A 243 coo 60.36 -17.02 -33.28 60.59 -15.91 -31.49 23.22 -6.70 -8.91 22.86 -8.00 -10.43 coo 63.12 -26.85 -28.11 62.65 -26.16 -29.29 28.51 -7.36 2.67 27.74 -6.31 3.02 coo 57.53 -26.71 -30.24 58.93 -24.39 -29.50 25.02 -3.19 2.22 22.65 -3.79 3.58 ULMN 3 1d6o_c01 FK506-BINDING PROTEIN user 2 3 # 2 B 37 ASP A 151 ASP.? 21.86 O1 SO4 A 243 B 56 ILE A 156 ILE~? 11.21 O1 SO4 A 243 B 82 TYR A 148 TYR^? 8.27 O1 SO4 A 243 coo 60.36 -17.02 -33.28 60.59 -15.91 -31.49 35.47 -0.09 -0.47 36.15 -0.37 -2.56 coo 63.12 -26.85 -28.11 62.65 -26.16 -29.29 28.51 -7.36 2.67 27.74 -6.31 3.02 coo 57.53 -26.71 -30.24 58.93 -24.39 -29.50 25.02 -3.19 2.22 22.65 -3.79 3.58 ULMN 3 1d6o_c01 FK506-BINDING PROTEIN user 3 3 # 3 B 37 ASP A 151 ASP.? 21.86 O1 SO4 A 243 B 56 ILE A 156 ILE~? 11.21 O1 SO4 A 243 B 82 TYR A 174 TYR~? 13.06 O4 SO4 A 243 coo 60.36 -17.02 -33.28 60.59 -15.91 -31.49 35.47 -0.09 -0.47 36.15 -0.37 -2.56 coo 63.12 -26.85 -28.11 62.65 -26.16 -29.29 28.51 -7.36 2.67 27.74 -6.31 3.02 coo 57.53 -26.71 -30.24 58.93 -24.39 -29.50 31.39 -6.57 8.03 31.19 -7.97 5.66 ULMN 3 1d6o_c01 FK506-BINDING PROTEIN user 4 3 # 4 B 37 ASP A 151 ASP.? 21.86 O1 SO4 A 243 B 56 ILE A 221 ILE^? 11.62 O4 SO4 A 243 B 82 TYR A 148 TYR^? 8.27 O1 SO4 A 243 coo 60.36 -17.02 -33.28 60.59 -15.91 -31.49 35.47 -0.09 -0.47 36.15 -0.37 -2.56 coo 63.12 -26.85 -28.11 62.65 -26.16 -29.29 27.43 1.75 7.66 27.32 1.51 9.04 coo 57.53 -26.71 -30.24 58.93 -24.39 -29.50 25.02 -3.19 2.22 22.65 -3.79 3.58 ULMN 3 1d6o_c01 FK506-BINDING PROTEIN user 5 3 # 5 B 37 ASP A 157 ASP~? 15.53 O1 SO4 A 243 B 56 ILE A 169 ILE~? 8.22 O1 SO4 A 243 B 82 TYR A 174 TYR~? 13.06 O4 SO4 A 243 coo 60.36 -17.02 -33.28 60.59 -15.91 -31.49 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo 63.12 -26.85 -28.11 62.65 -26.16 -29.29 25.20 -9.64 7.84 25.70 -10.90 7.54 coo 57.53 -26.71 -30.24 58.93 -24.39 -29.50 31.39 -6.57 8.03 31.19 -7.97 5.66 ULMN 3 1d6o_c01 FK506-BINDING PROTEIN user 6 3 # 6 B 37 ASP A 162 ASP.? 11.51 O1 SO4 A 243 B 56 ILE A 133 ILE^? 13.19 O3 SO4 A 243 B 82 TYR A 135 TYR^? 15.11 O3 SO4 A 243 coo 60.36 -17.02 -33.28 60.59 -15.91 -31.49 14.78 -15.75 1.96 14.18 -15.13 0.01 coo 63.12 -26.85 -28.11 62.65 -26.16 -29.29 9.05 -7.42 -1.54 8.20 -7.24 -2.79 coo 57.53 -26.71 -30.24 58.93 -24.39 -29.50 4.91 -9.76 0.70 5.77 -10.05 -1.99 ULMN 3 1d6o_c01 FK506-BINDING PROTEIN user 7 3 # 7 B 37 ASP A 168 ASP~? 7.04 O4 SO4 A 243 B 56 ILE A 156 ILE~? 11.21 O1 SO4 A 243 B 82 TYR A 174 TYR~? 13.06 O4 SO4 A 243 coo 60.36 -17.02 -33.28 60.59 -15.91 -31.49 22.19 -10.44 12.27 20.99 -10.59 13.96 coo 63.12 -26.85 -28.11 62.65 -26.16 -29.29 28.51 -7.36 2.67 27.74 -6.31 3.02 coo 57.53 -26.71 -30.24 58.93 -24.39 -29.50 31.39 -6.57 8.03 31.19 -7.97 5.66 ULMN 3 1d6o_c01 FK506-BINDING PROTEIN user 8 3 # 8 B 37 ASP A 199 ASP~? 23.37 O3 SO4 A 243 B 56 ILE A 133 ILE^? 13.19 O3 SO4 A 243 B 82 TYR A 135 TYR^? 15.11 O3 SO4 A 243 coo 60.36 -17.02 -33.28 60.59 -15.91 -31.49 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 coo 63.12 -26.85 -28.11 62.65 -26.16 -29.29 9.05 -7.42 -1.54 8.20 -7.24 -2.79 coo 57.53 -26.71 -30.24 58.93 -24.39 -29.50 4.91 -9.76 0.70 5.77 -10.05 -1.99 ULMN 3 1d6o_c01 FK506-BINDING PROTEIN user 9 3 # 9 B 37 ASP A 199 ASP~? 23.37 O3 SO4 A 243 B 56 ILE A 133 ILE^? 13.19 O3 SO4 A 243 B 82 TYR A 197 TYR~? 17.30 O1 SO4 A 243 coo 60.36 -17.02 -33.28 60.59 -15.91 -31.49 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 coo 63.12 -26.85 -28.11 62.65 -26.16 -29.29 9.05 -7.42 -1.54 8.20 -7.24 -2.79 coo 57.53 -26.71 -30.24 58.93 -24.39 -29.50 9.27 -5.67 -7.32 11.22 -6.86 -8.96 ULMN 3 1d6o_c01 FK506-BINDING PROTEIN user 10 3 # 10 B 37 ASP B 107 ASP^? 18.02 O3 SO4 B 243 B 56 ILE B 156 ILE~? 11.24 O3 SO4 B 243 B 82 TYR B 148 TYR^? 8.32 O1 SO4 B 243 coo 60.36 -17.02 -33.28 60.59 -15.91 -31.49 -16.27 29.29 14.31 -16.58 30.52 12.63 coo 63.12 -26.85 -28.11 62.65 -26.16 -29.29 -8.52 30.06 24.59 -7.84 29.02 23.99 coo 57.53 -26.71 -30.24 58.93 -24.39 -29.50 -7.17 25.88 21.30 -4.84 26.54 19.90 ULMN 3 1d6o_c01 FK506-BINDING PROTEIN user 11 3 # 11 B 37 ASP B 151 ASP.? 21.97 O3 SO4 B 243 B 56 ILE B 156 ILE~? 11.24 O3 SO4 B 243 B 82 TYR B 148 TYR^? 8.32 O1 SO4 B 243 coo 60.36 -17.02 -33.28 60.59 -15.91 -31.49 -14.61 22.77 29.21 -16.72 23.04 28.78 coo 63.12 -26.85 -28.11 62.65 -26.16 -29.29 -8.52 30.06 24.59 -7.84 29.02 23.99 coo 57.53 -26.71 -30.24 58.93 -24.39 -29.50 -7.17 25.88 21.30 -4.84 26.54 19.90 ULMN 3 1d6o_c01 FK506-BINDING PROTEIN user 12 3 # 12 B 37 ASP B 151 ASP.? 21.97 O3 SO4 B 243 B 56 ILE B 156 ILE~? 11.24 O3 SO4 B 243 B 82 TYR B 174 TYR~? 13.14 O2 SO4 B 243 coo 60.36 -17.02 -33.28 60.59 -15.91 -31.49 -14.61 22.77 29.21 -16.72 23.04 28.78 coo 63.12 -26.85 -28.11 62.65 -26.16 -29.29 -8.52 30.06 24.59 -7.84 29.02 23.99 coo 57.53 -26.71 -30.24 58.93 -24.39 -29.50 -5.23 29.34 29.67 -7.24 30.79 28.42 ULMN 3 1d6o_c01 FK506-BINDING PROTEIN user 13 3 # 13 B 37 ASP B 151 ASP.? 21.97 O3 SO4 B 243 B 56 ILE B 221 ILE^? 11.94 O2 SO4 B 243 B 82 TYR B 148 TYR^? 8.32 O1 SO4 B 243 coo 60.36 -17.02 -33.28 60.59 -15.91 -31.49 -14.61 22.77 29.21 -16.72 23.04 28.78 coo 63.12 -26.85 -28.11 62.65 -26.16 -29.29 -3.49 21.02 26.03 -2.25 21.22 26.57 coo 57.53 -26.71 -30.24 58.93 -24.39 -29.50 -7.17 25.88 21.30 -4.84 26.54 19.90 ULMN 3 1d6o_c01 FK506-BINDING PROTEIN user 14 3 # 14 B 37 ASP B 157 ASP~? 15.61 O3 SO4 B 243 B 56 ILE B 169 ILE~? 8.30 O3 SO4 B 243 B 82 TYR B 174 TYR~? 13.14 O2 SO4 B 243 coo 60.36 -17.02 -33.28 60.59 -15.91 -31.49 -12.32 32.41 21.01 -13.75 33.02 22.44 coo 63.12 -26.85 -28.11 62.65 -26.16 -29.29 -2.44 32.43 24.26 -3.02 33.72 24.57 coo 57.53 -26.71 -30.24 58.93 -24.39 -29.50 -5.23 29.34 29.67 -7.24 30.79 28.42 ULMN 3 1d6o_c01 FK506-BINDING PROTEIN user 15 3 # 15 B 37 ASP B 162 ASP.? 11.47 O3 SO4 B 243 B 56 ILE B 133 ILE^? 13.10 O3 SO4 B 243 B 82 TYR B 135 TYR^? 15.04 O4 SO4 B 243 coo 60.36 -17.02 -33.28 60.59 -15.91 -31.49 -2.91 38.69 12.19 -3.85 37.85 10.43 coo 63.12 -26.85 -28.11 62.65 -26.16 -29.29 -3.21 30.05 5.39 -3.02 29.84 4.59 coo 57.53 -26.71 -30.24 58.93 -24.39 -29.50 1.17 32.43 2.94 -1.52 32.86 2.35 ULMN 3 1d6o_c01 FK506-BINDING PROTEIN user 16 3 # 16 B 37 ASP B 168 ASP~? 6.50 O2 SO4 B 243 B 56 ILE B 156 ILE~? 11.24 O3 SO4 B 243 B 82 TYR B 174 TYR~? 13.14 O2 SO4 B 243 coo 60.36 -17.02 -33.28 60.59 -15.91 -31.49 3.03 33.25 23.92 5.06 33.14 23.36 coo 63.12 -26.85 -28.11 62.65 -26.16 -29.29 -8.52 30.06 24.59 -7.84 29.02 23.99 coo 57.53 -26.71 -30.24 58.93 -24.39 -29.50 -5.23 29.34 29.67 -7.24 30.79 28.42 ULMN 3 1d6o_c01 FK506-BINDING PROTEIN user 17 3 # 17 B 37 ASP B 199 ASP~? 23.68 O1 SO4 B 243 B 56 ILE B 133 ILE^? 13.10 O3 SO4 B 243 B 82 TYR B 135 TYR^? 15.04 O4 SO4 B 243 coo 60.36 -17.02 -33.28 60.59 -15.91 -31.49 -3.04 28.39 -4.12 -2.88 29.28 -6.05 coo 63.12 -26.85 -28.11 62.65 -26.16 -29.29 -3.21 30.05 5.39 -3.02 29.84 4.59 coo 57.53 -26.71 -30.24 58.93 -24.39 -29.50 1.17 32.43 2.94 -1.52 32.86 2.35 ULMN 3 1d6o_c01 FK506-BINDING PROTEIN user 18 3 # 18 B 37 ASP B 199 ASP~? 23.68 O1 SO4 B 243 B 56 ILE B 133 ILE^? 13.10 O3 SO4 B 243 B 82 TYR B 197 TYR~? 17.25 O3 SO4 B 243 coo 60.36 -17.02 -33.28 60.59 -15.91 -31.49 -3.04 28.39 -4.12 -2.88 29.28 -6.05 coo 63.12 -26.85 -28.11 62.65 -26.16 -29.29 -3.21 30.05 5.39 -3.02 29.84 4.59 coo 57.53 -26.71 -30.24 58.93 -24.39 -29.50 -8.04 28.46 2.86 -10.26 29.82 3.98 1d6o_c01 source 1d6o FK506-BINDING PROTEIN : 18 hits 1d6o_c01 naa= 3 ULMN 3 1d7r_c02 2,2-DIALKYLGLYCINE DECARBOXYLASE (PYuser 1 3 # 1 A 173 TYR A 88 TYR^? 15.52 O3 SO4 A 243 A 243 ASP A 168 ASP~? 7.04 O4 SO4 A 243 A 272 LYS A 175 LYS~? 15.75 O4 SO4 A 243 coo 2.03 68.31 21.46 0.66 68.36 23.90 5.49 2.26 14.81 3.47 0.31 15.09 coo 16.93 55.67 9.65 17.16 54.23 11.19 22.19 -10.44 12.27 20.99 -10.59 13.96 coo 14.13 45.79 13.40 14.25 49.41 18.30 31.71 -5.61 14.13 32.23 -10.41 15.70 ULMN 3 1d7r_c02 2,2-DIALKYLGLYCINE DECARBOXYLASE (PYuser 2 3 # 2 A 173 TYR A 88 TYR^? 15.52 O3 SO4 A 243 A 243 ASP A 204 ASP.? 25.99 O3 SO4 A 243 A 272 LYS A 196 LYS~? 24.16 O1 SO4 A 243 coo 2.03 68.31 21.46 0.66 68.36 23.90 5.49 2.26 14.81 3.47 0.31 15.09 coo 16.93 55.67 9.65 17.16 54.23 11.19 0.25 4.29 -7.71 -1.48 3.39 -8.50 coo 14.13 45.79 13.40 14.25 49.41 18.30 5.42 -4.88 -10.39 6.31 -8.43 -13.80 ULMN 3 1d7r_c02 2,2-DIALKYLGLYCINE DECARBOXYLASE (PYuser 3 3 # 3 A 173 TYR A 135 TYR^? 15.11 O3 SO4 A 243 A 243 ASP A 210 ASP^? 16.17 O3 SO4 A 243 A 272 LYS A 118 LYS~? 14.73 O3 SO4 A 243 coo 2.03 68.31 21.46 0.66 68.36 23.90 4.91 -9.76 0.70 5.77 -10.05 -1.99 coo 16.93 55.67 9.65 17.16 54.23 11.19 15.65 9.10 1.05 17.66 9.20 0.39 coo 14.13 45.79 13.40 14.25 49.41 18.30 25.35 9.54 0.37 20.43 7.24 0.70 ULMN 3 1d7r_c02 2,2-DIALKYLGLYCINE DECARBOXYLASE (PYuser 4 3 # 4 A 173 TYR B 88 TYR^? 16.84 O4 SO4 B 243 A 243 ASP B 168 ASP~? 6.50 O2 SO4 B 243 A 272 LYS B 175 LYS~? 16.29 O2 SO4 B 243 coo 2.03 68.31 21.46 0.66 68.36 23.90 13.32 18.89 11.69 16.09 18.37 11.55 coo 16.93 55.67 9.65 17.16 54.23 11.19 3.03 33.25 23.92 5.06 33.14 23.36 coo 14.13 45.79 13.40 14.25 49.41 18.30 -0.06 28.25 32.86 0.77 33.04 34.82 ULMN 3 1d7r_c02 2,2-DIALKYLGLYCINE DECARBOXYLASE (PYuser 5 3 # 5 A 173 TYR B 88 TYR^? 16.84 O4 SO4 B 243 A 243 ASP B 204 ASP.? 26.31 O1 SO4 B 243 A 272 LYS B 196 LYS~? 22.85 O3 SO4 B 243 coo 2.03 68.31 21.46 0.66 68.36 23.90 13.32 18.89 11.69 16.09 18.37 11.55 coo 16.93 55.67 9.65 17.16 54.23 11.19 -4.03 18.39 -5.24 -3.87 19.29 -7.14 coo 14.13 45.79 13.40 14.25 49.41 18.30 -8.91 27.48 -2.00 -11.17 32.01 -1.90 ULMN 3 1d7r_c02 2,2-DIALKYLGLYCINE DECARBOXYLASE (PYuser 6 3 # 6 A 173 TYR B 135 TYR^? 15.04 O4 SO4 B 243 A 243 ASP B 210 ASP^? 16.02 O1 SO4 B 243 A 272 LYS B 118 LYS~? 15.88 O1 SO4 B 243 coo 2.03 68.31 21.46 0.66 68.36 23.90 1.17 32.43 2.94 -1.52 32.86 2.35 coo 16.93 55.67 9.65 17.16 54.23 11.19 -3.61 13.59 12.62 -5.22 13.58 13.96 coo 14.13 45.79 13.40 14.25 49.41 18.30 -8.85 13.11 20.72 -7.39 14.71 15.31 1d7r_c02 source 1d7r 2,2-DIALKYLGLYCINE DECARBOXYLASE (PYRUVATE) : 6 hits 1d7r_c02 naa= 3 ULMN 3 1daa_c00 D-AMINO ACID AMINOTRANSFERASE user 1 3 # 1 A 145 LYS A 183 LYS^? 12.80 O3 SO4 A 243 A 177 GLU A 208 GLU^? 18.11 O3 SO4 A 243 A 201 LEU A 184 LEU^? 18.86 O3 SO4 A 243 coo 46.63 -7.12 50.78 48.41 -11.39 47.79 15.64 9.91 6.99 14.95 7.19 11.14 coo 47.18 -4.46 40.10 47.54 -4.70 42.20 11.78 7.44 -1.74 12.80 8.58 -3.28 coo 49.45 -5.57 45.73 49.73 -6.78 47.47 14.49 12.64 3.17 16.38 13.66 3.31 ULMN 3 1daa_c00 D-AMINO ACID AMINOTRANSFERASE user 2 3 # 2 A 145 LYS A 183 LYS^? 12.80 O3 SO4 A 243 A 177 GLU A 208 GLU^? 18.11 O3 SO4 A 243 A 201 LEU A 185 LEU^? 18.19 O3 SO4 A 243 coo 46.63 -7.12 50.78 48.41 -11.39 47.79 15.64 9.91 6.99 14.95 7.19 11.14 coo 47.18 -4.46 40.10 47.54 -4.70 42.20 11.78 7.44 -1.74 12.80 8.58 -3.28 coo 49.45 -5.57 45.73 49.73 -6.78 47.47 9.20 11.18 4.60 7.39 10.15 4.55 ULMN 3 1daa_c00 D-AMINO ACID AMINOTRANSFERASE user 3 3 # 3 A 145 LYS A 211 LYS^? 6.62 O3 SO4 A 243 A 177 GLU A 144 GLU^? 5.14 O3 SO4 A 243 A 201 LEU A 225 LEU^? 14.26 O3 SO4 A 243 coo 46.63 -7.12 50.78 48.41 -11.39 47.79 17.59 6.59 4.81 17.28 1.50 8.69 coo 47.18 -4.46 40.10 47.54 -4.70 42.20 15.10 -1.99 1.69 15.82 -3.30 3.21 coo 49.45 -5.57 45.73 49.73 -6.78 47.47 15.30 4.05 -1.60 15.67 5.96 -2.55 ULMN 3 1daa_c00 D-AMINO ACID AMINOTRANSFERASE user 4 3 # 4 A 145 LYS B 183 LYS^? 10.90 O1 SO4 B 243 A 177 GLU B 208 GLU^? 18.08 O1 SO4 B 243 A 201 LEU B 184 LEU^? 18.97 O1 SO4 B 243 coo 46.63 -7.12 50.78 48.41 -11.39 47.79 1.60 12.78 15.42 4.74 17.90 14.06 coo 47.18 -4.46 40.10 47.54 -4.70 42.20 -4.22 15.23 7.76 -6.03 14.17 7.93 coo 49.45 -5.57 45.73 49.73 -6.78 47.47 -1.23 10.13 12.55 -1.38 8.70 14.23 ULMN 3 1daa_c00 D-AMINO ACID AMINOTRANSFERASE user 5 3 # 5 A 145 LYS B 183 LYS^? 10.90 O1 SO4 B 243 A 177 GLU B 208 GLU^? 18.08 O1 SO4 B 243 A 201 LEU B 185 LEU^? 18.48 O1 SO4 B 243 coo 46.63 -7.12 50.78 48.41 -11.39 47.79 1.60 12.78 15.42 4.74 17.90 14.06 coo 47.18 -4.46 40.10 47.54 -4.70 42.20 -4.22 15.23 7.76 -6.03 14.17 7.93 coo 49.45 -5.57 45.73 49.73 -6.78 47.47 2.57 11.44 8.54 3.27 12.57 6.88 ULMN 3 1daa_c00 D-AMINO ACID AMINOTRANSFERASE user 6 3 # 6 A 145 LYS B 211 LYS^? 7.04 O1 SO4 B 243 A 177 GLU B 144 GLU^? 5.26 O1 SO4 B 243 A 201 LEU B 225 LEU^? 14.24 O1 SO4 B 243 coo 46.63 -7.12 50.78 48.41 -11.39 47.79 -1.16 16.10 16.00 2.65 20.89 17.79 coo 47.18 -4.46 40.10 47.54 -4.70 42.20 -2.94 24.68 12.26 -2.09 26.04 13.69 coo 49.45 -5.57 45.73 49.73 -6.78 47.47 -5.80 18.54 10.91 -6.95 16.76 10.96 1daa_c00 source 1daa D-AMINO ACID AMINOTRANSFERASE : 6 hits 1daa_c00 naa= 3 ULMN 3 1daa_c01 D-AMINO ACID AMINOTRANSFERASE user 1 3 # 1 B 145 LYS A 183 LYS^? 12.80 O3 SO4 A 243 B 177 GLU A 208 GLU^? 18.11 O3 SO4 A 243 B 201 LEU A 184 LEU^? 18.86 O3 SO4 A 243 coo 25.29 -4.12 49.41 22.68 -2.48 54.25 15.64 9.91 6.99 14.95 7.19 11.14 coo 27.00 6.35 51.01 26.30 4.53 50.18 11.78 7.44 -1.74 12.80 8.58 -3.28 coo 23.74 1.68 49.50 22.87 -0.24 49.97 14.49 12.64 3.17 16.38 13.66 3.31 ULMN 3 1daa_c01 D-AMINO ACID AMINOTRANSFERASE user 2 3 # 2 B 145 LYS A 183 LYS^? 12.80 O3 SO4 A 243 B 177 GLU A 208 GLU^? 18.11 O3 SO4 A 243 B 201 LEU A 185 LEU^? 18.19 O3 SO4 A 243 coo 25.29 -4.12 49.41 22.68 -2.48 54.25 15.64 9.91 6.99 14.95 7.19 11.14 coo 27.00 6.35 51.01 26.30 4.53 50.18 11.78 7.44 -1.74 12.80 8.58 -3.28 coo 23.74 1.68 49.50 22.87 -0.24 49.97 9.20 11.18 4.60 7.39 10.15 4.55 ULMN 3 1daa_c01 D-AMINO ACID AMINOTRANSFERASE user 3 3 # 3 B 145 LYS A 211 LYS^? 6.62 O3 SO4 A 243 B 177 GLU A 144 GLU^? 5.14 O3 SO4 A 243 B 201 LEU A 225 LEU^? 14.26 O3 SO4 A 243 coo 25.29 -4.12 49.41 22.68 -2.48 54.25 17.59 6.59 4.81 17.28 1.50 8.69 coo 27.00 6.35 51.01 26.30 4.53 50.18 15.10 -1.99 1.69 15.82 -3.30 3.21 coo 23.74 1.68 49.50 22.87 -0.24 49.97 15.30 4.05 -1.60 15.67 5.96 -2.55 ULMN 3 1daa_c01 D-AMINO ACID AMINOTRANSFERASE user 4 3 # 4 B 145 LYS A 211 LYS^? 6.62 O3 SO4 A 243 B 177 GLU A 208 GLU^? 18.11 O3 SO4 A 243 B 201 LEU A 184 LEU^? 18.86 O3 SO4 A 243 coo 25.29 -4.12 49.41 22.68 -2.48 54.25 17.59 6.59 4.81 17.28 1.50 8.69 coo 27.00 6.35 51.01 26.30 4.53 50.18 11.78 7.44 -1.74 12.80 8.58 -3.28 coo 23.74 1.68 49.50 22.87 -0.24 49.97 14.49 12.64 3.17 16.38 13.66 3.31 ULMN 3 1daa_c01 D-AMINO ACID AMINOTRANSFERASE user 5 3 # 5 B 145 LYS A 211 LYS^? 6.62 O3 SO4 A 243 B 177 GLU A 208 GLU^? 18.11 O3 SO4 A 243 B 201 LEU A 225 LEU^? 14.26 O3 SO4 A 243 coo 25.29 -4.12 49.41 22.68 -2.48 54.25 17.59 6.59 4.81 17.28 1.50 8.69 coo 27.00 6.35 51.01 26.30 4.53 50.18 11.78 7.44 -1.74 12.80 8.58 -3.28 coo 23.74 1.68 49.50 22.87 -0.24 49.97 15.30 4.05 -1.60 15.67 5.96 -2.55 ULMN 3 1daa_c01 D-AMINO ACID AMINOTRANSFERASE user 6 3 # 6 B 145 LYS B 183 LYS^? 10.90 O1 SO4 B 243 B 177 GLU B 208 GLU^? 18.08 O1 SO4 B 243 B 201 LEU B 184 LEU^? 18.97 O1 SO4 B 243 coo 25.29 -4.12 49.41 22.68 -2.48 54.25 1.60 12.78 15.42 4.74 17.90 14.06 coo 27.00 6.35 51.01 26.30 4.53 50.18 -4.22 15.23 7.76 -6.03 14.17 7.93 coo 23.74 1.68 49.50 22.87 -0.24 49.97 -1.23 10.13 12.55 -1.38 8.70 14.23 ULMN 3 1daa_c01 D-AMINO ACID AMINOTRANSFERASE user 7 3 # 7 B 145 LYS B 183 LYS^? 10.90 O1 SO4 B 243 B 177 GLU B 208 GLU^? 18.08 O1 SO4 B 243 B 201 LEU B 185 LEU^? 18.48 O1 SO4 B 243 coo 25.29 -4.12 49.41 22.68 -2.48 54.25 1.60 12.78 15.42 4.74 17.90 14.06 coo 27.00 6.35 51.01 26.30 4.53 50.18 -4.22 15.23 7.76 -6.03 14.17 7.93 coo 23.74 1.68 49.50 22.87 -0.24 49.97 2.57 11.44 8.54 3.27 12.57 6.88 ULMN 3 1daa_c01 D-AMINO ACID AMINOTRANSFERASE user 8 3 # 8 B 145 LYS B 211 LYS^? 7.04 O1 SO4 B 243 B 177 GLU B 144 GLU^? 5.26 O1 SO4 B 243 B 201 LEU B 225 LEU^? 14.24 O1 SO4 B 243 coo 25.29 -4.12 49.41 22.68 -2.48 54.25 -1.16 16.10 16.00 2.65 20.89 17.79 coo 27.00 6.35 51.01 26.30 4.53 50.18 -2.94 24.68 12.26 -2.09 26.04 13.69 coo 23.74 1.68 49.50 22.87 -0.24 49.97 -5.80 18.54 10.91 -6.95 16.76 10.96 ULMN 3 1daa_c01 D-AMINO ACID AMINOTRANSFERASE user 9 3 # 9 B 145 LYS B 211 LYS^? 7.04 O1 SO4 B 243 B 177 GLU B 208 GLU^? 18.08 O1 SO4 B 243 B 201 LEU B 184 LEU^? 18.97 O1 SO4 B 243 coo 25.29 -4.12 49.41 22.68 -2.48 54.25 -1.16 16.10 16.00 2.65 20.89 17.79 coo 27.00 6.35 51.01 26.30 4.53 50.18 -4.22 15.23 7.76 -6.03 14.17 7.93 coo 23.74 1.68 49.50 22.87 -0.24 49.97 -1.23 10.13 12.55 -1.38 8.70 14.23 ULMN 3 1daa_c01 D-AMINO ACID AMINOTRANSFERASE user 10 3 # 10 B 145 LYS B 211 LYS^? 7.04 O1 SO4 B 243 B 177 GLU B 208 GLU^? 18.08 O1 SO4 B 243 B 201 LEU B 225 LEU^? 14.24 O1 SO4 B 243 coo 25.29 -4.12 49.41 22.68 -2.48 54.25 -1.16 16.10 16.00 2.65 20.89 17.79 coo 27.00 6.35 51.01 26.30 4.53 50.18 -4.22 15.23 7.76 -6.03 14.17 7.93 coo 23.74 1.68 49.50 22.87 -0.24 49.97 -5.80 18.54 10.91 -6.95 16.76 10.96 1daa_c01 source 1daa D-AMINO ACID AMINOTRANSFERASE : 10 hits 1daa_c01 naa= 3 ULMN 3 1ddj_c12 PLASMINOGEN user 1 3 # 1 A 603 HIS A 106 HIS^? 13.08 O1 SO4 A 243 A 646 ASP A 157 ASP~? 15.53 O1 SO4 A 243 A 739 GLY A 163 GLY.? 7.75 O1 SO4 A 243 coo 17.92 60.45 -3.51 16.63 61.88 -2.68 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo 18.60 56.26 -8.31 18.53 57.26 -6.47 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo 11.37 50.89 2.29 11.05 51.63 2.25 15.39 -14.35 6.30 16.02 -13.97 5.93 ULMN 3 1ddj_c12 PLASMINOGEN user 2 3 # 2 A 603 HIS B 106 HIS^? 13.01 O3 SO4 B 243 A 646 ASP B 157 ASP~? 15.61 O3 SO4 B 243 A 739 GLY B 163 GLY.? 7.63 O3 SO4 B 243 coo 17.92 60.45 -3.51 16.63 61.88 -2.68 -11.40 33.04 16.07 -11.74 35.05 16.56 coo 18.60 56.26 -8.31 18.53 57.26 -6.47 -12.32 32.41 21.01 -13.75 33.02 22.44 coo 11.37 50.89 2.29 11.05 51.63 2.25 0.69 37.21 14.78 0.08 36.90 15.18 1ddj_c12 source 1ddj PLASMINOGEN : 2 hits 1ddj_c12 naa= 3 ULMN 3 1ddj_c13 PLASMINOGEN user 1 3 # 1 B 603 HIS A 106 HIS^? 13.08 O1 SO4 A 243 B 646 ASP A 157 ASP~? 15.53 O1 SO4 A 243 B 739 GLY A 163 GLY.? 7.75 O1 SO4 A 243 coo -28.76 37.11 -20.75 -29.48 38.32 -19.19 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo -23.42 34.83 -23.78 -25.09 36.03 -23.31 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo -24.60 49.24 -23.60 -24.80 48.99 -22.86 15.39 -14.35 6.30 16.02 -13.97 5.93 ULMN 3 1ddj_c13 PLASMINOGEN user 2 3 # 2 B 603 HIS B 106 HIS^? 13.01 O3 SO4 B 243 B 646 ASP B 157 ASP~? 15.61 O3 SO4 B 243 B 739 GLY B 163 GLY.? 7.63 O3 SO4 B 243 coo -28.76 37.11 -20.75 -29.48 38.32 -19.19 -11.40 33.04 16.07 -11.74 35.05 16.56 coo -23.42 34.83 -23.78 -25.09 36.03 -23.31 -12.32 32.41 21.01 -13.75 33.02 22.44 coo -24.60 49.24 -23.60 -24.80 48.99 -22.86 0.69 37.21 14.78 0.08 36.90 15.18 1ddj_c13 source 1ddj PLASMINOGEN : 2 hits 1ddj_c13 naa= 3 ULMN 3 1ddj_c14 PLASMINOGEN user 1 3 # 1 C 603 HIS A 106 HIS^? 13.08 O1 SO4 A 243 C 646 ASP A 157 ASP~? 15.53 O1 SO4 A 243 C 739 GLY A 163 GLY.? 7.75 O1 SO4 A 243 coo 15.33 59.81 59.60 13.98 60.99 60.69 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo 16.06 55.72 54.73 15.97 56.49 56.70 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo 9.38 49.29 65.28 9.01 50.03 65.31 15.39 -14.35 6.30 16.02 -13.97 5.93 ULMN 3 1ddj_c14 PLASMINOGEN user 2 3 # 2 C 603 HIS B 106 HIS^? 13.01 O3 SO4 B 243 C 646 ASP B 157 ASP~? 15.61 O3 SO4 B 243 C 739 GLY B 163 GLY.? 7.63 O3 SO4 B 243 coo 15.33 59.81 59.60 13.98 60.99 60.69 -11.40 33.04 16.07 -11.74 35.05 16.56 coo 16.06 55.72 54.73 15.97 56.49 56.70 -12.32 32.41 21.01 -13.75 33.02 22.44 coo 9.38 49.29 65.28 9.01 50.03 65.31 0.69 37.21 14.78 0.08 36.90 15.18 1ddj_c14 source 1ddj PLASMINOGEN : 2 hits 1ddj_c14 naa= 3 ULMN 3 1ddj_c15 PLASMINOGEN user 1 3 # 1 D 603 HIS A 106 HIS^? 13.08 O1 SO4 A 243 D 646 ASP A 157 ASP~? 15.53 O1 SO4 A 243 D 739 GLY A 163 GLY.? 7.75 O1 SO4 A 243 coo -30.51 33.83 43.05 -30.50 33.12 45.03 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo -25.73 33.05 39.28 -27.50 34.05 39.88 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo -27.66 47.32 40.66 -27.81 47.01 41.41 15.39 -14.35 6.30 16.02 -13.97 5.93 ULMN 3 1ddj_c15 PLASMINOGEN user 2 3 # 2 D 603 HIS B 106 HIS^? 13.01 O3 SO4 B 243 D 646 ASP B 157 ASP~? 15.61 O3 SO4 B 243 D 739 GLY B 163 GLY.? 7.63 O3 SO4 B 243 coo -30.51 33.83 43.05 -30.50 33.12 45.03 -11.40 33.04 16.07 -11.74 35.05 16.56 coo -25.73 33.05 39.28 -27.50 34.05 39.88 -12.32 32.41 21.01 -13.75 33.02 22.44 coo -27.66 47.32 40.66 -27.81 47.01 41.41 0.69 37.21 14.78 0.08 36.90 15.18 1ddj_c15 source 1ddj PLASMINOGEN : 2 hits 1ddj_c15 naa= 3 ULMN 3 1de3_c00 RIBONUCLEASE ALPHA-SARCIN user 1 3 # 1 A 50 HIS A 147 HIS^? 14.45 O3 SO4 A 243 A 96 GLU A 129 GLU^? 16.53 O1 SO4 A 243 A 137 HIS A 106 HIS^? 13.08 O1 SO4 A 243 coo 1.83 2.95 4.76 1.26 0.98 4.81 22.73 1.14 -3.20 21.31 1.29 -4.76 coo 2.09 -1.43 1.72 1.90 -3.41 2.37 20.62 -2.18 -6.03 20.44 -1.20 -7.86 coo -3.67 -7.38 4.26 -2.89 -5.51 4.56 22.50 -10.50 -3.88 23.13 -12.51 -3.91 ULMN 3 1de3_c00 RIBONUCLEASE ALPHA-SARCIN user 2 3 # 2 A 50 HIS B 147 HIS^? 14.18 O1 SO4 B 243 A 96 GLU B 129 GLU^? 16.54 O1 SO4 B 243 A 137 HIS B 106 HIS^? 13.01 O3 SO4 B 243 coo 1.83 2.95 4.76 1.26 0.98 4.81 -10.85 21.55 16.70 -11.51 21.37 14.71 coo 2.09 -1.43 1.72 1.90 -3.41 2.37 -12.39 24.89 13.45 -13.91 23.80 12.41 coo -3.67 -7.38 4.26 -2.89 -5.51 4.56 -11.40 33.04 16.07 -11.74 35.05 16.56 1de3_c00 source 1de3 RIBONUCLEASE ALPHA-SARCIN : 2 hits 1de3_c00 naa= 3 ULMN 3 1dfo_c04 SERINE HYDROXYMETHYLTRANSFERASE user 1 3 # 1 A 57 GLU A 124 GLU.? 26.98 O1 SO4 A 243 A 226 THR A 212 THR^? 14.79 O3 SO4 A 243 A 229 LYS A 183 LYS^? 12.80 O3 SO4 A 243 coo 9.66 102.78 70.07 9.79 101.18 71.42 32.52 5.36 -11.66 30.80 6.45 -12.06 coo 7.24 97.46 49.60 8.11 95.69 48.80 21.33 6.89 5.45 22.71 8.01 4.37 coo 10.53 97.56 43.71 9.33 93.71 47.17 15.64 9.91 6.99 14.95 7.19 11.14 ULMN 3 1dfo_c04 SERINE HYDROXYMETHYLTRANSFERASE user 2 3 # 2 A 57 GLU A 194 GLU~? 19.96 O3 SO4 A 243 A 226 THR A 236 THR^? 19.05 O3 SO4 A 243 A 229 LYS B 183 LYS^? 10.90 O1 SO4 B 243 coo 9.66 102.78 70.07 9.79 101.18 71.42 8.83 1.58 -7.66 9.92 2.44 -9.22 coo 7.24 97.46 49.60 8.11 95.69 48.80 3.37 7.66 13.53 2.69 5.89 14.58 coo 10.53 97.56 43.71 9.33 93.71 47.17 1.60 12.78 15.42 4.74 17.90 14.06 ULMN 3 1dfo_c04 SERINE HYDROXYMETHYLTRANSFERASE user 3 3 # 3 A 57 GLU B 85 GLU.? 16.99 O4 SO4 B 243 A 226 THR B 212 THR^? 14.56 O1 SO4 B 243 A 229 LYS B 118 LYS~? 15.88 O1 SO4 B 243 coo 9.66 102.78 70.07 9.79 101.18 71.42 9.76 23.94 2.05 8.62 25.57 1.44 coo 7.24 97.46 49.60 8.11 95.69 48.80 -2.46 15.86 19.61 -4.11 14.69 20.29 coo 10.53 97.56 43.71 9.33 93.71 47.17 -8.85 13.11 20.72 -7.39 14.71 15.31 ULMN 3 1dfo_c04 SERINE HYDROXYMETHYLTRANSFERASE user 4 3 # 4 A 57 GLU B 124 GLU.? 25.96 O1 SO4 B 243 A 226 THR B 212 THR^? 14.56 O1 SO4 B 243 A 229 LYS B 183 LYS^? 10.90 O1 SO4 B 243 coo 9.66 102.78 70.07 9.79 101.18 71.42 -22.76 17.31 20.58 -22.55 17.91 18.56 coo 7.24 97.46 49.60 8.11 95.69 48.80 -2.46 15.86 19.61 -4.11 14.69 20.29 coo 10.53 97.56 43.71 9.33 93.71 47.17 1.60 12.78 15.42 4.74 17.90 14.06 ULMN 3 1dfo_c04 SERINE HYDROXYMETHYLTRANSFERASE user 5 3 # 5 A 57 GLU B 194 GLU~? 20.15 O1 SO4 B 243 A 226 THR B 236 THR^? 20.20 O4 SO4 B 243 A 229 LYS A 183 LYS^? 12.80 O3 SO4 A 243 coo 9.66 102.78 70.07 9.79 101.18 71.42 -8.16 20.98 2.40 -10.14 20.22 2.52 coo 7.24 97.46 49.60 8.11 95.69 48.80 13.24 15.24 7.66 15.09 16.37 7.51 coo 10.53 97.56 43.71 9.33 93.71 47.17 15.64 9.91 6.99 14.95 7.19 11.14 1dfo_c04 source 1dfo SERINE HYDROXYMETHYLTRANSFERASE : 5 hits 1dfo_c04 naa= 3 ULMN 3 1dfo_c05 SERINE HYDROXYMETHYLTRANSFERASE user 1 3 # 1 B 57 GLU A 124 GLU.? 26.98 O1 SO4 A 243 B 226 THR A 212 THR^? 14.79 O3 SO4 A 243 B 229 LYS A 183 LYS^? 12.80 O3 SO4 A 243 coo 15.90 87.61 49.61 13.92 86.96 49.36 32.52 5.36 -11.66 30.80 6.45 -12.06 coo 20.74 95.78 68.68 19.29 96.84 69.83 21.33 6.89 5.45 22.71 8.01 4.37 coo 22.32 101.61 71.64 17.89 98.63 71.55 15.64 9.91 6.99 14.95 7.19 11.14 ULMN 3 1dfo_c05 SERINE HYDROXYMETHYLTRANSFERASE user 2 3 # 2 B 57 GLU A 194 GLU~? 19.96 O3 SO4 A 243 B 226 THR A 236 THR^? 19.05 O3 SO4 A 243 B 229 LYS B 183 LYS^? 10.90 O1 SO4 B 243 coo 15.90 87.61 49.61 13.92 86.96 49.36 8.83 1.58 -7.66 9.92 2.44 -9.22 coo 20.74 95.78 68.68 19.29 96.84 69.83 3.37 7.66 13.53 2.69 5.89 14.58 coo 22.32 101.61 71.64 17.89 98.63 71.55 1.60 12.78 15.42 4.74 17.90 14.06 ULMN 3 1dfo_c05 SERINE HYDROXYMETHYLTRANSFERASE user 3 3 # 3 B 57 GLU B 85 GLU.? 16.99 O4 SO4 B 243 B 226 THR B 212 THR^? 14.56 O1 SO4 B 243 B 229 LYS B 118 LYS~? 15.88 O1 SO4 B 243 coo 15.90 87.61 49.61 13.92 86.96 49.36 9.76 23.94 2.05 8.62 25.57 1.44 coo 20.74 95.78 68.68 19.29 96.84 69.83 -2.46 15.86 19.61 -4.11 14.69 20.29 coo 22.32 101.61 71.64 17.89 98.63 71.55 -8.85 13.11 20.72 -7.39 14.71 15.31 ULMN 3 1dfo_c05 SERINE HYDROXYMETHYLTRANSFERASE user 4 3 # 4 B 57 GLU B 124 GLU.? 25.96 O1 SO4 B 243 B 226 THR B 212 THR^? 14.56 O1 SO4 B 243 B 229 LYS B 183 LYS^? 10.90 O1 SO4 B 243 coo 15.90 87.61 49.61 13.92 86.96 49.36 -22.76 17.31 20.58 -22.55 17.91 18.56 coo 20.74 95.78 68.68 19.29 96.84 69.83 -2.46 15.86 19.61 -4.11 14.69 20.29 coo 22.32 101.61 71.64 17.89 98.63 71.55 1.60 12.78 15.42 4.74 17.90 14.06 ULMN 3 1dfo_c05 SERINE HYDROXYMETHYLTRANSFERASE user 5 3 # 5 B 57 GLU B 194 GLU~? 20.15 O1 SO4 B 243 B 226 THR B 236 THR^? 20.20 O4 SO4 B 243 B 229 LYS A 183 LYS^? 12.80 O3 SO4 A 243 coo 15.90 87.61 49.61 13.92 86.96 49.36 -8.16 20.98 2.40 -10.14 20.22 2.52 coo 20.74 95.78 68.68 19.29 96.84 69.83 13.24 15.24 7.66 15.09 16.37 7.51 coo 22.32 101.61 71.64 17.89 98.63 71.55 15.64 9.91 6.99 14.95 7.19 11.14 1dfo_c05 source 1dfo SERINE HYDROXYMETHYLTRANSFERASE : 5 hits 1dfo_c05 naa= 3 ULMN 3 1dfo_c06 SERINE HYDROXYMETHYLTRANSFERASE user 1 3 # 1 C 57 GLU A 124 GLU.? 26.98 O1 SO4 A 243 C 226 THR A 212 THR^? 14.79 O3 SO4 A 243 C 229 LYS A 183 LYS^? 12.80 O3 SO4 A 243 coo 5.43 40.40 61.63 4.27 41.99 60.90 32.52 5.36 -11.66 30.80 6.45 -12.06 coo 22.16 45.88 73.63 23.23 47.70 73.25 21.33 6.89 5.45 22.71 8.01 4.37 coo 28.90 45.91 73.55 25.22 49.72 72.97 15.64 9.91 6.99 14.95 7.19 11.14 ULMN 3 1dfo_c06 SERINE HYDROXYMETHYLTRANSFERASE user 2 3 # 2 C 57 GLU A 194 GLU~? 19.96 O3 SO4 A 243 C 226 THR A 236 THR^? 19.05 O3 SO4 A 243 C 229 LYS B 183 LYS^? 10.90 O1 SO4 B 243 coo 5.43 40.40 61.63 4.27 41.99 60.90 8.83 1.58 -7.66 9.92 2.44 -9.22 coo 22.16 45.88 73.63 23.23 47.70 73.25 3.37 7.66 13.53 2.69 5.89 14.58 coo 28.90 45.91 73.55 25.22 49.72 72.97 1.60 12.78 15.42 4.74 17.90 14.06 ULMN 3 1dfo_c06 SERINE HYDROXYMETHYLTRANSFERASE user 3 3 # 3 C 57 GLU B 85 GLU.? 16.99 O4 SO4 B 243 C 226 THR B 212 THR^? 14.56 O1 SO4 B 243 C 229 LYS B 118 LYS~? 15.88 O1 SO4 B 243 coo 5.43 40.40 61.63 4.27 41.99 60.90 9.76 23.94 2.05 8.62 25.57 1.44 coo 22.16 45.88 73.63 23.23 47.70 73.25 -2.46 15.86 19.61 -4.11 14.69 20.29 coo 28.90 45.91 73.55 25.22 49.72 72.97 -8.85 13.11 20.72 -7.39 14.71 15.31 ULMN 3 1dfo_c06 SERINE HYDROXYMETHYLTRANSFERASE user 4 3 # 4 C 57 GLU B 124 GLU.? 25.96 O1 SO4 B 243 C 226 THR B 212 THR^? 14.56 O1 SO4 B 243 C 229 LYS B 183 LYS^? 10.90 O1 SO4 B 243 coo 5.43 40.40 61.63 4.27 41.99 60.90 -22.76 17.31 20.58 -22.55 17.91 18.56 coo 22.16 45.88 73.63 23.23 47.70 73.25 -2.46 15.86 19.61 -4.11 14.69 20.29 coo 28.90 45.91 73.55 25.22 49.72 72.97 1.60 12.78 15.42 4.74 17.90 14.06 ULMN 3 1dfo_c06 SERINE HYDROXYMETHYLTRANSFERASE user 5 3 # 5 C 57 GLU B 194 GLU~? 20.15 O1 SO4 B 243 C 226 THR B 236 THR^? 20.20 O4 SO4 B 243 C 229 LYS A 183 LYS^? 12.80 O3 SO4 A 243 coo 5.43 40.40 61.63 4.27 41.99 60.90 -8.16 20.98 2.40 -10.14 20.22 2.52 coo 22.16 45.88 73.63 23.23 47.70 73.25 13.24 15.24 7.66 15.09 16.37 7.51 coo 28.90 45.91 73.55 25.22 49.72 72.97 15.64 9.91 6.99 14.95 7.19 11.14 1dfo_c06 source 1dfo SERINE HYDROXYMETHYLTRANSFERASE : 5 hits 1dfo_c06 naa= 3 ULMN 3 1dfo_c07 SERINE HYDROXYMETHYLTRANSFERASE user 1 3 # 1 D 57 GLU A 124 GLU.? 26.98 O1 SO4 A 243 D 226 THR A 212 THR^? 14.79 O3 SO4 A 243 D 229 LYS A 183 LYS^? 12.80 O3 SO4 A 243 coo 26.07 55.89 66.14 25.33 56.50 68.01 32.52 5.36 -11.66 30.80 6.45 -12.06 coo 11.79 47.62 52.67 10.10 46.51 53.39 21.33 6.89 5.45 22.71 8.01 4.37 coo 10.05 41.79 49.80 7.94 44.71 53.76 15.64 9.91 6.99 14.95 7.19 11.14 ULMN 3 1dfo_c07 SERINE HYDROXYMETHYLTRANSFERASE user 2 3 # 2 D 57 GLU A 194 GLU~? 19.96 O3 SO4 A 243 D 226 THR A 236 THR^? 19.05 O3 SO4 A 243 D 229 LYS B 183 LYS^? 10.90 O1 SO4 B 243 coo 26.07 55.89 66.14 25.33 56.50 68.01 8.83 1.58 -7.66 9.92 2.44 -9.22 coo 11.79 47.62 52.67 10.10 46.51 53.39 3.37 7.66 13.53 2.69 5.89 14.58 coo 10.05 41.79 49.80 7.94 44.71 53.76 1.60 12.78 15.42 4.74 17.90 14.06 ULMN 3 1dfo_c07 SERINE HYDROXYMETHYLTRANSFERASE user 3 3 # 3 D 57 GLU B 85 GLU.? 16.99 O4 SO4 B 243 D 226 THR B 212 THR^? 14.56 O1 SO4 B 243 D 229 LYS B 118 LYS~? 15.88 O1 SO4 B 243 coo 26.07 55.89 66.14 25.33 56.50 68.01 9.76 23.94 2.05 8.62 25.57 1.44 coo 11.79 47.62 52.67 10.10 46.51 53.39 -2.46 15.86 19.61 -4.11 14.69 20.29 coo 10.05 41.79 49.80 7.94 44.71 53.76 -8.85 13.11 20.72 -7.39 14.71 15.31 ULMN 3 1dfo_c07 SERINE HYDROXYMETHYLTRANSFERASE user 4 3 # 4 D 57 GLU B 124 GLU.? 25.96 O1 SO4 B 243 D 226 THR B 212 THR^? 14.56 O1 SO4 B 243 D 229 LYS B 183 LYS^? 10.90 O1 SO4 B 243 coo 26.07 55.89 66.14 25.33 56.50 68.01 -22.76 17.31 20.58 -22.55 17.91 18.56 coo 11.79 47.62 52.67 10.10 46.51 53.39 -2.46 15.86 19.61 -4.11 14.69 20.29 coo 10.05 41.79 49.80 7.94 44.71 53.76 1.60 12.78 15.42 4.74 17.90 14.06 ULMN 3 1dfo_c07 SERINE HYDROXYMETHYLTRANSFERASE user 5 3 # 5 D 57 GLU B 194 GLU~? 20.15 O1 SO4 B 243 D 226 THR B 236 THR^? 20.20 O4 SO4 B 243 D 229 LYS A 183 LYS^? 12.80 O3 SO4 A 243 coo 26.07 55.89 66.14 25.33 56.50 68.01 -8.16 20.98 2.40 -10.14 20.22 2.52 coo 11.79 47.62 52.67 10.10 46.51 53.39 13.24 15.24 7.66 15.09 16.37 7.51 coo 10.05 41.79 49.80 7.94 44.71 53.76 15.64 9.91 6.99 14.95 7.19 11.14 1dfo_c07 source 1dfo SERINE HYDROXYMETHYLTRANSFERASE : 5 hits 1dfo_c07 naa= 3 ULMN 3 1dfo_c12 SERINE HYDROXYMETHYLTRANSFERASE user 1 3 # 1 A 123 HIS A 106 HIS^? 13.08 O1 SO4 A 243 A 200 ASP A 151 ASP.? 21.86 O1 SO4 A 243 A 229 LYS A 118 LYS~? 14.73 O3 SO4 A 243 coo 1.13 77.49 40.64 0.62 75.57 39.98 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo 0.84 91.24 49.01 2.91 91.61 49.23 35.47 -0.09 -0.47 36.15 -0.37 -2.56 coo 10.53 97.56 43.71 9.33 93.71 47.17 25.35 9.54 0.37 20.43 7.24 0.70 ULMN 3 1dfo_c12 SERINE HYDROXYMETHYLTRANSFERASE user 2 3 # 2 A 123 HIS A 106 HIS^? 13.08 O1 SO4 A 243 A 200 ASP A 168 ASP~? 7.04 O4 SO4 A 243 A 229 LYS A 175 LYS~? 15.75 O4 SO4 A 243 coo 1.13 77.49 40.64 0.62 75.57 39.98 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo 0.84 91.24 49.01 2.91 91.61 49.23 22.19 -10.44 12.27 20.99 -10.59 13.96 coo 10.53 97.56 43.71 9.33 93.71 47.17 31.71 -5.61 14.13 32.23 -10.41 15.70 ULMN 3 1dfo_c12 SERINE HYDROXYMETHYLTRANSFERASE user 3 3 # 3 A 123 HIS A 180 HIS^? 16.73 O4 SO4 A 243 A 200 ASP A 210 ASP^? 16.17 O3 SO4 A 243 A 229 LYS A 113 LYS~? 30.41 O3 SO4 A 243 coo 1.13 77.49 40.64 0.62 75.57 39.98 23.63 8.86 13.89 25.45 9.53 13.13 coo 0.84 91.24 49.01 2.91 91.61 49.23 15.65 9.10 1.05 17.66 9.20 0.39 coo 10.53 97.56 43.71 9.33 93.71 47.17 26.35 9.86 -8.18 28.43 13.70 -12.96 ULMN 3 1dfo_c12 SERINE HYDROXYMETHYLTRANSFERASE user 4 3 # 4 A 123 HIS B 106 HIS^? 13.01 O3 SO4 B 243 A 200 ASP B 151 ASP.? 21.97 O3 SO4 B 243 A 229 LYS B 118 LYS~? 15.88 O1 SO4 B 243 coo 1.13 77.49 40.64 0.62 75.57 39.98 -11.40 33.04 16.07 -11.74 35.05 16.56 coo 0.84 91.24 49.01 2.91 91.61 49.23 -14.61 22.77 29.21 -16.72 23.04 28.78 coo 10.53 97.56 43.71 9.33 93.71 47.17 -8.85 13.11 20.72 -7.39 14.71 15.31 ULMN 3 1dfo_c12 SERINE HYDROXYMETHYLTRANSFERASE user 5 3 # 5 A 123 HIS B 167 HIS~? -3.98 O2 SO4 B 243s A 200 ASP B 210 ASP^? 16.02 O1 SO4 B 243 A 229 LYS B 113 LYS~? 30.21 O1 SO4 B 243 coo 1.13 77.49 40.64 0.62 75.57 39.98 2.71 26.62 21.63 2.19 24.83 20.66 coo 0.84 91.24 49.01 2.91 91.61 49.23 -3.61 13.59 12.62 -5.22 13.58 13.96 coo 10.53 97.56 43.71 9.33 93.71 47.17 -16.92 12.76 17.51 -22.08 8.80 17.21 ULMN 3 1dfo_c12 SERINE HYDROXYMETHYLTRANSFERASE user 6 3 # 6 A 123 HIS B 180 HIS^? 17.04 O1 SO4 B 243 A 200 ASP B 210 ASP^? 16.02 O1 SO4 B 243 A 229 LYS B 113 LYS~? 30.21 O1 SO4 B 243 coo 1.13 77.49 40.64 0.62 75.57 39.98 3.74 13.87 25.77 2.21 13.26 27.09 coo 0.84 91.24 49.01 2.91 91.61 49.23 -3.61 13.59 12.62 -5.22 13.58 13.96 coo 10.53 97.56 43.71 9.33 93.71 47.17 -16.92 12.76 17.51 -22.08 8.80 17.21 1dfo_c12 source 1dfo SERINE HYDROXYMETHYLTRANSFERASE : 6 hits 1dfo_c12 naa= 3 ULMN 3 1dfo_c13 SERINE HYDROXYMETHYLTRANSFERASE user 1 3 # 1 B 123 HIS A 106 HIS^? 13.08 O1 SO4 A 243 B 200 ASP A 151 ASP.? 21.86 O1 SO4 A 243 B 229 LYS A 118 LYS~? 14.73 O3 SO4 A 243 coo 9.24 94.26 88.22 8.02 94.07 89.92 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo 17.54 90.31 75.01 17.17 92.01 73.80 35.47 -0.09 -0.47 36.15 -0.37 -2.56 coo 22.32 101.61 71.64 17.89 98.63 71.55 25.35 9.54 0.37 20.43 7.24 0.70 ULMN 3 1dfo_c13 SERINE HYDROXYMETHYLTRANSFERASE user 2 3 # 2 B 123 HIS A 106 HIS^? 13.08 O1 SO4 A 243 B 200 ASP A 168 ASP~? 7.04 O4 SO4 A 243 B 229 LYS A 175 LYS~? 15.75 O4 SO4 A 243 coo 9.24 94.26 88.22 8.02 94.07 89.92 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo 17.54 90.31 75.01 17.17 92.01 73.80 22.19 -10.44 12.27 20.99 -10.59 13.96 coo 22.32 101.61 71.64 17.89 98.63 71.55 31.71 -5.61 14.13 32.23 -10.41 15.70 ULMN 3 1dfo_c13 SERINE HYDROXYMETHYLTRANSFERASE user 3 3 # 3 B 123 HIS A 180 HIS^? 16.73 O4 SO4 A 243 B 200 ASP A 210 ASP^? 16.17 O3 SO4 A 243 B 229 LYS A 113 LYS~? 30.41 O3 SO4 A 243 coo 9.24 94.26 88.22 8.02 94.07 89.92 23.63 8.86 13.89 25.45 9.53 13.13 coo 17.54 90.31 75.01 17.17 92.01 73.80 15.65 9.10 1.05 17.66 9.20 0.39 coo 22.32 101.61 71.64 17.89 98.63 71.55 26.35 9.86 -8.18 28.43 13.70 -12.96 ULMN 3 1dfo_c13 SERINE HYDROXYMETHYLTRANSFERASE user 4 3 # 4 B 123 HIS B 106 HIS^? 13.01 O3 SO4 B 243 B 200 ASP B 151 ASP.? 21.97 O3 SO4 B 243 B 229 LYS B 118 LYS~? 15.88 O1 SO4 B 243 coo 9.24 94.26 88.22 8.02 94.07 89.92 -11.40 33.04 16.07 -11.74 35.05 16.56 coo 17.54 90.31 75.01 17.17 92.01 73.80 -14.61 22.77 29.21 -16.72 23.04 28.78 coo 22.32 101.61 71.64 17.89 98.63 71.55 -8.85 13.11 20.72 -7.39 14.71 15.31 ULMN 3 1dfo_c13 SERINE HYDROXYMETHYLTRANSFERASE user 5 3 # 5 B 123 HIS B 167 HIS~? -3.98 O2 SO4 B 243s B 200 ASP B 210 ASP^? 16.02 O1 SO4 B 243 B 229 LYS B 113 LYS~? 30.21 O1 SO4 B 243 coo 9.24 94.26 88.22 8.02 94.07 89.92 2.71 26.62 21.63 2.19 24.83 20.66 coo 17.54 90.31 75.01 17.17 92.01 73.80 -3.61 13.59 12.62 -5.22 13.58 13.96 coo 22.32 101.61 71.64 17.89 98.63 71.55 -16.92 12.76 17.51 -22.08 8.80 17.21 ULMN 3 1dfo_c13 SERINE HYDROXYMETHYLTRANSFERASE user 6 3 # 6 B 123 HIS B 180 HIS^? 17.04 O1 SO4 B 243 B 200 ASP B 210 ASP^? 16.02 O1 SO4 B 243 B 229 LYS B 113 LYS~? 30.21 O1 SO4 B 243 coo 9.24 94.26 88.22 8.02 94.07 89.92 3.74 13.87 25.77 2.21 13.26 27.09 coo 17.54 90.31 75.01 17.17 92.01 73.80 -3.61 13.59 12.62 -5.22 13.58 13.96 coo 22.32 101.61 71.64 17.89 98.63 71.55 -16.92 12.76 17.51 -22.08 8.80 17.21 1dfo_c13 source 1dfo SERINE HYDROXYMETHYLTRANSFERASE : 6 hits 1dfo_c13 naa= 3 ULMN 3 1dfo_c14 SERINE HYDROXYMETHYLTRANSFERASE user 1 3 # 1 C 123 HIS A 106 HIS^? 13.08 O1 SO4 A 243 C 200 ASP A 151 ASP.? 21.86 O1 SO4 A 243 C 229 LYS A 118 LYS~? 14.73 O3 SO4 A 243 coo 26.77 65.84 83.49 27.06 67.76 84.27 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo 19.52 52.01 79.59 20.28 51.65 77.65 35.47 -0.09 -0.47 36.15 -0.37 -2.56 coo 28.90 45.91 73.55 25.22 49.72 72.97 25.35 9.54 0.37 20.43 7.24 0.70 ULMN 3 1dfo_c14 SERINE HYDROXYMETHYLTRANSFERASE user 2 3 # 2 C 123 HIS A 106 HIS^? 13.08 O1 SO4 A 243 C 200 ASP A 168 ASP~? 7.04 O4 SO4 A 243 C 229 LYS A 175 LYS~? 15.75 O4 SO4 A 243 coo 26.77 65.84 83.49 27.06 67.76 84.27 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo 19.52 52.01 79.59 20.28 51.65 77.65 22.19 -10.44 12.27 20.99 -10.59 13.96 coo 28.90 45.91 73.55 25.22 49.72 72.97 31.71 -5.61 14.13 32.23 -10.41 15.70 ULMN 3 1dfo_c14 SERINE HYDROXYMETHYLTRANSFERASE user 3 3 # 3 C 123 HIS A 180 HIS^? 16.73 O4 SO4 A 243 C 200 ASP A 210 ASP^? 16.17 O3 SO4 A 243 C 229 LYS A 113 LYS~? 30.41 O3 SO4 A 243 coo 26.77 65.84 83.49 27.06 67.76 84.27 23.63 8.86 13.89 25.45 9.53 13.13 coo 19.52 52.01 79.59 20.28 51.65 77.65 15.65 9.10 1.05 17.66 9.20 0.39 coo 28.90 45.91 73.55 25.22 49.72 72.97 26.35 9.86 -8.18 28.43 13.70 -12.96 ULMN 3 1dfo_c14 SERINE HYDROXYMETHYLTRANSFERASE user 4 3 # 4 C 123 HIS B 106 HIS^? 13.01 O3 SO4 B 243 C 200 ASP B 151 ASP.? 21.97 O3 SO4 B 243 C 229 LYS B 118 LYS~? 15.88 O1 SO4 B 243 coo 26.77 65.84 83.49 27.06 67.76 84.27 -11.40 33.04 16.07 -11.74 35.05 16.56 coo 19.52 52.01 79.59 20.28 51.65 77.65 -14.61 22.77 29.21 -16.72 23.04 28.78 coo 28.90 45.91 73.55 25.22 49.72 72.97 -8.85 13.11 20.72 -7.39 14.71 15.31 ULMN 3 1dfo_c14 SERINE HYDROXYMETHYLTRANSFERASE user 5 3 # 5 C 123 HIS B 167 HIS~? -3.98 O2 SO4 B 243s C 200 ASP B 210 ASP^? 16.02 O1 SO4 B 243 C 229 LYS B 113 LYS~? 30.21 O1 SO4 B 243 coo 26.77 65.84 83.49 27.06 67.76 84.27 2.71 26.62 21.63 2.19 24.83 20.66 coo 19.52 52.01 79.59 20.28 51.65 77.65 -3.61 13.59 12.62 -5.22 13.58 13.96 coo 28.90 45.91 73.55 25.22 49.72 72.97 -16.92 12.76 17.51 -22.08 8.80 17.21 ULMN 3 1dfo_c14 SERINE HYDROXYMETHYLTRANSFERASE user 6 3 # 6 C 123 HIS B 180 HIS^? 17.04 O1 SO4 B 243 C 200 ASP B 210 ASP^? 16.02 O1 SO4 B 243 C 229 LYS B 113 LYS~? 30.21 O1 SO4 B 243 coo 26.77 65.84 83.49 27.06 67.76 84.27 3.74 13.87 25.77 2.21 13.26 27.09 coo 19.52 52.01 79.59 20.28 51.65 77.65 -3.61 13.59 12.62 -5.22 13.58 13.96 coo 28.90 45.91 73.55 25.22 49.72 72.97 -16.92 12.76 17.51 -22.08 8.80 17.21 1dfo_c14 source 1dfo SERINE HYDROXYMETHYLTRANSFERASE : 6 hits 1dfo_c14 naa= 3 ULMN 3 1dfo_c15 SERINE HYDROXYMETHYLTRANSFERASE user 1 3 # 1 D 123 HIS A 106 HIS^? 13.08 O1 SO4 A 243 D 200 ASP A 151 ASP.? 21.86 O1 SO4 A 243 D 229 LYS A 118 LYS~? 14.73 O3 SO4 A 243 coo -10.90 48.74 53.41 -12.98 48.90 53.67 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo 4.60 52.95 52.50 5.57 51.29 53.40 35.47 -0.09 -0.47 36.15 -0.37 -2.56 coo 10.05 41.79 49.80 7.94 44.71 53.76 25.35 9.54 0.37 20.43 7.24 0.70 ULMN 3 1dfo_c15 SERINE HYDROXYMETHYLTRANSFERASE user 2 3 # 2 D 123 HIS A 106 HIS^? 13.08 O1 SO4 A 243 D 200 ASP A 168 ASP~? 7.04 O4 SO4 A 243 D 229 LYS A 175 LYS~? 15.75 O4 SO4 A 243 coo -10.90 48.74 53.41 -12.98 48.90 53.67 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo 4.60 52.95 52.50 5.57 51.29 53.40 22.19 -10.44 12.27 20.99 -10.59 13.96 coo 10.05 41.79 49.80 7.94 44.71 53.76 31.71 -5.61 14.13 32.23 -10.41 15.70 ULMN 3 1dfo_c15 SERINE HYDROXYMETHYLTRANSFERASE user 3 3 # 3 D 123 HIS A 180 HIS^? 16.73 O4 SO4 A 243 D 200 ASP A 210 ASP^? 16.17 O3 SO4 A 243 D 229 LYS A 113 LYS~? 30.41 O3 SO4 A 243 coo -10.90 48.74 53.41 -12.98 48.90 53.67 23.63 8.86 13.89 25.45 9.53 13.13 coo 4.60 52.95 52.50 5.57 51.29 53.40 15.65 9.10 1.05 17.66 9.20 0.39 coo 10.05 41.79 49.80 7.94 44.71 53.76 26.35 9.86 -8.18 28.43 13.70 -12.96 ULMN 3 1dfo_c15 SERINE HYDROXYMETHYLTRANSFERASE user 4 3 # 4 D 123 HIS B 106 HIS^? 13.01 O3 SO4 B 243 D 200 ASP B 151 ASP.? 21.97 O3 SO4 B 243 D 229 LYS B 118 LYS~? 15.88 O1 SO4 B 243 coo -10.90 48.74 53.41 -12.98 48.90 53.67 -11.40 33.04 16.07 -11.74 35.05 16.56 coo 4.60 52.95 52.50 5.57 51.29 53.40 -14.61 22.77 29.21 -16.72 23.04 28.78 coo 10.05 41.79 49.80 7.94 44.71 53.76 -8.85 13.11 20.72 -7.39 14.71 15.31 ULMN 3 1dfo_c15 SERINE HYDROXYMETHYLTRANSFERASE user 5 3 # 5 D 123 HIS B 167 HIS~? -3.98 O2 SO4 B 243s D 200 ASP B 210 ASP^? 16.02 O1 SO4 B 243 D 229 LYS B 113 LYS~? 30.21 O1 SO4 B 243 coo -10.90 48.74 53.41 -12.98 48.90 53.67 2.71 26.62 21.63 2.19 24.83 20.66 coo 4.60 52.95 52.50 5.57 51.29 53.40 -3.61 13.59 12.62 -5.22 13.58 13.96 coo 10.05 41.79 49.80 7.94 44.71 53.76 -16.92 12.76 17.51 -22.08 8.80 17.21 ULMN 3 1dfo_c15 SERINE HYDROXYMETHYLTRANSFERASE user 6 3 # 6 D 123 HIS B 180 HIS^? 17.04 O1 SO4 B 243 D 200 ASP B 210 ASP^? 16.02 O1 SO4 B 243 D 229 LYS B 113 LYS~? 30.21 O1 SO4 B 243 coo -10.90 48.74 53.41 -12.98 48.90 53.67 3.74 13.87 25.77 2.21 13.26 27.09 coo 4.60 52.95 52.50 5.57 51.29 53.40 -3.61 13.59 12.62 -5.22 13.58 13.96 coo 10.05 41.79 49.80 7.94 44.71 53.76 -16.92 12.76 17.51 -22.08 8.80 17.21 1dfo_c15 source 1dfo SERINE HYDROXYMETHYLTRANSFERASE : 6 hits 1dfo_c15 naa= 3 ULMN 3 1dhp_c02 DIHYDRODIPICOLINATE SYNTHASE user 1 3 # 1 A 44 THR A 179 THR.? 15.18 O4 SO4 A 243 A 45 THR A 215 THR^? 14.39 O4 SO4 A 243 A 161 LYS A 183 LYS^? 12.80 O3 SO4 A 243 coo 26.16 88.25 79.16 25.22 89.47 80.71 24.49 4.59 16.02 26.60 5.17 15.98 coo 27.73 89.90 76.08 29.24 91.46 75.95 28.17 4.34 12.79 29.62 2.69 12.72 coo 33.83 91.15 88.62 31.07 91.06 83.02 15.64 9.91 6.99 14.95 7.19 11.14 ULMN 3 1dhp_c02 DIHYDRODIPICOLINATE SYNTHASE user 2 3 # 2 A 44 THR A 179 THR.? 15.18 O4 SO4 A 243 A 45 THR A 215 THR^? 14.39 O4 SO4 A 243 A 161 LYS A 211 LYS^? 6.62 O3 SO4 A 243 coo 26.16 88.25 79.16 25.22 89.47 80.71 24.49 4.59 16.02 26.60 5.17 15.98 coo 27.73 89.90 76.08 29.24 91.46 75.95 28.17 4.34 12.79 29.62 2.69 12.72 coo 33.83 91.15 88.62 31.07 91.06 83.02 17.59 6.59 4.81 17.28 1.50 8.69 ULMN 3 1dhp_c02 DIHYDRODIPICOLINATE SYNTHASE user 3 3 # 3 A 44 THR A 215 THR^? 14.39 O4 SO4 A 243 A 45 THR A 179 THR.? 15.18 O4 SO4 A 243 A 161 LYS A 171 LYS~? 11.57 O4 SO4 A 243 coo 26.16 88.25 79.16 25.22 89.47 80.71 28.17 4.34 12.79 29.62 2.69 12.72 coo 27.73 89.90 76.08 29.24 91.46 75.95 24.49 4.59 16.02 26.60 5.17 15.98 coo 33.83 91.15 88.62 31.07 91.06 83.02 27.37 -6.86 13.66 24.72 -6.49 19.13 ULMN 3 1dhp_c02 DIHYDRODIPICOLINATE SYNTHASE user 4 3 # 4 A 44 THR A 215 THR^? 14.39 O4 SO4 A 243 A 45 THR A 179 THR.? 15.18 O4 SO4 A 243 A 161 LYS A 175 LYS~? 15.75 O4 SO4 A 243 coo 26.16 88.25 79.16 25.22 89.47 80.71 28.17 4.34 12.79 29.62 2.69 12.72 coo 27.73 89.90 76.08 29.24 91.46 75.95 24.49 4.59 16.02 26.60 5.17 15.98 coo 33.83 91.15 88.62 31.07 91.06 83.02 31.71 -5.61 14.13 32.23 -10.41 15.70 ULMN 3 1dhp_c02 DIHYDRODIPICOLINATE SYNTHASE user 5 3 # 5 A 44 THR A 215 THR^? 14.39 O4 SO4 A 243 A 45 THR A 179 THR.? 15.18 O4 SO4 A 243 A 161 LYS A 211 LYS^? 6.62 O3 SO4 A 243 coo 26.16 88.25 79.16 25.22 89.47 80.71 28.17 4.34 12.79 29.62 2.69 12.72 coo 27.73 89.90 76.08 29.24 91.46 75.95 24.49 4.59 16.02 26.60 5.17 15.98 coo 33.83 91.15 88.62 31.07 91.06 83.02 17.59 6.59 4.81 17.28 1.50 8.69 ULMN 3 1dhp_c02 DIHYDRODIPICOLINATE SYNTHASE user 6 3 # 6 A 44 THR B 179 THR.? 15.44 O2 SO4 B 243 A 45 THR B 215 THR^? 14.70 O2 SO4 B 243 A 161 LYS B 183 LYS^? 10.90 O1 SO4 B 243 coo 26.16 88.25 79.16 25.22 89.47 80.71 5.22 18.26 27.37 4.37 17.66 29.21 coo 27.73 89.90 76.08 29.24 91.46 75.95 0.58 18.40 29.12 -0.17 20.01 30.35 coo 33.83 91.15 88.62 31.07 91.06 83.02 1.60 12.78 15.42 4.74 17.90 14.06 ULMN 3 1dhp_c02 DIHYDRODIPICOLINATE SYNTHASE user 7 3 # 7 A 44 THR B 179 THR.? 15.44 O2 SO4 B 243 A 45 THR B 215 THR^? 14.70 O2 SO4 B 243 A 161 LYS B 211 LYS^? 7.04 O1 SO4 B 243 coo 26.16 88.25 79.16 25.22 89.47 80.71 5.22 18.26 27.37 4.37 17.66 29.21 coo 27.73 89.90 76.08 29.24 91.46 75.95 0.58 18.40 29.12 -0.17 20.01 30.35 coo 33.83 91.15 88.62 31.07 91.06 83.02 -1.16 16.10 16.00 2.65 20.89 17.79 ULMN 3 1dhp_c02 DIHYDRODIPICOLINATE SYNTHASE user 8 3 # 8 A 44 THR B 215 THR^? 14.70 O2 SO4 B 243 A 45 THR B 179 THR.? 15.44 O2 SO4 B 243 A 161 LYS B 175 LYS~? 16.29 O2 SO4 B 243 coo 26.16 88.25 79.16 25.22 89.47 80.71 0.58 18.40 29.12 -0.17 20.01 30.35 coo 27.73 89.90 76.08 29.24 91.46 75.95 5.22 18.26 27.37 4.37 17.66 29.21 coo 33.83 91.15 88.62 31.07 91.06 83.02 -0.06 28.25 32.86 0.77 33.04 34.82 ULMN 3 1dhp_c02 DIHYDRODIPICOLINATE SYNTHASE user 9 3 # 9 A 44 THR B 215 THR^? 14.70 O2 SO4 B 243 A 45 THR B 179 THR.? 15.44 O2 SO4 B 243 A 161 LYS B 211 LYS^? 7.04 O1 SO4 B 243 coo 26.16 88.25 79.16 25.22 89.47 80.71 0.58 18.40 29.12 -0.17 20.01 30.35 coo 27.73 89.90 76.08 29.24 91.46 75.95 5.22 18.26 27.37 4.37 17.66 29.21 coo 33.83 91.15 88.62 31.07 91.06 83.02 -1.16 16.10 16.00 2.65 20.89 17.79 ULMN 3 1dhp_c02 DIHYDRODIPICOLINATE SYNTHASE user 10 3 # 10 A 44 THR B 234 THR^? 22.19 O1 SO4 B 243 A 45 THR B 84 THR.? 24.74 O4 SO4 B 243 A 161 LYS A 211 LYS^? 6.62 O3 SO4 A 243 coo 26.16 88.25 79.16 25.22 89.47 80.71 9.89 17.01 2.18 11.66 16.49 1.08 coo 27.73 89.90 76.08 29.24 91.46 75.95 11.98 19.96 -1.70 13.71 19.47 -2.93 coo 33.83 91.15 88.62 31.07 91.06 83.02 17.59 6.59 4.81 17.28 1.50 8.69 1dhp_c02 source 1dhp DIHYDRODIPICOLINATE SYNTHASE : 10 hits 1dhp_c02 naa= 3 ULMN 3 1dhp_c03 DIHYDRODIPICOLINATE SYNTHASE user 1 3 # 1 B 44 THR A 179 THR.? 15.18 O4 SO4 A 243 B 45 THR A 215 THR^? 14.39 O4 SO4 A 243 B 161 LYS A 183 LYS^? 12.80 O3 SO4 A 243 coo 7.39 128.28 94.56 8.34 126.36 94.79 24.49 4.59 16.02 26.60 5.17 15.98 coo 5.75 129.25 91.25 4.29 128.16 90.07 28.17 4.34 12.79 29.62 2.69 12.72 coo -0.17 119.75 99.65 2.51 123.83 95.70 15.64 9.91 6.99 14.95 7.19 11.14 ULMN 3 1dhp_c03 DIHYDRODIPICOLINATE SYNTHASE user 2 3 # 2 B 44 THR A 179 THR.? 15.18 O4 SO4 A 243 B 45 THR A 215 THR^? 14.39 O4 SO4 A 243 B 161 LYS A 211 LYS^? 6.62 O3 SO4 A 243 coo 7.39 128.28 94.56 8.34 126.36 94.79 24.49 4.59 16.02 26.60 5.17 15.98 coo 5.75 129.25 91.25 4.29 128.16 90.07 28.17 4.34 12.79 29.62 2.69 12.72 coo -0.17 119.75 99.65 2.51 123.83 95.70 17.59 6.59 4.81 17.28 1.50 8.69 ULMN 3 1dhp_c03 DIHYDRODIPICOLINATE SYNTHASE user 3 3 # 3 B 44 THR A 215 THR^? 14.39 O4 SO4 A 243 B 45 THR A 179 THR.? 15.18 O4 SO4 A 243 B 161 LYS A 171 LYS~? 11.57 O4 SO4 A 243 coo 7.39 128.28 94.56 8.34 126.36 94.79 28.17 4.34 12.79 29.62 2.69 12.72 coo 5.75 129.25 91.25 4.29 128.16 90.07 24.49 4.59 16.02 26.60 5.17 15.98 coo -0.17 119.75 99.65 2.51 123.83 95.70 27.37 -6.86 13.66 24.72 -6.49 19.13 ULMN 3 1dhp_c03 DIHYDRODIPICOLINATE SYNTHASE user 4 3 # 4 B 44 THR A 215 THR^? 14.39 O4 SO4 A 243 B 45 THR A 179 THR.? 15.18 O4 SO4 A 243 B 161 LYS A 175 LYS~? 15.75 O4 SO4 A 243 coo 7.39 128.28 94.56 8.34 126.36 94.79 28.17 4.34 12.79 29.62 2.69 12.72 coo 5.75 129.25 91.25 4.29 128.16 90.07 24.49 4.59 16.02 26.60 5.17 15.98 coo -0.17 119.75 99.65 2.51 123.83 95.70 31.71 -5.61 14.13 32.23 -10.41 15.70 ULMN 3 1dhp_c03 DIHYDRODIPICOLINATE SYNTHASE user 5 3 # 5 B 44 THR A 215 THR^? 14.39 O4 SO4 A 243 B 45 THR A 179 THR.? 15.18 O4 SO4 A 243 B 161 LYS A 211 LYS^? 6.62 O3 SO4 A 243 coo 7.39 128.28 94.56 8.34 126.36 94.79 28.17 4.34 12.79 29.62 2.69 12.72 coo 5.75 129.25 91.25 4.29 128.16 90.07 24.49 4.59 16.02 26.60 5.17 15.98 coo -0.17 119.75 99.65 2.51 123.83 95.70 17.59 6.59 4.81 17.28 1.50 8.69 ULMN 3 1dhp_c03 DIHYDRODIPICOLINATE SYNTHASE user 6 3 # 6 B 44 THR B 179 THR.? 15.44 O2 SO4 B 243 B 45 THR B 215 THR^? 14.70 O2 SO4 B 243 B 161 LYS B 183 LYS^? 10.90 O1 SO4 B 243 coo 7.39 128.28 94.56 8.34 126.36 94.79 5.22 18.26 27.37 4.37 17.66 29.21 coo 5.75 129.25 91.25 4.29 128.16 90.07 0.58 18.40 29.12 -0.17 20.01 30.35 coo -0.17 119.75 99.65 2.51 123.83 95.70 1.60 12.78 15.42 4.74 17.90 14.06 ULMN 3 1dhp_c03 DIHYDRODIPICOLINATE SYNTHASE user 7 3 # 7 B 44 THR B 179 THR.? 15.44 O2 SO4 B 243 B 45 THR B 215 THR^? 14.70 O2 SO4 B 243 B 161 LYS B 211 LYS^? 7.04 O1 SO4 B 243 coo 7.39 128.28 94.56 8.34 126.36 94.79 5.22 18.26 27.37 4.37 17.66 29.21 coo 5.75 129.25 91.25 4.29 128.16 90.07 0.58 18.40 29.12 -0.17 20.01 30.35 coo -0.17 119.75 99.65 2.51 123.83 95.70 -1.16 16.10 16.00 2.65 20.89 17.79 ULMN 3 1dhp_c03 DIHYDRODIPICOLINATE SYNTHASE user 8 3 # 8 B 44 THR B 215 THR^? 14.70 O2 SO4 B 243 B 45 THR B 179 THR.? 15.44 O2 SO4 B 243 B 161 LYS B 175 LYS~? 16.29 O2 SO4 B 243 coo 7.39 128.28 94.56 8.34 126.36 94.79 0.58 18.40 29.12 -0.17 20.01 30.35 coo 5.75 129.25 91.25 4.29 128.16 90.07 5.22 18.26 27.37 4.37 17.66 29.21 coo -0.17 119.75 99.65 2.51 123.83 95.70 -0.06 28.25 32.86 0.77 33.04 34.82 ULMN 3 1dhp_c03 DIHYDRODIPICOLINATE SYNTHASE user 9 3 # 9 B 44 THR B 215 THR^? 14.70 O2 SO4 B 243 B 45 THR B 179 THR.? 15.44 O2 SO4 B 243 B 161 LYS B 211 LYS^? 7.04 O1 SO4 B 243 coo 7.39 128.28 94.56 8.34 126.36 94.79 0.58 18.40 29.12 -0.17 20.01 30.35 coo 5.75 129.25 91.25 4.29 128.16 90.07 5.22 18.26 27.37 4.37 17.66 29.21 coo -0.17 119.75 99.65 2.51 123.83 95.70 -1.16 16.10 16.00 2.65 20.89 17.79 ULMN 3 1dhp_c03 DIHYDRODIPICOLINATE SYNTHASE user 10 3 # 10 B 44 THR B 234 THR^? 22.19 O1 SO4 B 243 B 45 THR B 84 THR.? 24.74 O4 SO4 B 243 B 161 LYS A 211 LYS^? 6.62 O3 SO4 A 243 coo 7.39 128.28 94.56 8.34 126.36 94.79 9.89 17.01 2.18 11.66 16.49 1.08 coo 5.75 129.25 91.25 4.29 128.16 90.07 11.98 19.96 -1.70 13.71 19.47 -2.93 coo -0.17 119.75 99.65 2.51 123.83 95.70 17.59 6.59 4.81 17.28 1.50 8.69 1dhp_c03 source 1dhp DIHYDRODIPICOLINATE SYNTHASE : 10 hits 1dhp_c03 naa= 3 ULMN 3 1dhr_c00 DIHYDROPTERIDINE REDUCTASE (DHPR) (Euser 1 3 # 1 146 TYR A 197 TYR~? 17.30 O1 SO4 A 243 150 LYS A 131 LYS^? 17.03 O1 SO4 A 243 186 ASN A 136 ASN.? 17.89 O2 SO4 A 243 coo 32.88 50.55 24.33 31.89 51.78 26.65 9.27 -5.67 -7.32 11.22 -6.86 -8.96 coo 27.04 52.42 22.30 26.88 49.99 27.00 16.33 -5.43 -3.31 16.51 -3.10 -9.13 coo 36.98 50.30 37.29 35.85 50.29 35.50 0.79 -6.12 4.86 -1.05 -6.29 5.90 ULMN 3 1dhr_c00 DIHYDROPTERIDINE REDUCTASE (DHPR) (Euser 2 3 # 2 146 TYR A 222 TYR^? 7.75 O4 SO4 A 243 150 LYS A 211 LYS^? 6.62 O3 SO4 A 243 186 ASN A 217 ASN~? 21.76 O4 SO4 A 243 coo 32.88 50.55 24.33 31.89 51.78 26.65 23.05 0.50 5.53 21.22 0.35 7.67 coo 27.04 52.42 22.30 26.88 49.99 27.00 17.59 6.59 4.81 17.28 1.50 8.69 coo 36.98 50.30 37.29 35.85 50.29 35.50 33.86 8.35 13.24 35.05 7.27 14.73 ULMN 3 1dhr_c00 DIHYDROPTERIDINE REDUCTASE (DHPR) (Euser 3 3 # 3 146 TYR B 197 TYR~? 17.25 O3 SO4 B 243 150 LYS B 131 LYS^? 17.11 O1 SO4 B 243 186 ASN B 136 ASN.? 14.49 O4 SO4 B 243 coo 32.88 50.55 24.33 31.89 51.78 26.65 -8.04 28.46 2.86 -10.26 29.82 3.98 coo 27.04 52.42 22.30 26.88 49.99 27.00 -7.93 28.07 10.94 -13.10 25.67 8.39 coo 36.98 50.30 37.29 35.85 50.29 35.50 7.06 29.24 3.43 9.17 29.25 3.86 ULMN 3 1dhr_c00 DIHYDROPTERIDINE REDUCTASE (DHPR) (Euser 4 3 # 4 146 TYR B 197 TYR~? 17.25 O3 SO4 B 243 150 LYS B 196 LYS~? 22.85 O3 SO4 B 243 186 ASN B 136 ASN.? 14.49 O4 SO4 B 243 coo 32.88 50.55 24.33 31.89 51.78 26.65 -8.04 28.46 2.86 -10.26 29.82 3.98 coo 27.04 52.42 22.30 26.88 49.99 27.00 -8.91 27.48 -2.00 -11.17 32.01 -1.90 coo 36.98 50.30 37.29 35.85 50.29 35.50 7.06 29.24 3.43 9.17 29.25 3.86 1dhr_c00 source 1dhr DIHYDROPTERIDINE REDUCTASE (DHPR) (E.C.1.6.99.: 4 hits 1dhr_c00 naa= 3 ULMN 3 1do8_c00 MALIC ENZYME user 1 3 # 1 A 112 TYR B 174 TYR~? 13.14 O2 SO4 B 243 A 183 LYS B 175 LYS~? 16.29 O2 SO4 B 243 A 278 ASP B 168 ASP~? 6.50 O2 SO4 B 243 coo 19.43 18.53 42.32 17.66 18.80 40.15 -5.23 29.34 29.67 -7.24 30.79 28.42 coo 21.92 15.80 36.19 17.64 19.44 36.35 -0.06 28.25 32.86 0.77 33.04 34.82 coo 15.46 19.03 31.40 15.01 18.25 33.31 3.03 33.25 23.92 5.06 33.14 23.36 1do8_c00 source 1do8 MALIC ENZYME : 1 hits 1do8_c00 naa= 3 ULMN 3 1do8_c01 MALIC ENZYME user 1 3 # 1 B 112 TYR B 174 TYR~? 13.14 O2 SO4 B 243 B 183 LYS B 175 LYS~? 16.29 O2 SO4 B 243 B 278 ASP B 168 ASP~? 6.50 O2 SO4 B 243 coo 58.62 15.99 58.34 60.98 14.60 58.93 -5.23 29.34 29.67 -7.24 30.79 28.42 coo 60.11 10.60 53.63 62.59 10.74 58.67 -0.06 28.25 32.86 0.77 33.04 34.82 coo 66.50 7.32 58.45 66.26 9.42 58.23 3.03 33.25 23.92 5.06 33.14 23.36 1do8_c01 source 1do8 MALIC ENZYME : 1 hits 1do8_c01 naa= 3 ULMN 3 1do8_c02 MALIC ENZYME user 1 3 # 1 C 112 TYR B 174 TYR~? 13.14 O2 SO4 B 243 C 183 LYS B 175 LYS~? 16.29 O2 SO4 B 243 C 278 ASP B 168 ASP~? 6.50 O2 SO4 B 243 coo 76.02 -16.57 8.89 78.24 -15.17 9.87 -5.23 29.34 29.67 -7.24 30.79 28.42 coo 74.18 -11.17 13.22 79.08 -11.19 10.47 -0.06 28.25 32.86 0.77 33.04 34.82 coo 82.27 -7.93 13.54 81.93 -10.04 13.72 3.03 33.25 23.92 5.06 33.14 23.36 1do8_c02 source 1do8 MALIC ENZYME : 1 hits 1do8_c02 naa= 3 ULMN 3 1ds2_c02 PROTEINASE B (SGPB user 1 3 # 1 E 57 HIS A 106 HIS^? 13.08 O1 SO4 A 243 E 102 ASP A 107 ASP^? 18.51 O1 SO4 A 243 E 193 GLY A 155 GLY~? 16.12 O1 SO4 A 243 coo 11.39 26.86 25.95 9.85 26.64 27.36 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo 10.90 32.83 25.96 10.83 30.68 25.98 23.22 -6.70 -8.91 22.86 -8.00 -10.43 coo 4.57 20.60 30.29 4.74 21.36 30.66 32.17 -9.95 0.50 31.84 -9.33 0.84 ULMN 3 1ds2_c02 PROTEINASE B (SGPB user 2 3 # 2 E 57 HIS B 106 HIS^? 13.01 O3 SO4 B 243 E 102 ASP B 107 ASP^? 18.02 O3 SO4 B 243 E 193 GLY B 155 GLY~? 16.11 O3 SO4 B 243 coo 11.39 26.86 25.95 9.85 26.64 27.36 -11.40 33.04 16.07 -11.74 35.05 16.56 coo 10.90 32.83 25.96 10.83 30.68 25.98 -16.27 29.29 14.31 -16.58 30.52 12.63 coo 4.57 20.60 30.29 4.74 21.36 30.66 -12.14 32.63 26.81 -11.73 31.99 26.60 1ds2_c02 source 1ds2 PROTEINASE B (SGPB : 2 hits 1ds2_c02 naa= 3 ULMN 3 1dwo_c00 HYDROXYNITRILE LYASE user 1 3 # 1 A 80 SER A 105 SER^? 14.75 O1 SO4 A 243 A 208 ASP A 157 ASP~? 15.53 O1 SO4 A 243 A 236 HIS A 106 HIS^? 13.08 O1 SO4 A 243 coo 49.19 42.85 125.39 50.92 43.54 123.63 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo 57.80 42.94 129.59 56.47 43.28 127.93 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo 55.54 41.70 125.00 53.71 42.50 124.53 22.50 -10.50 -3.88 23.13 -12.51 -3.91 ULMN 3 1dwo_c00 HYDROXYNITRILE LYASE user 2 3 # 2 A 80 SER B 105 SER^? 14.66 O3 SO4 B 243 A 208 ASP B 157 ASP~? 15.61 O3 SO4 B 243 A 236 HIS B 106 HIS^? 13.01 O3 SO4 B 243 coo 49.19 42.85 125.39 50.92 43.54 123.63 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 57.80 42.94 129.59 56.47 43.28 127.93 -12.32 32.41 21.01 -13.75 33.02 22.44 coo 55.54 41.70 125.00 53.71 42.50 124.53 -11.40 33.04 16.07 -11.74 35.05 16.56 1dwo_c00 source 1dwo HYDROXYNITRILE LYASE : 2 hits 1dwo_c00 naa= 3 ULMN 3 1dwo_c01 HYDROXYNITRILE LYASE user 1 3 # 1 B 80 SER A 105 SER^? 14.75 O1 SO4 A 243 B 208 ASP A 157 ASP~? 15.53 O1 SO4 A 243 B 236 HIS A 106 HIS^? 13.08 O1 SO4 A 243 coo 55.25 19.46 97.60 53.04 19.32 98.76 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo 57.34 11.46 102.30 56.11 13.10 101.70 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo 55.03 16.17 103.08 54.39 17.23 101.45 22.50 -10.50 -3.88 23.13 -12.51 -3.91 ULMN 3 1dwo_c01 HYDROXYNITRILE LYASE user 2 3 # 2 B 80 SER B 105 SER^? 14.66 O3 SO4 B 243 B 208 ASP B 157 ASP~? 15.61 O3 SO4 B 243 B 236 HIS B 106 HIS^? 13.01 O3 SO4 B 243 coo 55.25 19.46 97.60 53.04 19.32 98.76 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 57.34 11.46 102.30 56.11 13.10 101.70 -12.32 32.41 21.01 -13.75 33.02 22.44 coo 55.03 16.17 103.08 54.39 17.23 101.45 -11.40 33.04 16.07 -11.74 35.05 16.56 1dwo_c01 source 1dwo HYDROXYNITRILE LYASE : 2 hits 1dwo_c01 naa= 3 ULMN 3 1e19_c00 CARBAMATE KINASE-LIKE CARBAMOYLPHOSPuser 1 3 # 1 A 131 LYS A 131 LYS^? 17.03 O1 SO4 A 243 A 215 LYS A 211 LYS^? 6.62 O3 SO4 A 243 A 277 LYS A 118 LYS~? 14.73 O3 SO4 A 243 coo 0.50 24.09 51.68 1.51 29.34 52.35 16.33 -5.43 -3.31 16.51 -3.10 -9.13 coo 13.06 30.79 51.73 11.40 35.76 53.48 17.59 6.59 4.81 17.28 1.50 8.69 coo 13.04 31.88 60.72 10.57 35.34 57.49 25.35 9.54 0.37 20.43 7.24 0.70 ULMN 3 1e19_c00 CARBAMATE KINASE-LIKE CARBAMOYLPHOSPuser 2 3 # 2 A 131 LYS B 131 LYS^? 17.11 O1 SO4 B 243 A 215 LYS B 211 LYS^? 7.04 O1 SO4 B 243 A 277 LYS B 118 LYS~? 15.88 O1 SO4 B 243 coo 0.50 24.09 51.68 1.51 29.34 52.35 -7.93 28.07 10.94 -13.10 25.67 8.39 coo 13.06 30.79 51.73 11.40 35.76 53.48 -1.16 16.10 16.00 2.65 20.89 17.79 coo 13.04 31.88 60.72 10.57 35.34 57.49 -8.85 13.11 20.72 -7.39 14.71 15.31 1e19_c00 source 1e19 CARBAMATE KINASE-LIKE CARBAMOYLPHOSPHATE SYNTH: 2 hits 1e19_c00 naa= 3 ULMN 3 1e19_c01 CARBAMATE KINASE-LIKE CARBAMOYLPHOSPuser 1 3 # 1 B 131 LYS A 131 LYS^? 17.03 O1 SO4 A 243 B 215 LYS A 211 LYS^? 6.62 O3 SO4 A 243 B 277 LYS A 118 LYS~? 14.73 O3 SO4 A 243 coo 6.78 45.91 16.15 7.82 40.81 15.84 16.33 -5.43 -3.31 16.51 -3.10 -9.13 coo 17.88 38.77 19.81 16.38 34.23 17.24 17.59 6.59 4.81 17.28 1.50 8.69 coo 20.33 37.78 11.20 16.77 34.53 13.47 25.35 9.54 0.37 20.43 7.24 0.70 ULMN 3 1e19_c01 CARBAMATE KINASE-LIKE CARBAMOYLPHOSPuser 2 3 # 2 B 131 LYS A 183 LYS^? 12.80 O3 SO4 A 243 B 215 LYS A 118 LYS~? 14.73 O3 SO4 A 243 B 277 LYS A 113 LYS~? 30.41 O3 SO4 A 243 coo 6.78 45.91 16.15 7.82 40.81 15.84 15.64 9.91 6.99 14.95 7.19 11.14 coo 17.88 38.77 19.81 16.38 34.23 17.24 25.35 9.54 0.37 20.43 7.24 0.70 coo 20.33 37.78 11.20 16.77 34.53 13.47 26.35 9.86 -8.18 28.43 13.70 -12.96 ULMN 3 1e19_c01 CARBAMATE KINASE-LIKE CARBAMOYLPHOSPuser 3 3 # 3 B 131 LYS B 131 LYS^? 17.11 O1 SO4 B 243 B 215 LYS B 211 LYS^? 7.04 O1 SO4 B 243 B 277 LYS B 118 LYS~? 15.88 O1 SO4 B 243 coo 6.78 45.91 16.15 7.82 40.81 15.84 -7.93 28.07 10.94 -13.10 25.67 8.39 coo 17.88 38.77 19.81 16.38 34.23 17.24 -1.16 16.10 16.00 2.65 20.89 17.79 coo 20.33 37.78 11.20 16.77 34.53 13.47 -8.85 13.11 20.72 -7.39 14.71 15.31 1e19_c01 source 1e19 CARBAMATE KINASE-LIKE CARBAMOYLPHOSPHATE SYNTH: 3 hits 1e19_c01 naa= 3 ULMN 3 1e3v_c02 STEROID DELTA-ISOMERASE user 1 3 # 1 A 16 TYR A 148 TYR^? 8.27 O1 SO4 A 243 A 40 ASP A 107 ASP^? 18.51 O1 SO4 A 243 A 103 ASP A 157 ASP~? 15.53 O1 SO4 A 243 coo 3.86 -20.80 85.74 4.58 -18.11 85.73 25.02 -3.19 2.22 22.65 -3.79 3.58 coo 8.98 -11.19 82.60 6.87 -11.00 82.49 23.22 -6.70 -8.91 22.86 -8.00 -10.43 coo 5.15 -17.92 79.35 5.03 -16.26 80.65 27.16 -9.86 -2.28 29.16 -10.33 -2.80 ULMN 3 1e3v_c02 STEROID DELTA-ISOMERASE user 2 3 # 2 A 16 TYR B 148 TYR^? 8.32 O1 SO4 B 243 A 40 ASP B 107 ASP^? 18.02 O3 SO4 B 243 A 103 ASP B 157 ASP~? 15.61 O3 SO4 B 243 coo 3.86 -20.80 85.74 4.58 -18.11 85.73 -7.17 25.88 21.30 -4.84 26.54 19.90 coo 8.98 -11.19 82.60 6.87 -11.00 82.49 -16.27 29.29 14.31 -16.58 30.52 12.63 coo 5.15 -17.92 79.35 5.03 -16.26 80.65 -12.32 32.41 21.01 -13.75 33.02 22.44 1e3v_c02 source 1e3v STEROID DELTA-ISOMERASE : 2 hits 1e3v_c02 naa= 3 ULMN 3 1e3v_c03 STEROID DELTA-ISOMERASE user 1 3 # 1 B 16 TYR A 148 TYR^? 8.27 O1 SO4 A 243 B 40 ASP A 107 ASP^? 18.51 O1 SO4 A 243 B 103 ASP A 157 ASP~? 15.53 O1 SO4 A 243 coo 4.95 -16.38 58.56 5.78 -19.05 58.68 25.02 -3.19 2.22 22.65 -3.79 3.58 coo 9.81 -26.10 62.11 7.73 -26.45 62.06 23.22 -6.70 -8.91 22.86 -8.00 -10.43 coo 5.71 -19.27 64.99 5.64 -20.90 63.63 27.16 -9.86 -2.28 29.16 -10.33 -2.80 ULMN 3 1e3v_c03 STEROID DELTA-ISOMERASE user 2 3 # 2 B 16 TYR B 148 TYR^? 8.32 O1 SO4 B 243 B 40 ASP B 107 ASP^? 18.02 O3 SO4 B 243 B 103 ASP B 157 ASP~? 15.61 O3 SO4 B 243 coo 4.95 -16.38 58.56 5.78 -19.05 58.68 -7.17 25.88 21.30 -4.84 26.54 19.90 coo 9.81 -26.10 62.11 7.73 -26.45 62.06 -16.27 29.29 14.31 -16.58 30.52 12.63 coo 5.71 -19.27 64.99 5.64 -20.90 63.63 -12.32 32.41 21.01 -13.75 33.02 22.44 1e3v_c03 source 1e3v STEROID DELTA-ISOMERASE : 2 hits 1e3v_c03 naa= 3 ULMN 3 1eag_c04 PEPTIDE INHIBITOR user 1 3 # 1 A 32 ASP A 107 ASP^? 18.51 O1 SO4 A 243 A 35 SER A 105 SER^? 14.75 O1 SO4 A 243 A 218 ASP A 157 ASP~? 15.53 O1 SO4 A 243 coo 47.22 22.34 8.57 45.16 22.02 9.13 23.22 -6.70 -8.91 22.86 -8.00 -10.43 coo 43.58 20.85 5.15 44.62 23.01 5.76 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo 44.05 16.99 12.67 44.05 18.89 11.74 27.16 -9.86 -2.28 29.16 -10.33 -2.80 ULMN 3 1eag_c04 PEPTIDE INHIBITOR user 2 3 # 2 A 32 ASP A 199 ASP~? 23.37 O3 SO4 A 243 A 35 SER A 195 SER~? 24.26 O3 SO4 A 243 A 218 ASP A 201 ASP.? 28.67 O3 SO4 A 243 coo 47.22 22.34 8.57 45.16 22.02 9.13 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 coo 43.58 20.85 5.15 44.62 23.01 5.76 4.31 -1.23 -10.07 4.20 -1.50 -12.49 coo 44.05 16.99 12.67 44.05 18.89 11.74 -1.72 1.66 -11.39 -3.36 0.47 -11.68 ULMN 3 1eag_c04 PEPTIDE INHIBITOR user 3 3 # 3 A 32 ASP A 201 ASP.? 28.67 O3 SO4 A 243 A 35 SER A 195 SER~? 24.26 O3 SO4 A 243 A 218 ASP A 199 ASP~? 23.37 O3 SO4 A 243 coo 47.22 22.34 8.57 45.16 22.02 9.13 -1.72 1.66 -11.39 -3.36 0.47 -11.68 coo 43.58 20.85 5.15 44.62 23.01 5.76 4.31 -1.23 -10.07 4.20 -1.50 -12.49 coo 44.05 16.99 12.67 44.05 18.89 11.74 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 ULMN 3 1eag_c04 PEPTIDE INHIBITOR user 4 3 # 4 A 32 ASP B 107 ASP^? 18.02 O3 SO4 B 243 A 35 SER B 105 SER^? 14.66 O3 SO4 B 243 A 218 ASP B 157 ASP~? 15.61 O3 SO4 B 243 coo 47.22 22.34 8.57 45.16 22.02 9.13 -16.27 29.29 14.31 -16.58 30.52 12.63 coo 43.58 20.85 5.15 44.62 23.01 5.76 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 44.05 16.99 12.67 44.05 18.89 11.74 -12.32 32.41 21.01 -13.75 33.02 22.44 1eag_c04 source 1eag PEPTIDE INHIBITOR : 4 hits 1eag_c04 naa= 3 ULMN 3 1ec9_c04 GLUCARATE DEHYDRATASE user 1 3 # 1 A 205 LYS A 171 LYS~? 11.57 O4 SO4 A 243 A 207 LYS A 175 LYS~? 15.75 O4 SO4 A 243 A 366 ASP A 168 ASP~? 7.04 O4 SO4 A 243 coo -15.19 -26.42 1.17 -15.94 -21.72 -3.01 27.37 -6.86 13.66 24.72 -6.49 19.13 coo -20.91 -23.36 1.14 -20.26 -20.07 -2.33 31.71 -5.61 14.13 32.23 -10.41 15.70 coo -13.66 -24.10 -6.32 -13.27 -22.99 -4.55 22.19 -10.44 12.27 20.99 -10.59 13.96 1ec9_c04 source 1ec9 GLUCARATE DEHYDRATASE : 1 hits 1ec9_c04 naa= 3 ULMN 3 1ec9_c06 GLUCARATE DEHYDRATASE user 1 3 # 1 C 205 LYS A 171 LYS~? 11.57 O4 SO4 A 243 C 207 LYS A 175 LYS~? 15.75 O4 SO4 A 243 C 366 ASP A 168 ASP~? 7.04 O4 SO4 A 243 coo 15.57 11.65 -23.50 16.31 5.98 -20.68 27.37 -6.86 13.66 24.72 -6.49 19.13 coo 21.27 10.43 -20.58 20.77 6.00 -18.91 31.71 -5.61 14.13 32.23 -10.41 15.70 coo 14.28 3.88 -24.50 13.85 4.89 -22.78 22.19 -10.44 12.27 20.99 -10.59 13.96 1ec9_c06 source 1ec9 GLUCARATE DEHYDRATASE : 1 hits 1ec9_c06 naa= 3 ULMN 3 1ec9_c07 GLUCARATE DEHYDRATASE user 1 3 # 1 D 205 LYS A 171 LYS~? 11.57 O4 SO4 A 243 D 207 LYS A 175 LYS~? 15.75 O4 SO4 A 243 D 366 ASP A 168 ASP~? 7.04 O4 SO4 A 243 coo 11.00 -13.38 25.10 13.14 -7.87 22.68 27.37 -6.86 13.66 24.72 -6.49 19.13 coo 17.14 -12.99 22.96 17.50 -8.64 21.08 31.71 -5.61 14.13 32.23 -10.41 15.70 coo 10.74 -5.36 25.95 10.35 -6.43 24.20 22.19 -10.44 12.27 20.99 -10.59 13.96 1ec9_c07 source 1ec9 GLUCARATE DEHYDRATASE : 1 hits 1ec9_c07 naa= 3 ULMN 3 1ecx_c02 AMINOTRANSFERASE user 1 3 # 1 A 99 HIS A 167 HIS~? -3.76 O4 SO4 A 243s A 177 ASP A 168 ASP~? 7.04 O4 SO4 A 243 A 203 LYS A 175 LYS~? 15.75 O4 SO4 A 243 coo 8.74 45.76 47.19 9.33 46.93 45.56 20.59 -3.79 11.26 20.06 -1.97 10.36 coo 11.68 42.31 52.96 12.05 43.92 51.65 22.19 -10.44 12.27 20.99 -10.59 13.96 coo 18.07 52.81 49.62 14.17 49.99 48.07 31.71 -5.61 14.13 32.23 -10.41 15.70 ULMN 3 1ecx_c02 AMINOTRANSFERASE user 2 3 # 2 A 99 HIS A 180 HIS^? 16.73 O4 SO4 A 243 A 177 ASP A 218 ASP~? 20.27 O4 SO4 A 243 A 203 LYS A 118 LYS~? 14.73 O3 SO4 A 243 coo 8.74 45.76 47.19 9.33 46.93 45.56 23.63 8.86 13.89 25.45 9.53 13.13 coo 11.68 42.31 52.96 12.05 43.92 51.65 29.47 11.44 11.56 27.66 12.20 10.67 coo 18.07 52.81 49.62 14.17 49.99 48.07 25.35 9.54 0.37 20.43 7.24 0.70 ULMN 3 1ecx_c02 AMINOTRANSFERASE user 3 3 # 3 A 99 HIS A 180 HIS^? 16.73 O4 SO4 A 243 A 177 ASP A 218 ASP~? 20.27 O4 SO4 A 243 A 203 LYS A 183 LYS^? 12.80 O3 SO4 A 243 coo 8.74 45.76 47.19 9.33 46.93 45.56 23.63 8.86 13.89 25.45 9.53 13.13 coo 11.68 42.31 52.96 12.05 43.92 51.65 29.47 11.44 11.56 27.66 12.20 10.67 coo 18.07 52.81 49.62 14.17 49.99 48.07 15.64 9.91 6.99 14.95 7.19 11.14 ULMN 3 1ecx_c02 AMINOTRANSFERASE user 4 3 # 4 A 99 HIS A 180 HIS^? 16.73 O4 SO4 A 243 A 177 ASP A 218 ASP~? 20.27 O4 SO4 A 243 A 203 LYS A 211 LYS^? 6.62 O3 SO4 A 243 coo 8.74 45.76 47.19 9.33 46.93 45.56 23.63 8.86 13.89 25.45 9.53 13.13 coo 11.68 42.31 52.96 12.05 43.92 51.65 29.47 11.44 11.56 27.66 12.20 10.67 coo 18.07 52.81 49.62 14.17 49.99 48.07 17.59 6.59 4.81 17.28 1.50 8.69 ULMN 3 1ecx_c02 AMINOTRANSFERASE user 5 3 # 5 A 99 HIS B 180 HIS^? 17.04 O1 SO4 B 243 A 177 ASP B 218 ASP~? 20.31 O1 SO4 B 243 A 203 LYS B 118 LYS~? 15.88 O1 SO4 B 243 coo 8.74 45.76 47.19 9.33 46.93 45.56 3.74 13.87 25.77 2.21 13.26 27.09 coo 11.68 42.31 52.96 12.05 43.92 51.65 -1.00 11.19 29.58 -0.84 10.48 27.56 coo 18.07 52.81 49.62 14.17 49.99 48.07 -8.85 13.11 20.72 -7.39 14.71 15.31 ULMN 3 1ecx_c02 AMINOTRANSFERASE user 6 3 # 6 A 99 HIS B 180 HIS^? 17.04 O1 SO4 B 243 A 177 ASP B 218 ASP~? 20.31 O1 SO4 B 243 A 203 LYS B 183 LYS^? 10.90 O1 SO4 B 243 coo 8.74 45.76 47.19 9.33 46.93 45.56 3.74 13.87 25.77 2.21 13.26 27.09 coo 11.68 42.31 52.96 12.05 43.92 51.65 -1.00 11.19 29.58 -0.84 10.48 27.56 coo 18.07 52.81 49.62 14.17 49.99 48.07 1.60 12.78 15.42 4.74 17.90 14.06 ULMN 3 1ecx_c02 AMINOTRANSFERASE user 7 3 # 7 A 99 HIS B 180 HIS^? 17.04 O1 SO4 B 243 A 177 ASP B 218 ASP~? 20.31 O1 SO4 B 243 A 203 LYS B 211 LYS^? 7.04 O1 SO4 B 243 coo 8.74 45.76 47.19 9.33 46.93 45.56 3.74 13.87 25.77 2.21 13.26 27.09 coo 11.68 42.31 52.96 12.05 43.92 51.65 -1.00 11.19 29.58 -0.84 10.48 27.56 coo 18.07 52.81 49.62 14.17 49.99 48.07 -1.16 16.10 16.00 2.65 20.89 17.79 1ecx_c02 source 1ecx AMINOTRANSFERASE : 7 hits 1ecx_c02 naa= 3 ULMN 3 1ecx_c03 AMINOTRANSFERASE user 1 3 # 1 B 99 HIS A 180 HIS^? 16.73 O4 SO4 A 243 B 177 ASP A 218 ASP~? 20.27 O4 SO4 A 243 B 203 LYS A 118 LYS~? 14.73 O3 SO4 A 243 coo 14.87 88.04 21.51 13.64 87.90 19.81 23.63 8.86 13.89 25.45 9.53 13.13 coo 15.87 92.46 27.37 14.46 91.76 25.94 29.47 11.44 11.56 27.66 12.20 10.67 coo 3.60 91.42 23.52 8.20 89.55 22.63 25.35 9.54 0.37 20.43 7.24 0.70 ULMN 3 1ecx_c03 AMINOTRANSFERASE user 2 3 # 2 B 99 HIS A 180 HIS^? 16.73 O4 SO4 A 243 B 177 ASP A 218 ASP~? 20.27 O4 SO4 A 243 B 203 LYS A 183 LYS^? 12.80 O3 SO4 A 243 coo 14.87 88.04 21.51 13.64 87.90 19.81 23.63 8.86 13.89 25.45 9.53 13.13 coo 15.87 92.46 27.37 14.46 91.76 25.94 29.47 11.44 11.56 27.66 12.20 10.67 coo 3.60 91.42 23.52 8.20 89.55 22.63 15.64 9.91 6.99 14.95 7.19 11.14 ULMN 3 1ecx_c03 AMINOTRANSFERASE user 3 3 # 3 B 99 HIS A 180 HIS^? 16.73 O4 SO4 A 243 B 177 ASP A 218 ASP~? 20.27 O4 SO4 A 243 B 203 LYS A 211 LYS^? 6.62 O3 SO4 A 243 coo 14.87 88.04 21.51 13.64 87.90 19.81 23.63 8.86 13.89 25.45 9.53 13.13 coo 15.87 92.46 27.37 14.46 91.76 25.94 29.47 11.44 11.56 27.66 12.20 10.67 coo 3.60 91.42 23.52 8.20 89.55 22.63 17.59 6.59 4.81 17.28 1.50 8.69 ULMN 3 1ecx_c03 AMINOTRANSFERASE user 4 3 # 4 B 99 HIS B 180 HIS^? 17.04 O1 SO4 B 243 B 177 ASP B 218 ASP~? 20.31 O1 SO4 B 243 B 203 LYS B 118 LYS~? 15.88 O1 SO4 B 243 coo 14.87 88.04 21.51 13.64 87.90 19.81 3.74 13.87 25.77 2.21 13.26 27.09 coo 15.87 92.46 27.37 14.46 91.76 25.94 -1.00 11.19 29.58 -0.84 10.48 27.56 coo 3.60 91.42 23.52 8.20 89.55 22.63 -8.85 13.11 20.72 -7.39 14.71 15.31 ULMN 3 1ecx_c03 AMINOTRANSFERASE user 5 3 # 5 B 99 HIS B 180 HIS^? 17.04 O1 SO4 B 243 B 177 ASP B 218 ASP~? 20.31 O1 SO4 B 243 B 203 LYS B 183 LYS^? 10.90 O1 SO4 B 243 coo 14.87 88.04 21.51 13.64 87.90 19.81 3.74 13.87 25.77 2.21 13.26 27.09 coo 15.87 92.46 27.37 14.46 91.76 25.94 -1.00 11.19 29.58 -0.84 10.48 27.56 coo 3.60 91.42 23.52 8.20 89.55 22.63 1.60 12.78 15.42 4.74 17.90 14.06 ULMN 3 1ecx_c03 AMINOTRANSFERASE user 6 3 # 6 B 99 HIS B 180 HIS^? 17.04 O1 SO4 B 243 B 177 ASP B 218 ASP~? 20.31 O1 SO4 B 243 B 203 LYS B 211 LYS^? 7.04 O1 SO4 B 243 coo 14.87 88.04 21.51 13.64 87.90 19.81 3.74 13.87 25.77 2.21 13.26 27.09 coo 15.87 92.46 27.37 14.46 91.76 25.94 -1.00 11.19 29.58 -0.84 10.48 27.56 coo 3.60 91.42 23.52 8.20 89.55 22.63 -1.16 16.10 16.00 2.65 20.89 17.79 1ecx_c03 source 1ecx AMINOTRANSFERASE : 6 hits 1ecx_c03 naa= 3 ULMN 3 1eed_c04 ENDOTHIAPEPSIN (E.C.3.4.23.22) COMPLuser 1 3 # 1 P 32 ASP A 107 ASP^? 18.51 O1 SO4 A 243 P 35 SER A 105 SER^? 14.75 O1 SO4 A 243 P 215 ASP A 157 ASP~? 15.53 O1 SO4 A 243 coo 10.15 33.41 11.98 7.98 33.66 12.07 23.22 -6.70 -8.91 22.86 -8.00 -10.43 coo 7.57 37.60 10.00 8.86 37.02 12.03 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo 4.04 29.97 8.82 4.78 31.15 10.46 27.16 -9.86 -2.28 29.16 -10.33 -2.80 ULMN 3 1eed_c04 ENDOTHIAPEPSIN (E.C.3.4.23.22) COMPLuser 2 3 # 2 P 32 ASP A 199 ASP~? 23.37 O3 SO4 A 243 P 35 SER A 195 SER~? 24.26 O3 SO4 A 243 P 215 ASP A 201 ASP.? 28.67 O3 SO4 A 243 coo 10.15 33.41 11.98 7.98 33.66 12.07 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 coo 7.57 37.60 10.00 8.86 37.02 12.03 4.31 -1.23 -10.07 4.20 -1.50 -12.49 coo 4.04 29.97 8.82 4.78 31.15 10.46 -1.72 1.66 -11.39 -3.36 0.47 -11.68 ULMN 3 1eed_c04 ENDOTHIAPEPSIN (E.C.3.4.23.22) COMPLuser 3 3 # 3 P 32 ASP A 201 ASP.? 28.67 O3 SO4 A 243 P 35 SER A 195 SER~? 24.26 O3 SO4 A 243 P 215 ASP A 199 ASP~? 23.37 O3 SO4 A 243 coo 10.15 33.41 11.98 7.98 33.66 12.07 -1.72 1.66 -11.39 -3.36 0.47 -11.68 coo 7.57 37.60 10.00 8.86 37.02 12.03 4.31 -1.23 -10.07 4.20 -1.50 -12.49 coo 4.04 29.97 8.82 4.78 31.15 10.46 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 ULMN 3 1eed_c04 ENDOTHIAPEPSIN (E.C.3.4.23.22) COMPLuser 4 3 # 4 P 32 ASP B 107 ASP^? 18.02 O3 SO4 B 243 P 35 SER B 105 SER^? 14.66 O3 SO4 B 243 P 215 ASP B 157 ASP~? 15.61 O3 SO4 B 243 coo 10.15 33.41 11.98 7.98 33.66 12.07 -16.27 29.29 14.31 -16.58 30.52 12.63 coo 7.57 37.60 10.00 8.86 37.02 12.03 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 4.04 29.97 8.82 4.78 31.15 10.46 -12.32 32.41 21.01 -13.75 33.02 22.44 ULMN 3 1eed_c04 ENDOTHIAPEPSIN (E.C.3.4.23.22) COMPLuser 5 3 # 5 P 32 ASP B 199 ASP~? 23.68 O1 SO4 B 243 P 35 SER B 195 SER~? 24.29 O1 SO4 B 243 P 215 ASP B 201 ASP.? 28.94 O1 SO4 B 243 coo 10.15 33.41 11.98 7.98 33.66 12.07 -3.04 28.39 -4.12 -2.88 29.28 -6.05 coo 7.57 37.60 10.00 8.86 37.02 12.03 -8.00 23.84 -2.71 -9.97 24.14 -3.95 coo 4.04 29.97 8.82 4.78 31.15 10.46 -6.53 20.97 -8.85 -5.67 22.23 -10.32 ULMN 3 1eed_c04 ENDOTHIAPEPSIN (E.C.3.4.23.22) COMPLuser 6 3 # 6 P 32 ASP B 201 ASP.? 28.94 O1 SO4 B 243 P 35 SER B 195 SER~? 24.29 O1 SO4 B 243 P 215 ASP B 199 ASP~? 23.68 O1 SO4 B 243 coo 10.15 33.41 11.98 7.98 33.66 12.07 -6.53 20.97 -8.85 -5.67 22.23 -10.32 coo 7.57 37.60 10.00 8.86 37.02 12.03 -8.00 23.84 -2.71 -9.97 24.14 -3.95 coo 4.04 29.97 8.82 4.78 31.15 10.46 -3.04 28.39 -4.12 -2.88 29.28 -6.05 1eed_c04 source 1eed ENDOTHIAPEPSIN (E.C.3.4.23.22) COMPLEX WITH TH: 6 hits 1eed_c04 naa= 3 ULMN 3 1ehy_c00 SOLUBLE EPOXIDE HYDROLASE user 1 3 # 1 A 107 ASP A 107 ASP^? 18.51 O1 SO4 A 243 A 246 ASP A 162 ASP.? 11.51 O1 SO4 A 243 A 275 HIS A 106 HIS^? 13.08 O1 SO4 A 243 coo 28.44 37.56 46.79 26.87 37.11 48.10 23.22 -6.70 -8.91 22.86 -8.00 -10.43 coo 22.84 50.35 52.24 23.24 48.32 52.90 14.78 -15.75 1.96 14.18 -15.13 0.01 coo 26.67 42.94 48.26 27.49 41.07 48.73 22.50 -10.50 -3.88 23.13 -12.51 -3.91 ULMN 3 1ehy_c00 SOLUBLE EPOXIDE HYDROLASE user 2 3 # 2 A 107 ASP A 157 ASP~? 15.53 O1 SO4 A 243 A 246 ASP A 162 ASP.? 11.51 O1 SO4 A 243 A 275 HIS A 106 HIS^? 13.08 O1 SO4 A 243 coo 28.44 37.56 46.79 26.87 37.11 48.10 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo 22.84 50.35 52.24 23.24 48.32 52.90 14.78 -15.75 1.96 14.18 -15.13 0.01 coo 26.67 42.94 48.26 27.49 41.07 48.73 22.50 -10.50 -3.88 23.13 -12.51 -3.91 ULMN 3 1ehy_c00 SOLUBLE EPOXIDE HYDROLASE user 3 3 # 3 A 107 ASP B 107 ASP^? 18.02 O3 SO4 B 243 A 246 ASP B 162 ASP.? 11.47 O3 SO4 B 243 A 275 HIS B 106 HIS^? 13.01 O3 SO4 B 243 coo 28.44 37.56 46.79 26.87 37.11 48.10 -16.27 29.29 14.31 -16.58 30.52 12.63 coo 22.84 50.35 52.24 23.24 48.32 52.90 -2.91 38.69 12.19 -3.85 37.85 10.43 coo 26.67 42.94 48.26 27.49 41.07 48.73 -11.40 33.04 16.07 -11.74 35.05 16.56 ULMN 3 1ehy_c00 SOLUBLE EPOXIDE HYDROLASE user 4 3 # 4 A 107 ASP B 157 ASP~? 15.61 O3 SO4 B 243 A 246 ASP B 162 ASP.? 11.47 O3 SO4 B 243 A 275 HIS B 106 HIS^? 13.01 O3 SO4 B 243 coo 28.44 37.56 46.79 26.87 37.11 48.10 -12.32 32.41 21.01 -13.75 33.02 22.44 coo 22.84 50.35 52.24 23.24 48.32 52.90 -2.91 38.69 12.19 -3.85 37.85 10.43 coo 26.67 42.94 48.26 27.49 41.07 48.73 -11.40 33.04 16.07 -11.74 35.05 16.56 1ehy_c00 source 1ehy SOLUBLE EPOXIDE HYDROLASE : 4 hits 1ehy_c00 naa= 3 ULMN 3 1ehy_c01 SOLUBLE EPOXIDE HYDROLASE user 1 3 # 1 B 107 ASP A 107 ASP^? 18.51 O1 SO4 A 243 B 246 ASP A 162 ASP.? 11.51 O1 SO4 A 243 B 275 HIS A 106 HIS^? 13.08 O1 SO4 A 243 coo 34.84 56.77 81.62 34.95 54.74 82.03 23.22 -6.70 -8.91 22.86 -8.00 -10.43 coo 43.18 49.30 68.39 44.75 49.87 69.78 14.78 -15.75 1.96 14.18 -15.13 0.01 coo 38.73 55.10 77.62 36.80 55.01 78.46 22.50 -10.50 -3.88 23.13 -12.51 -3.91 ULMN 3 1ehy_c01 SOLUBLE EPOXIDE HYDROLASE user 2 3 # 2 B 107 ASP A 162 ASP.? 11.51 O1 SO4 A 243 B 246 ASP A 138 ASP.? 20.83 O2 SO4 A 243 B 275 HIS A 102 HIS^? 13.43 O1 SO4 A 243 coo 34.84 56.77 81.62 34.95 54.74 82.03 14.78 -15.75 1.96 14.18 -15.13 0.01 coo 43.18 49.30 68.39 44.75 49.87 69.78 -1.07 -12.13 0.13 -1.24 -14.06 1.00 coo 38.73 55.10 77.62 36.80 55.01 78.46 10.89 -12.56 -1.72 11.39 -13.56 -3.50 ULMN 3 1ehy_c01 SOLUBLE EPOXIDE HYDROLASE user 3 3 # 3 B 107 ASP A 162 ASP.? 11.51 O1 SO4 A 243 B 246 ASP A 199 ASP~? 23.37 O3 SO4 A 243 B 275 HIS A 102 HIS^? 13.43 O1 SO4 A 243 coo 34.84 56.77 81.62 34.95 54.74 82.03 14.78 -15.75 1.96 14.18 -15.13 0.01 coo 43.18 49.30 68.39 44.75 49.87 69.78 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 coo 38.73 55.10 77.62 36.80 55.01 78.46 10.89 -12.56 -1.72 11.39 -13.56 -3.50 ULMN 3 1ehy_c01 SOLUBLE EPOXIDE HYDROLASE user 4 3 # 4 B 107 ASP B 107 ASP^? 18.02 O3 SO4 B 243 B 246 ASP B 162 ASP.? 11.47 O3 SO4 B 243 B 275 HIS B 106 HIS^? 13.01 O3 SO4 B 243 coo 34.84 56.77 81.62 34.95 54.74 82.03 -16.27 29.29 14.31 -16.58 30.52 12.63 coo 43.18 49.30 68.39 44.75 49.87 69.78 -2.91 38.69 12.19 -3.85 37.85 10.43 coo 38.73 55.10 77.62 36.80 55.01 78.46 -11.40 33.04 16.07 -11.74 35.05 16.56 ULMN 3 1ehy_c01 SOLUBLE EPOXIDE HYDROLASE user 5 3 # 5 B 107 ASP B 162 ASP.? 11.47 O3 SO4 B 243 B 246 ASP B 138 ASP.? 20.16 O4 SO4 B 243 B 275 HIS B 102 HIS^? 13.40 O3 SO4 B 243 coo 34.84 56.77 81.62 34.95 54.74 82.03 -2.91 38.69 12.19 -3.85 37.85 10.43 coo 43.18 49.30 68.39 44.75 49.87 69.78 3.17 35.06 -2.07 1.06 35.64 -2.11 coo 38.73 55.10 77.62 36.80 55.01 78.46 -4.13 35.26 6.99 -5.90 36.34 6.69 ULMN 3 1ehy_c01 SOLUBLE EPOXIDE HYDROLASE user 6 3 # 6 B 107 ASP B 162 ASP.? 11.47 O3 SO4 B 243 B 246 ASP B 199 ASP~? 23.68 O1 SO4 B 243 B 275 HIS B 102 HIS^? 13.40 O3 SO4 B 243 coo 34.84 56.77 81.62 34.95 54.74 82.03 -2.91 38.69 12.19 -3.85 37.85 10.43 coo 43.18 49.30 68.39 44.75 49.87 69.78 -3.04 28.39 -4.12 -2.88 29.28 -6.05 coo 38.73 55.10 77.62 36.80 55.01 78.46 -4.13 35.26 6.99 -5.90 36.34 6.69 1ehy_c01 source 1ehy SOLUBLE EPOXIDE HYDROLASE : 6 hits 1ehy_c01 naa= 3 ULMN 3 1ehy_c02 SOLUBLE EPOXIDE HYDROLASE user 1 3 # 1 C 107 ASP A 107 ASP^? 18.51 O1 SO4 A 243 C 246 ASP A 162 ASP.? 11.51 O1 SO4 A 243 C 275 HIS A 106 HIS^? 13.08 O1 SO4 A 243 coo 1.90 35.26 72.76 3.20 35.74 71.18 23.22 -6.70 -8.91 22.86 -8.00 -10.43 coo 12.03 20.33 71.56 10.48 19.25 70.56 14.78 -15.75 1.96 14.18 -15.13 0.01 coo 3.92 29.96 71.75 4.22 31.96 72.31 22.50 -10.50 -3.88 23.13 -12.51 -3.91 ULMN 3 1ehy_c02 SOLUBLE EPOXIDE HYDROLASE user 2 3 # 2 C 107 ASP A 162 ASP.? 11.51 O1 SO4 A 243 C 246 ASP A 137 ASP.? 20.28 O2 SO4 A 243 C 275 HIS A 102 HIS^? 13.43 O1 SO4 A 243 coo 1.90 35.26 72.76 3.20 35.74 71.18 14.78 -15.75 1.96 14.18 -15.13 0.01 coo 12.03 20.33 71.56 10.48 19.25 70.56 -1.53 -10.78 4.66 -2.79 -9.50 3.60 coo 3.92 29.96 71.75 4.22 31.96 72.31 10.89 -12.56 -1.72 11.39 -13.56 -3.50 ULMN 3 1ehy_c02 SOLUBLE EPOXIDE HYDROLASE user 3 3 # 3 C 107 ASP A 162 ASP.? 11.51 O1 SO4 A 243 C 246 ASP A 138 ASP.? 20.83 O2 SO4 A 243 C 275 HIS A 102 HIS^? 13.43 O1 SO4 A 243 coo 1.90 35.26 72.76 3.20 35.74 71.18 14.78 -15.75 1.96 14.18 -15.13 0.01 coo 12.03 20.33 71.56 10.48 19.25 70.56 -1.07 -12.13 0.13 -1.24 -14.06 1.00 coo 3.92 29.96 71.75 4.22 31.96 72.31 10.89 -12.56 -1.72 11.39 -13.56 -3.50 ULMN 3 1ehy_c02 SOLUBLE EPOXIDE HYDROLASE user 4 3 # 4 C 107 ASP A 162 ASP.? 11.51 O1 SO4 A 243 C 246 ASP A 199 ASP~? 23.37 O3 SO4 A 243 C 275 HIS A 102 HIS^? 13.43 O1 SO4 A 243 coo 1.90 35.26 72.76 3.20 35.74 71.18 14.78 -15.75 1.96 14.18 -15.13 0.01 coo 12.03 20.33 71.56 10.48 19.25 70.56 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 coo 3.92 29.96 71.75 4.22 31.96 72.31 10.89 -12.56 -1.72 11.39 -13.56 -3.50 ULMN 3 1ehy_c02 SOLUBLE EPOXIDE HYDROLASE user 5 3 # 5 C 107 ASP A 204 ASP.? 25.99 O3 SO4 A 243 C 246 ASP A 138 ASP.? 20.83 O2 SO4 A 243 C 275 HIS A 229 HIS^? 22.39 O3 SO4 A 243 coo 1.90 35.26 72.76 3.20 35.74 71.18 0.25 4.29 -7.71 -1.48 3.39 -8.50 coo 12.03 20.33 71.56 10.48 19.25 70.56 -1.07 -12.13 0.13 -1.24 -14.06 1.00 coo 3.92 29.96 71.75 4.22 31.96 72.31 -0.05 2.05 -3.08 -1.62 2.78 -4.27 ULMN 3 1ehy_c02 SOLUBLE EPOXIDE HYDROLASE user 6 3 # 6 C 107 ASP B 107 ASP^? 18.02 O3 SO4 B 243 C 246 ASP B 162 ASP.? 11.47 O3 SO4 B 243 C 275 HIS B 106 HIS^? 13.01 O3 SO4 B 243 coo 1.90 35.26 72.76 3.20 35.74 71.18 -16.27 29.29 14.31 -16.58 30.52 12.63 coo 12.03 20.33 71.56 10.48 19.25 70.56 -2.91 38.69 12.19 -3.85 37.85 10.43 coo 3.92 29.96 71.75 4.22 31.96 72.31 -11.40 33.04 16.07 -11.74 35.05 16.56 ULMN 3 1ehy_c02 SOLUBLE EPOXIDE HYDROLASE user 7 3 # 7 C 107 ASP B 162 ASP.? 11.47 O3 SO4 B 243 C 246 ASP B 137 ASP.? 20.11 O4 SO4 B 243 C 275 HIS B 102 HIS^? 13.40 O3 SO4 B 243 coo 1.90 35.26 72.76 3.20 35.74 71.18 -2.91 38.69 12.19 -3.85 37.85 10.43 coo 12.03 20.33 71.56 10.48 19.25 70.56 7.58 33.13 -0.50 7.13 32.43 -2.48 coo 3.92 29.96 71.75 4.22 31.96 72.31 -4.13 35.26 6.99 -5.90 36.34 6.69 ULMN 3 1ehy_c02 SOLUBLE EPOXIDE HYDROLASE user 8 3 # 8 C 107 ASP B 162 ASP.? 11.47 O3 SO4 B 243 C 246 ASP B 199 ASP~? 23.68 O1 SO4 B 243 C 275 HIS B 102 HIS^? 13.40 O3 SO4 B 243 coo 1.90 35.26 72.76 3.20 35.74 71.18 -2.91 38.69 12.19 -3.85 37.85 10.43 coo 12.03 20.33 71.56 10.48 19.25 70.56 -3.04 28.39 -4.12 -2.88 29.28 -6.05 coo 3.92 29.96 71.75 4.22 31.96 72.31 -4.13 35.26 6.99 -5.90 36.34 6.69 1ehy_c02 source 1ehy SOLUBLE EPOXIDE HYDROLASE : 8 hits 1ehy_c02 naa= 3 ULMN 3 1ehy_c03 SOLUBLE EPOXIDE HYDROLASE user 1 3 # 1 D 107 ASP A 107 ASP^? 18.51 O1 SO4 A 243 D 246 ASP A 162 ASP.? 11.51 O1 SO4 A 243 D 275 HIS A 106 HIS^? 13.08 O1 SO4 A 243 coo 37.41 19.89 81.58 37.64 21.98 81.53 23.22 -6.70 -8.91 22.86 -8.00 -10.43 coo 23.50 26.43 88.52 24.76 26.47 90.29 14.78 -15.75 1.96 14.18 -15.13 0.01 coo 33.16 21.44 85.29 34.07 21.53 83.40 22.50 -10.50 -3.88 23.13 -12.51 -3.91 ULMN 3 1ehy_c03 SOLUBLE EPOXIDE HYDROLASE user 2 3 # 2 D 107 ASP A 162 ASP.? 11.51 O1 SO4 A 243 D 246 ASP A 138 ASP.? 20.83 O2 SO4 A 243 D 275 HIS A 102 HIS^? 13.43 O1 SO4 A 243 coo 37.41 19.89 81.58 37.64 21.98 81.53 14.78 -15.75 1.96 14.18 -15.13 0.01 coo 23.50 26.43 88.52 24.76 26.47 90.29 -1.07 -12.13 0.13 -1.24 -14.06 1.00 coo 33.16 21.44 85.29 34.07 21.53 83.40 10.89 -12.56 -1.72 11.39 -13.56 -3.50 ULMN 3 1ehy_c03 SOLUBLE EPOXIDE HYDROLASE user 3 3 # 3 D 107 ASP B 107 ASP^? 18.02 O3 SO4 B 243 D 246 ASP B 162 ASP.? 11.47 O3 SO4 B 243 D 275 HIS B 106 HIS^? 13.01 O3 SO4 B 243 coo 37.41 19.89 81.58 37.64 21.98 81.53 -16.27 29.29 14.31 -16.58 30.52 12.63 coo 23.50 26.43 88.52 24.76 26.47 90.29 -2.91 38.69 12.19 -3.85 37.85 10.43 coo 33.16 21.44 85.29 34.07 21.53 83.40 -11.40 33.04 16.07 -11.74 35.05 16.56 ULMN 3 1ehy_c03 SOLUBLE EPOXIDE HYDROLASE user 4 3 # 4 D 107 ASP B 162 ASP.? 11.47 O3 SO4 B 243 D 246 ASP B 138 ASP.? 20.16 O4 SO4 B 243 D 275 HIS B 102 HIS^? 13.40 O3 SO4 B 243 coo 37.41 19.89 81.58 37.64 21.98 81.53 -2.91 38.69 12.19 -3.85 37.85 10.43 coo 23.50 26.43 88.52 24.76 26.47 90.29 3.17 35.06 -2.07 1.06 35.64 -2.11 coo 33.16 21.44 85.29 34.07 21.53 83.40 -4.13 35.26 6.99 -5.90 36.34 6.69 1ehy_c03 source 1ehy SOLUBLE EPOXIDE HYDROLASE : 4 hits 1ehy_c03 naa= 3 ULMN 3 1elq_c02 L-CYSTEINE/L-CYSTINE C-S LYASE user 1 3 # 1 A 114 HIS A 180 HIS^? 16.73 O4 SO4 A 243 A 197 ASP A 218 ASP~? 20.27 O4 SO4 A 243 A 223 LYS A 118 LYS~? 14.73 O3 SO4 A 243 coo -61.07 -8.57 -27.49 -61.31 -7.57 -25.66 23.63 8.86 13.89 25.45 9.53 13.13 coo -56.76 -14.14 -29.82 -57.30 -12.99 -28.11 29.47 11.44 11.56 27.66 12.20 10.67 coo -56.15 -13.54 -16.74 -58.44 -10.91 -21.86 25.35 9.54 0.37 20.43 7.24 0.70 ULMN 3 1elq_c02 L-CYSTEINE/L-CYSTINE C-S LYASE user 2 3 # 2 A 114 HIS A 180 HIS^? 16.73 O4 SO4 A 243 A 197 ASP A 218 ASP~? 20.27 O4 SO4 A 243 A 223 LYS A 211 LYS^? 6.62 O3 SO4 A 243 coo -61.07 -8.57 -27.49 -61.31 -7.57 -25.66 23.63 8.86 13.89 25.45 9.53 13.13 coo -56.76 -14.14 -29.82 -57.30 -12.99 -28.11 29.47 11.44 11.56 27.66 12.20 10.67 coo -56.15 -13.54 -16.74 -58.44 -10.91 -21.86 17.59 6.59 4.81 17.28 1.50 8.69 ULMN 3 1elq_c02 L-CYSTEINE/L-CYSTINE C-S LYASE user 3 3 # 3 A 114 HIS B 180 HIS^? 17.04 O1 SO4 B 243 A 197 ASP B 218 ASP~? 20.31 O1 SO4 B 243 A 223 LYS B 118 LYS~? 15.88 O1 SO4 B 243 coo -61.07 -8.57 -27.49 -61.31 -7.57 -25.66 3.74 13.87 25.77 2.21 13.26 27.09 coo -56.76 -14.14 -29.82 -57.30 -12.99 -28.11 -1.00 11.19 29.58 -0.84 10.48 27.56 coo -56.15 -13.54 -16.74 -58.44 -10.91 -21.86 -8.85 13.11 20.72 -7.39 14.71 15.31 ULMN 3 1elq_c02 L-CYSTEINE/L-CYSTINE C-S LYASE user 4 3 # 4 A 114 HIS B 180 HIS^? 17.04 O1 SO4 B 243 A 197 ASP B 218 ASP~? 20.31 O1 SO4 B 243 A 223 LYS B 211 LYS^? 7.04 O1 SO4 B 243 coo -61.07 -8.57 -27.49 -61.31 -7.57 -25.66 3.74 13.87 25.77 2.21 13.26 27.09 coo -56.76 -14.14 -29.82 -57.30 -12.99 -28.11 -1.00 11.19 29.58 -0.84 10.48 27.56 coo -56.15 -13.54 -16.74 -58.44 -10.91 -21.86 -1.16 16.10 16.00 2.65 20.89 17.79 1elq_c02 source 1elq L-CYSTEINE/L-CYSTINE C-S LYASE : 4 hits 1elq_c02 naa= 3 ULMN 3 1elq_c03 L-CYSTEINE/L-CYSTINE C-S LYASE user 1 3 # 1 B 114 HIS A 180 HIS^? 16.73 O4 SO4 A 243 B 197 ASP A 218 ASP~? 20.27 O4 SO4 A 243 B 223 LYS A 118 LYS~? 14.73 O3 SO4 A 243 coo -32.28 6.89 -26.40 -32.14 5.42 -24.92 23.63 8.86 13.89 25.45 9.53 13.13 coo -36.60 12.85 -27.61 -36.03 11.43 -26.18 29.47 11.44 11.56 27.66 12.20 10.67 coo -37.05 10.01 -14.84 -34.42 8.53 -20.24 25.35 9.54 0.37 20.43 7.24 0.70 ULMN 3 1elq_c03 L-CYSTEINE/L-CYSTINE C-S LYASE user 2 3 # 2 B 114 HIS A 180 HIS^? 16.73 O4 SO4 A 243 B 197 ASP A 218 ASP~? 20.27 O4 SO4 A 243 B 223 LYS A 211 LYS^? 6.62 O3 SO4 A 243 coo -32.28 6.89 -26.40 -32.14 5.42 -24.92 23.63 8.86 13.89 25.45 9.53 13.13 coo -36.60 12.85 -27.61 -36.03 11.43 -26.18 29.47 11.44 11.56 27.66 12.20 10.67 coo -37.05 10.01 -14.84 -34.42 8.53 -20.24 17.59 6.59 4.81 17.28 1.50 8.69 ULMN 3 1elq_c03 L-CYSTEINE/L-CYSTINE C-S LYASE user 3 3 # 3 B 114 HIS B 180 HIS^? 17.04 O1 SO4 B 243 B 197 ASP B 218 ASP~? 20.31 O1 SO4 B 243 B 223 LYS B 118 LYS~? 15.88 O1 SO4 B 243 coo -32.28 6.89 -26.40 -32.14 5.42 -24.92 3.74 13.87 25.77 2.21 13.26 27.09 coo -36.60 12.85 -27.61 -36.03 11.43 -26.18 -1.00 11.19 29.58 -0.84 10.48 27.56 coo -37.05 10.01 -14.84 -34.42 8.53 -20.24 -8.85 13.11 20.72 -7.39 14.71 15.31 ULMN 3 1elq_c03 L-CYSTEINE/L-CYSTINE C-S LYASE user 4 3 # 4 B 114 HIS B 180 HIS^? 17.04 O1 SO4 B 243 B 197 ASP B 218 ASP~? 20.31 O1 SO4 B 243 B 223 LYS B 211 LYS^? 7.04 O1 SO4 B 243 coo -32.28 6.89 -26.40 -32.14 5.42 -24.92 3.74 13.87 25.77 2.21 13.26 27.09 coo -36.60 12.85 -27.61 -36.03 11.43 -26.18 -1.00 11.19 29.58 -0.84 10.48 27.56 coo -37.05 10.01 -14.84 -34.42 8.53 -20.24 -1.16 16.10 16.00 2.65 20.89 17.79 1elq_c03 source 1elq L-CYSTEINE/L-CYSTINE C-S LYASE : 4 hits 1elq_c03 naa= 3 ULMN 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 1 3 # 1 A 229 ALA A 116 ALA~? 22.19 O3 SO4 A 243 A 257 ALA A 111 ALA.? 20.30 O3 SO4 A 243 A 328 ASP A 151 ASP.? 21.86 O1 SO4 A 243 coo 39.84 24.12 8.44 38.50 24.23 9.11 28.31 7.69 -3.90 29.34 7.81 -5.07 coo 43.22 26.73 5.37 41.81 27.09 5.79 27.76 3.48 -7.30 28.50 3.97 -5.96 coo 38.17 34.10 6.67 37.72 32.06 6.84 35.47 -0.09 -0.47 36.15 -0.37 -2.56 ULMN 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 2 3 # 2 A 229 ALA A 205 ALA^? 24.68 O3 SO4 A 243 A 257 ALA A 190 ALA.? 22.76 O3 SO4 A 243 A 328 ASP A 201 ASP.? 28.67 O3 SO4 A 243 coo 39.84 24.12 8.44 38.50 24.23 9.11 1.77 7.85 -5.50 0.81 8.85 -4.71 coo 43.22 26.73 5.37 41.81 27.09 5.79 5.58 4.36 -9.42 4.38 3.38 -9.16 coo 38.17 34.10 6.67 37.72 32.06 6.84 -1.72 1.66 -11.39 -3.36 0.47 -11.68 ULMN 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 3 3 # 3 A 229 ALA B 116 ALA~? 21.87 O1 SO4 B 243 A 257 ALA B 111 ALA.? 20.09 O1 SO4 B 243 A 328 ASP B 151 ASP.? 21.97 O3 SO4 B 243 coo 39.84 24.12 8.44 38.50 24.23 9.11 -14.10 14.96 21.33 -15.63 14.81 21.55 coo 43.22 26.73 5.37 41.81 27.09 5.79 -16.83 19.12 19.18 -16.15 18.62 20.45 coo 38.17 34.10 6.67 37.72 32.06 6.84 -14.61 22.77 29.21 -16.72 23.04 28.78 ULMN 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 4 3 # 4 A 229 ALA B 205 ALA^? 25.02 O1 SO4 B 243 A 257 ALA B 190 ALA.? 22.71 O1 SO4 B 243 A 328 ASP B 201 ASP.? 28.94 O1 SO4 B 243 coo 39.84 24.12 8.44 38.50 24.23 9.11 -2.77 14.78 -2.82 -1.68 13.76 -3.29 coo 43.22 26.73 5.37 41.81 27.09 5.79 -8.03 18.28 -1.32 -7.18 19.41 -2.08 coo 38.17 34.10 6.67 37.72 32.06 6.84 -6.53 20.97 -8.85 -5.67 22.23 -10.32 1eo7_c00 source 1eo7 CYCLODEXTRIN GLYCOSYLTRANSFERASE : 4 hits 1eo7_c00 naa= 3 ULMN 3 1eq2_c00 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 1 3 # 1 A 116 SER A 105 SER^? 14.75 O1 SO4 A 243 A 140 TYR A 197 TYR~? 17.30 O1 SO4 A 243 A 144 LYS A 131 LYS^? 17.03 O1 SO4 A 243 coo 34.67 35.79 48.83 33.57 37.88 49.47 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo 29.60 38.99 53.89 30.10 37.88 51.36 9.27 -5.67 -7.32 11.22 -6.86 -8.96 coo 32.73 32.94 54.42 29.29 32.83 50.35 16.33 -5.43 -3.31 16.51 -3.10 -9.13 ULMN 3 1eq2_c00 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 2 3 # 2 A 116 SER A 224 SER^? 7.40 O3 SO4 A 243 A 140 TYR A 222 TYR^? 7.75 O4 SO4 A 243 A 144 LYS A 211 LYS^? 6.62 O3 SO4 A 243 coo 34.67 35.79 48.83 33.57 37.88 49.47 18.13 2.56 1.79 18.41 0.79 3.71 coo 29.60 38.99 53.89 30.10 37.88 51.36 23.05 0.50 5.53 21.22 0.35 7.67 coo 32.73 32.94 54.42 29.29 32.83 50.35 17.59 6.59 4.81 17.28 1.50 8.69 ULMN 3 1eq2_c00 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 3 3 # 3 A 116 SER B 105 SER^? 14.66 O3 SO4 B 243 A 140 TYR B 197 TYR~? 17.25 O3 SO4 B 243 A 144 LYS B 131 LYS^? 17.11 O1 SO4 B 243 coo 34.67 35.79 48.83 33.57 37.88 49.47 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 29.60 38.99 53.89 30.10 37.88 51.36 -8.04 28.46 2.86 -10.26 29.82 3.98 coo 32.73 32.94 54.42 29.29 32.83 50.35 -7.93 28.07 10.94 -13.10 25.67 8.39 ULMN 3 1eq2_c00 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 4 3 # 4 A 116 SER B 224 SER^? 7.35 O1 SO4 B 243 A 140 TYR B 222 TYR^? 7.39 O1 SO4 B 243 A 144 LYS B 211 LYS^? 7.04 O1 SO4 B 243 coo 34.67 35.79 48.83 33.57 37.88 49.47 -4.24 20.16 15.05 -2.83 21.89 16.14 coo 29.60 38.99 53.89 30.10 37.88 51.36 -3.31 22.23 21.14 -0.55 22.44 20.59 coo 32.73 32.94 54.42 29.29 32.83 50.35 -1.16 16.10 16.00 2.65 20.89 17.79 1eq2_c00 source 1eq2 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMERASE : 4 hits 1eq2_c00 naa= 3 ULMN 3 1eq2_c01 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 1 3 # 1 B 116 SER A 105 SER^? 14.75 O1 SO4 A 243 B 140 TYR A 197 TYR~? 17.30 O1 SO4 A 243 B 144 LYS A 131 LYS^? 17.03 O1 SO4 A 243 coo 30.90 35.65 89.60 29.85 37.72 88.83 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo 24.43 38.83 86.53 27.07 38.03 86.12 9.27 -5.67 -7.32 11.22 -6.86 -8.96 coo 25.13 32.62 89.49 27.74 32.61 84.91 16.33 -5.43 -3.31 16.51 -3.10 -9.13 ULMN 3 1eq2_c01 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 2 3 # 2 B 116 SER A 224 SER^? 7.40 O3 SO4 A 243 B 140 TYR A 222 TYR^? 7.75 O4 SO4 A 243 B 144 LYS A 211 LYS^? 6.62 O3 SO4 A 243 coo 30.90 35.65 89.60 29.85 37.72 88.83 18.13 2.56 1.79 18.41 0.79 3.71 coo 24.43 38.83 86.53 27.07 38.03 86.12 23.05 0.50 5.53 21.22 0.35 7.67 coo 25.13 32.62 89.49 27.74 32.61 84.91 17.59 6.59 4.81 17.28 1.50 8.69 ULMN 3 1eq2_c01 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 3 3 # 3 B 116 SER B 105 SER^? 14.66 O3 SO4 B 243 B 140 TYR B 197 TYR~? 17.25 O3 SO4 B 243 B 144 LYS B 131 LYS^? 17.11 O1 SO4 B 243 coo 30.90 35.65 89.60 29.85 37.72 88.83 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 24.43 38.83 86.53 27.07 38.03 86.12 -8.04 28.46 2.86 -10.26 29.82 3.98 coo 25.13 32.62 89.49 27.74 32.61 84.91 -7.93 28.07 10.94 -13.10 25.67 8.39 ULMN 3 1eq2_c01 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 4 3 # 4 B 116 SER B 224 SER^? 7.35 O1 SO4 B 243 B 140 TYR B 222 TYR^? 7.39 O1 SO4 B 243 B 144 LYS B 211 LYS^? 7.04 O1 SO4 B 243 coo 30.90 35.65 89.60 29.85 37.72 88.83 -4.24 20.16 15.05 -2.83 21.89 16.14 coo 24.43 38.83 86.53 27.07 38.03 86.12 -3.31 22.23 21.14 -0.55 22.44 20.59 coo 25.13 32.62 89.49 27.74 32.61 84.91 -1.16 16.10 16.00 2.65 20.89 17.79 1eq2_c01 source 1eq2 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMERASE : 4 hits 1eq2_c01 naa= 3 ULMN 3 1eq2_c02 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 1 3 # 1 C 116 SER A 105 SER^? 14.75 O1 SO4 A 243 C 140 TYR A 197 TYR~? 17.30 O1 SO4 A 243 C 144 LYS A 131 LYS^? 17.03 O1 SO4 A 243 coo -8.96 33.70 98.81 -8.96 35.77 97.56 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo -8.28 37.01 91.79 -6.99 36.16 94.13 9.27 -5.67 -7.32 11.22 -6.86 -8.96 coo -10.48 30.66 93.19 -5.27 31.07 94.32 16.33 -5.43 -3.31 16.51 -3.10 -9.13 ULMN 3 1eq2_c02 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 2 3 # 2 C 116 SER A 224 SER^? 7.40 O3 SO4 A 243 C 140 TYR A 222 TYR^? 7.75 O4 SO4 A 243 C 144 LYS A 211 LYS^? 6.62 O3 SO4 A 243 coo -8.96 33.70 98.81 -8.96 35.77 97.56 18.13 2.56 1.79 18.41 0.79 3.71 coo -8.28 37.01 91.79 -6.99 36.16 94.13 23.05 0.50 5.53 21.22 0.35 7.67 coo -10.48 30.66 93.19 -5.27 31.07 94.32 17.59 6.59 4.81 17.28 1.50 8.69 ULMN 3 1eq2_c02 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 3 3 # 3 C 116 SER B 105 SER^? 14.66 O3 SO4 B 243 C 140 TYR B 197 TYR~? 17.25 O3 SO4 B 243 C 144 LYS B 131 LYS^? 17.11 O1 SO4 B 243 coo -8.96 33.70 98.81 -8.96 35.77 97.56 -11.13 32.24 11.11 -11.87 30.19 10.06 coo -8.28 37.01 91.79 -6.99 36.16 94.13 -8.04 28.46 2.86 -10.26 29.82 3.98 coo -10.48 30.66 93.19 -5.27 31.07 94.32 -7.93 28.07 10.94 -13.10 25.67 8.39 ULMN 3 1eq2_c02 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 4 3 # 4 C 116 SER B 224 SER^? 7.35 O1 SO4 B 243 C 140 TYR B 222 TYR^? 7.39 O1 SO4 B 243 C 144 LYS B 211 LYS^? 7.04 O1 SO4 B 243 coo -8.96 33.70 98.81 -8.96 35.77 97.56 -4.24 20.16 15.05 -2.83 21.89 16.14 coo -8.28 37.01 91.79 -6.99 36.16 94.13 -3.31 22.23 21.14 -0.55 22.44 20.59 coo -10.48 30.66 93.19 -5.27 31.07 94.32 -1.16 16.10 16.00 2.65 20.89 17.79 1eq2_c02 source 1eq2 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMERASE : 4 hits 1eq2_c02 naa= 3 ULMN 3 1eq2_c03 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 1 3 # 1 D 116 SER A 105 SER^? 14.75 O1 SO4 A 243 D 140 TYR A 197 TYR~? 17.30 O1 SO4 A 243 D 144 LYS A 131 LYS^? 17.03 O1 SO4 A 243 coo -29.80 31.30 63.54 -28.79 33.52 63.37 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo -23.30 35.33 62.20 -25.10 34.24 64.06 9.27 -5.67 -7.32 11.22 -6.86 -8.96 coo -24.76 28.82 60.31 -24.27 29.01 65.58 16.33 -5.43 -3.31 16.51 -3.10 -9.13 ULMN 3 1eq2_c03 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 2 3 # 2 D 116 SER A 224 SER^? 7.40 O3 SO4 A 243 D 140 TYR A 222 TYR^? 7.75 O4 SO4 A 243 D 144 LYS A 211 LYS^? 6.62 O3 SO4 A 243 coo -29.80 31.30 63.54 -28.79 33.52 63.37 18.13 2.56 1.79 18.41 0.79 3.71 coo -23.30 35.33 62.20 -25.10 34.24 64.06 23.05 0.50 5.53 21.22 0.35 7.67 coo -24.76 28.82 60.31 -24.27 29.01 65.58 17.59 6.59 4.81 17.28 1.50 8.69 ULMN 3 1eq2_c03 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 3 3 # 3 D 116 SER B 105 SER^? 14.66 O3 SO4 B 243 D 140 TYR B 197 TYR~? 17.25 O3 SO4 B 243 D 144 LYS B 131 LYS^? 17.11 O1 SO4 B 243 coo -29.80 31.30 63.54 -28.79 33.52 63.37 -11.13 32.24 11.11 -11.87 30.19 10.06 coo -23.30 35.33 62.20 -25.10 34.24 64.06 -8.04 28.46 2.86 -10.26 29.82 3.98 coo -24.76 28.82 60.31 -24.27 29.01 65.58 -7.93 28.07 10.94 -13.10 25.67 8.39 ULMN 3 1eq2_c03 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 4 3 # 4 D 116 SER B 224 SER^? 7.35 O1 SO4 B 243 D 140 TYR B 222 TYR^? 7.39 O1 SO4 B 243 D 144 LYS B 211 LYS^? 7.04 O1 SO4 B 243 coo -29.80 31.30 63.54 -28.79 33.52 63.37 -4.24 20.16 15.05 -2.83 21.89 16.14 coo -23.30 35.33 62.20 -25.10 34.24 64.06 -3.31 22.23 21.14 -0.55 22.44 20.59 coo -24.76 28.82 60.31 -24.27 29.01 65.58 -1.16 16.10 16.00 2.65 20.89 17.79 1eq2_c03 source 1eq2 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMERASE : 4 hits 1eq2_c03 naa= 3 ULMN 3 1eq2_c04 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 1 3 # 1 E 116 SER A 105 SER^? 14.75 O1 SO4 A 243 E 140 TYR A 197 TYR~? 17.30 O1 SO4 A 243 E 144 LYS A 131 LYS^? 17.03 O1 SO4 A 243 coo -3.01 32.72 32.71 -2.80 34.91 33.79 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo 0.04 36.70 38.68 -2.21 35.46 37.50 9.27 -5.67 -7.32 11.22 -6.86 -8.96 coo 1.93 30.52 36.31 -2.84 30.18 38.54 16.33 -5.43 -3.31 16.51 -3.10 -9.13 ULMN 3 1eq2_c04 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 2 3 # 2 E 116 SER A 224 SER^? 7.40 O3 SO4 A 243 E 140 TYR A 222 TYR^? 7.75 O4 SO4 A 243 E 144 LYS A 211 LYS^? 6.62 O3 SO4 A 243 coo -3.01 32.72 32.71 -2.80 34.91 33.79 18.13 2.56 1.79 18.41 0.79 3.71 coo 0.04 36.70 38.68 -2.21 35.46 37.50 23.05 0.50 5.53 21.22 0.35 7.67 coo 1.93 30.52 36.31 -2.84 30.18 38.54 17.59 6.59 4.81 17.28 1.50 8.69 ULMN 3 1eq2_c04 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 3 3 # 3 E 116 SER B 105 SER^? 14.66 O3 SO4 B 243 E 140 TYR B 197 TYR~? 17.25 O3 SO4 B 243 E 144 LYS B 131 LYS^? 17.11 O1 SO4 B 243 coo -3.01 32.72 32.71 -2.80 34.91 33.79 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 0.04 36.70 38.68 -2.21 35.46 37.50 -8.04 28.46 2.86 -10.26 29.82 3.98 coo 1.93 30.52 36.31 -2.84 30.18 38.54 -7.93 28.07 10.94 -13.10 25.67 8.39 ULMN 3 1eq2_c04 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 4 3 # 4 E 116 SER B 224 SER^? 7.35 O1 SO4 B 243 E 140 TYR B 222 TYR^? 7.39 O1 SO4 B 243 E 144 LYS B 211 LYS^? 7.04 O1 SO4 B 243 coo -3.01 32.72 32.71 -2.80 34.91 33.79 -4.24 20.16 15.05 -2.83 21.89 16.14 coo 0.04 36.70 38.68 -2.21 35.46 37.50 -3.31 22.23 21.14 -0.55 22.44 20.59 coo 1.93 30.52 36.31 -2.84 30.18 38.54 -1.16 16.10 16.00 2.65 20.89 17.79 1eq2_c04 source 1eq2 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMERASE : 4 hits 1eq2_c04 naa= 3 ULMN 3 1eq2_c05 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 1 3 # 1 F 116 SER A 105 SER^? 14.75 O1 SO4 A 243 F 140 TYR A 197 TYR~? 17.30 O1 SO4 A 243 F 144 LYS A 131 LYS^? 17.03 O1 SO4 A 243 coo 55.30 92.46 56.72 55.15 90.39 55.38 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo 54.49 89.31 49.65 53.35 90.16 52.06 9.27 -5.67 -7.32 11.22 -6.86 -8.96 coo 56.78 95.62 51.15 51.59 95.31 52.37 16.33 -5.43 -3.31 16.51 -3.10 -9.13 ULMN 3 1eq2_c05 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 2 3 # 2 F 116 SER A 224 SER^? 7.40 O3 SO4 A 243 F 140 TYR A 222 TYR^? 7.75 O4 SO4 A 243 F 144 LYS A 211 LYS^? 6.62 O3 SO4 A 243 coo 55.30 92.46 56.72 55.15 90.39 55.38 18.13 2.56 1.79 18.41 0.79 3.71 coo 54.49 89.31 49.65 53.35 90.16 52.06 23.05 0.50 5.53 21.22 0.35 7.67 coo 56.78 95.62 51.15 51.59 95.31 52.37 17.59 6.59 4.81 17.28 1.50 8.69 ULMN 3 1eq2_c05 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 3 3 # 3 F 116 SER B 105 SER^? 14.66 O3 SO4 B 243 F 140 TYR B 197 TYR~? 17.25 O3 SO4 B 243 F 144 LYS B 131 LYS^? 17.11 O1 SO4 B 243 coo 55.30 92.46 56.72 55.15 90.39 55.38 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 54.49 89.31 49.65 53.35 90.16 52.06 -8.04 28.46 2.86 -10.26 29.82 3.98 coo 56.78 95.62 51.15 51.59 95.31 52.37 -7.93 28.07 10.94 -13.10 25.67 8.39 ULMN 3 1eq2_c05 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 4 3 # 4 F 116 SER B 224 SER^? 7.35 O1 SO4 B 243 F 140 TYR B 222 TYR^? 7.39 O1 SO4 B 243 F 144 LYS B 211 LYS^? 7.04 O1 SO4 B 243 coo 55.30 92.46 56.72 55.15 90.39 55.38 -4.24 20.16 15.05 -2.83 21.89 16.14 coo 54.49 89.31 49.65 53.35 90.16 52.06 -3.31 22.23 21.14 -0.55 22.44 20.59 coo 56.78 95.62 51.15 51.59 95.31 52.37 -1.16 16.10 16.00 2.65 20.89 17.79 1eq2_c05 source 1eq2 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMERASE : 4 hits 1eq2_c05 naa= 3 ULMN 3 1eq2_c06 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 1 3 # 1 G 116 SER A 105 SER^? 14.75 O1 SO4 A 243 G 140 TYR A 197 TYR~? 17.30 O1 SO4 A 243 G 144 LYS A 131 LYS^? 17.03 O1 SO4 A 243 coo 76.25 95.63 21.56 75.29 93.40 21.36 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo 69.78 91.62 20.06 71.51 92.68 22.02 9.27 -5.67 -7.32 11.22 -6.86 -8.96 coo 71.19 98.21 18.32 70.69 97.75 23.67 16.33 -5.43 -3.31 16.51 -3.10 -9.13 ULMN 3 1eq2_c06 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 2 3 # 2 G 116 SER A 224 SER^? 7.40 O3 SO4 A 243 G 140 TYR A 222 TYR^? 7.75 O4 SO4 A 243 G 144 LYS A 211 LYS^? 6.62 O3 SO4 A 243 coo 76.25 95.63 21.56 75.29 93.40 21.36 18.13 2.56 1.79 18.41 0.79 3.71 coo 69.78 91.62 20.06 71.51 92.68 22.02 23.05 0.50 5.53 21.22 0.35 7.67 coo 71.19 98.21 18.32 70.69 97.75 23.67 17.59 6.59 4.81 17.28 1.50 8.69 ULMN 3 1eq2_c06 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 3 3 # 3 G 116 SER B 105 SER^? 14.66 O3 SO4 B 243 G 140 TYR B 197 TYR~? 17.25 O3 SO4 B 243 G 144 LYS B 131 LYS^? 17.11 O1 SO4 B 243 coo 76.25 95.63 21.56 75.29 93.40 21.36 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 69.78 91.62 20.06 71.51 92.68 22.02 -8.04 28.46 2.86 -10.26 29.82 3.98 coo 71.19 98.21 18.32 70.69 97.75 23.67 -7.93 28.07 10.94 -13.10 25.67 8.39 ULMN 3 1eq2_c06 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 4 3 # 4 G 116 SER B 224 SER^? 7.35 O1 SO4 B 243 G 140 TYR B 222 TYR^? 7.39 O1 SO4 B 243 G 144 LYS B 211 LYS^? 7.04 O1 SO4 B 243 coo 76.25 95.63 21.56 75.29 93.40 21.36 -4.24 20.16 15.05 -2.83 21.89 16.14 coo 69.78 91.62 20.06 71.51 92.68 22.02 -3.31 22.23 21.14 -0.55 22.44 20.59 coo 71.19 98.21 18.32 70.69 97.75 23.67 -1.16 16.10 16.00 2.65 20.89 17.79 1eq2_c06 source 1eq2 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMERASE : 4 hits 1eq2_c06 naa= 3 ULMN 3 1eq2_c07 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 1 3 # 1 H 116 SER A 105 SER^? 14.75 O1 SO4 A 243 H 140 TYR A 197 TYR~? 17.30 O1 SO4 A 243 H 144 LYS A 131 LYS^? 17.03 O1 SO4 A 243 coo 15.45 90.62 47.70 16.55 88.57 46.97 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo 21.92 87.58 44.67 19.30 88.41 44.23 9.27 -5.67 -7.32 11.22 -6.86 -8.96 coo 21.26 93.70 47.67 18.47 93.68 43.08 16.33 -5.43 -3.31 16.51 -3.10 -9.13 ULMN 3 1eq2_c07 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 2 3 # 2 H 116 SER A 224 SER^? 7.40 O3 SO4 A 243 H 140 TYR A 222 TYR^? 7.75 O4 SO4 A 243 H 144 LYS A 211 LYS^? 6.62 O3 SO4 A 243 coo 15.45 90.62 47.70 16.55 88.57 46.97 18.13 2.56 1.79 18.41 0.79 3.71 coo 21.92 87.58 44.67 19.30 88.41 44.23 23.05 0.50 5.53 21.22 0.35 7.67 coo 21.26 93.70 47.67 18.47 93.68 43.08 17.59 6.59 4.81 17.28 1.50 8.69 ULMN 3 1eq2_c07 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 3 3 # 3 H 116 SER B 105 SER^? 14.66 O3 SO4 B 243 H 140 TYR B 197 TYR~? 17.25 O3 SO4 B 243 H 144 LYS B 131 LYS^? 17.11 O1 SO4 B 243 coo 15.45 90.62 47.70 16.55 88.57 46.97 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 21.92 87.58 44.67 19.30 88.41 44.23 -8.04 28.46 2.86 -10.26 29.82 3.98 coo 21.26 93.70 47.67 18.47 93.68 43.08 -7.93 28.07 10.94 -13.10 25.67 8.39 ULMN 3 1eq2_c07 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 4 3 # 4 H 116 SER B 224 SER^? 7.35 O1 SO4 B 243 H 140 TYR B 222 TYR^? 7.39 O1 SO4 B 243 H 144 LYS B 211 LYS^? 7.04 O1 SO4 B 243 coo 15.45 90.62 47.70 16.55 88.57 46.97 -4.24 20.16 15.05 -2.83 21.89 16.14 coo 21.92 87.58 44.67 19.30 88.41 44.23 -3.31 22.23 21.14 -0.55 22.44 20.59 coo 21.26 93.70 47.67 18.47 93.68 43.08 -1.16 16.10 16.00 2.65 20.89 17.79 1eq2_c07 source 1eq2 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMERASE : 4 hits 1eq2_c07 naa= 3 ULMN 3 1eq2_c08 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 1 3 # 1 I 116 SER A 105 SER^? 14.75 O1 SO4 A 243 I 140 TYR A 197 TYR~? 17.30 O1 SO4 A 243 I 144 LYS A 131 LYS^? 17.03 O1 SO4 A 243 coo 11.78 90.82 7.18 12.84 88.72 7.93 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo 16.78 87.76 12.19 16.39 88.69 9.59 9.27 -5.67 -7.32 11.22 -6.86 -8.96 coo 13.67 93.83 12.65 17.08 93.94 8.58 16.33 -5.43 -3.31 16.51 -3.10 -9.13 ULMN 3 1eq2_c08 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 2 3 # 2 I 116 SER A 224 SER^? 7.40 O3 SO4 A 243 I 140 TYR A 222 TYR^? 7.75 O4 SO4 A 243 I 144 LYS A 211 LYS^? 6.62 O3 SO4 A 243 coo 11.78 90.82 7.18 12.84 88.72 7.93 18.13 2.56 1.79 18.41 0.79 3.71 coo 16.78 87.76 12.19 16.39 88.69 9.59 23.05 0.50 5.53 21.22 0.35 7.67 coo 13.67 93.83 12.65 17.08 93.94 8.58 17.59 6.59 4.81 17.28 1.50 8.69 ULMN 3 1eq2_c08 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 3 3 # 3 I 116 SER B 105 SER^? 14.66 O3 SO4 B 243 I 140 TYR B 197 TYR~? 17.25 O3 SO4 B 243 I 144 LYS B 131 LYS^? 17.11 O1 SO4 B 243 coo 11.78 90.82 7.18 12.84 88.72 7.93 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 16.78 87.76 12.19 16.39 88.69 9.59 -8.04 28.46 2.86 -10.26 29.82 3.98 coo 13.67 93.83 12.65 17.08 93.94 8.58 -7.93 28.07 10.94 -13.10 25.67 8.39 ULMN 3 1eq2_c08 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 4 3 # 4 I 116 SER B 224 SER^? 7.35 O1 SO4 B 243 I 140 TYR B 222 TYR^? 7.39 O1 SO4 B 243 I 144 LYS B 211 LYS^? 7.04 O1 SO4 B 243 coo 11.78 90.82 7.18 12.84 88.72 7.93 -4.24 20.16 15.05 -2.83 21.89 16.14 coo 16.78 87.76 12.19 16.39 88.69 9.59 -3.31 22.23 21.14 -0.55 22.44 20.59 coo 13.67 93.83 12.65 17.08 93.94 8.58 -1.16 16.10 16.00 2.65 20.89 17.79 1eq2_c08 source 1eq2 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMERASE : 4 hits 1eq2_c08 naa= 3 ULMN 3 1eq2_c09 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 1 3 # 1 J 116 SER A 105 SER^? 14.75 O1 SO4 A 243 J 140 TYR A 197 TYR~? 17.30 O1 SO4 A 243 J 144 LYS A 131 LYS^? 17.03 O1 SO4 A 243 coo 49.46 93.97 -9.19 49.31 91.82 -8.04 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo 46.51 90.06 -3.08 48.69 91.36 -4.30 9.27 -5.67 -7.32 11.22 -6.86 -8.96 coo 44.49 96.17 -5.53 49.37 96.61 -3.37 16.33 -5.43 -3.31 16.51 -3.10 -9.13 ULMN 3 1eq2_c09 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 2 3 # 2 J 116 SER A 224 SER^? 7.40 O3 SO4 A 243 J 140 TYR A 222 TYR^? 7.75 O4 SO4 A 243 J 144 LYS A 211 LYS^? 6.62 O3 SO4 A 243 coo 49.46 93.97 -9.19 49.31 91.82 -8.04 18.13 2.56 1.79 18.41 0.79 3.71 coo 46.51 90.06 -3.08 48.69 91.36 -4.30 23.05 0.50 5.53 21.22 0.35 7.67 coo 44.49 96.17 -5.53 49.37 96.61 -3.37 17.59 6.59 4.81 17.28 1.50 8.69 ULMN 3 1eq2_c09 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 3 3 # 3 J 116 SER B 105 SER^? 14.66 O3 SO4 B 243 J 140 TYR B 197 TYR~? 17.25 O3 SO4 B 243 J 144 LYS B 131 LYS^? 17.11 O1 SO4 B 243 coo 49.46 93.97 -9.19 49.31 91.82 -8.04 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 46.51 90.06 -3.08 48.69 91.36 -4.30 -8.04 28.46 2.86 -10.26 29.82 3.98 coo 44.49 96.17 -5.53 49.37 96.61 -3.37 -7.93 28.07 10.94 -13.10 25.67 8.39 ULMN 3 1eq2_c09 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 4 3 # 4 J 116 SER B 224 SER^? 7.35 O1 SO4 B 243 J 140 TYR B 222 TYR^? 7.39 O1 SO4 B 243 J 144 LYS B 211 LYS^? 7.04 O1 SO4 B 243 coo 49.46 93.97 -9.19 49.31 91.82 -8.04 -4.24 20.16 15.05 -2.83 21.89 16.14 coo 46.51 90.06 -3.08 48.69 91.36 -4.30 -3.31 22.23 21.14 -0.55 22.44 20.59 coo 44.49 96.17 -5.53 49.37 96.61 -3.37 -1.16 16.10 16.00 2.65 20.89 17.79 1eq2_c09 source 1eq2 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMERASE : 4 hits 1eq2_c09 naa= 3 ULMN 3 1euu_c00 SIALIDASE user 1 3 # 1 92 ASP A 210 ASP^? 16.17 O3 SO4 A 243 260 GLU A 144 GLU^? 5.14 O3 SO4 A 243 370 TYR A 222 TYR^? 7.75 O4 SO4 A 243 coo 8.60 -17.93 28.38 7.67 -19.04 26.88 15.65 9.10 1.05 17.66 9.20 0.39 coo 0.12 -12.06 25.14 1.33 -13.03 23.72 15.10 -1.99 1.69 15.82 -3.30 3.21 coo 4.66 -12.77 19.52 3.70 -14.16 21.71 23.05 0.50 5.53 21.22 0.35 7.67 ULMN 3 1euu_c00 SIALIDASE user 2 3 # 2 92 ASP B 210 ASP^? 16.02 O1 SO4 B 243 260 GLU B 144 GLU^? 5.26 O1 SO4 B 243 370 TYR B 222 TYR^? 7.39 O1 SO4 B 243 coo 8.60 -17.93 28.38 7.67 -19.04 26.88 -3.61 13.59 12.62 -5.22 13.58 13.96 coo 0.12 -12.06 25.14 1.33 -13.03 23.72 -2.94 24.68 12.26 -2.09 26.04 13.69 coo 4.66 -12.77 19.52 3.70 -14.16 21.71 -3.31 22.23 21.14 -0.55 22.44 20.59 1euu_c00 source 1euu SIALIDASE : 2 hits 1euu_c00 naa= 3 ULMN 3 1ez2_c00 PHOSPHOTRIESTERASE user 1 3 # 1 A 233 ASP A 107 ASP^? 18.51 O1 SO4 A 243 A 254 HIS A 106 HIS^? 13.08 O1 SO4 A 243 A 301 ASP A 157 ASP~? 15.53 O1 SO4 A 243 coo 54.85 -0.50 33.94 53.35 -1.92 34.23 23.22 -6.70 -8.91 22.86 -8.00 -10.43 coo 49.60 -2.04 34.84 49.44 -3.48 33.35 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo 45.28 -3.05 33.32 45.60 -4.40 31.72 27.16 -9.86 -2.28 29.16 -10.33 -2.80 ULMN 3 1ez2_c00 PHOSPHOTRIESTERASE user 2 3 # 2 A 233 ASP A 157 ASP~? 15.53 O1 SO4 A 243 A 254 HIS A 106 HIS^? 13.08 O1 SO4 A 243 A 301 ASP A 107 ASP^? 18.51 O1 SO4 A 243 coo 54.85 -0.50 33.94 53.35 -1.92 34.23 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo 49.60 -2.04 34.84 49.44 -3.48 33.35 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo 45.28 -3.05 33.32 45.60 -4.40 31.72 23.22 -6.70 -8.91 22.86 -8.00 -10.43 ULMN 3 1ez2_c00 PHOSPHOTRIESTERASE user 3 3 # 3 A 233 ASP B 107 ASP^? 18.02 O3 SO4 B 243 A 254 HIS B 106 HIS^? 13.01 O3 SO4 B 243 A 301 ASP B 157 ASP~? 15.61 O3 SO4 B 243 coo 54.85 -0.50 33.94 53.35 -1.92 34.23 -16.27 29.29 14.31 -16.58 30.52 12.63 coo 49.60 -2.04 34.84 49.44 -3.48 33.35 -11.40 33.04 16.07 -11.74 35.05 16.56 coo 45.28 -3.05 33.32 45.60 -4.40 31.72 -12.32 32.41 21.01 -13.75 33.02 22.44 ULMN 3 1ez2_c00 PHOSPHOTRIESTERASE user 4 3 # 4 A 233 ASP B 157 ASP~? 15.61 O3 SO4 B 243 A 254 HIS B 106 HIS^? 13.01 O3 SO4 B 243 A 301 ASP B 107 ASP^? 18.02 O3 SO4 B 243 coo 54.85 -0.50 33.94 53.35 -1.92 34.23 -12.32 32.41 21.01 -13.75 33.02 22.44 coo 49.60 -2.04 34.84 49.44 -3.48 33.35 -11.40 33.04 16.07 -11.74 35.05 16.56 coo 45.28 -3.05 33.32 45.60 -4.40 31.72 -16.27 29.29 14.31 -16.58 30.52 12.63 1ez2_c00 source 1ez2 PHOSPHOTRIESTERASE : 4 hits 1ez2_c00 naa= 3 ULMN 3 1ez2_c01 PHOSPHOTRIESTERASE user 1 3 # 1 B 233 ASP A 107 ASP^? 18.51 O1 SO4 A 243 B 254 HIS A 106 HIS^? 13.08 O1 SO4 A 243 B 301 ASP A 157 ASP~? 15.53 O1 SO4 A 243 coo 56.25 -34.15 2.23 54.65 -32.85 1.82 23.22 -6.70 -8.91 22.86 -8.00 -10.43 coo 50.90 -32.78 1.00 50.77 -31.41 2.56 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo 46.50 -31.79 2.21 46.79 -30.43 3.83 27.16 -9.86 -2.28 29.16 -10.33 -2.80 ULMN 3 1ez2_c01 PHOSPHOTRIESTERASE user 2 3 # 2 B 233 ASP A 157 ASP~? 15.53 O1 SO4 A 243 B 254 HIS A 106 HIS^? 13.08 O1 SO4 A 243 B 301 ASP A 107 ASP^? 18.51 O1 SO4 A 243 coo 56.25 -34.15 2.23 54.65 -32.85 1.82 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo 50.90 -32.78 1.00 50.77 -31.41 2.56 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo 46.50 -31.79 2.21 46.79 -30.43 3.83 23.22 -6.70 -8.91 22.86 -8.00 -10.43 ULMN 3 1ez2_c01 PHOSPHOTRIESTERASE user 3 3 # 3 B 233 ASP B 107 ASP^? 18.02 O3 SO4 B 243 B 254 HIS B 106 HIS^? 13.01 O3 SO4 B 243 B 301 ASP B 157 ASP~? 15.61 O3 SO4 B 243 coo 56.25 -34.15 2.23 54.65 -32.85 1.82 -16.27 29.29 14.31 -16.58 30.52 12.63 coo 50.90 -32.78 1.00 50.77 -31.41 2.56 -11.40 33.04 16.07 -11.74 35.05 16.56 coo 46.50 -31.79 2.21 46.79 -30.43 3.83 -12.32 32.41 21.01 -13.75 33.02 22.44 ULMN 3 1ez2_c01 PHOSPHOTRIESTERASE user 4 3 # 4 B 233 ASP B 157 ASP~? 15.61 O3 SO4 B 243 B 254 HIS B 106 HIS^? 13.01 O3 SO4 B 243 B 301 ASP B 107 ASP^? 18.02 O3 SO4 B 243 coo 56.25 -34.15 2.23 54.65 -32.85 1.82 -12.32 32.41 21.01 -13.75 33.02 22.44 coo 50.90 -32.78 1.00 50.77 -31.41 2.56 -11.40 33.04 16.07 -11.74 35.05 16.56 coo 46.50 -31.79 2.21 46.79 -30.43 3.83 -16.27 29.29 14.31 -16.58 30.52 12.63 1ez2_c01 source 1ez2 PHOSPHOTRIESTERASE : 4 hits 1ez2_c01 naa= 3 ULMN 3 1f80_c03 ACYL CARRIER PROTEIN user 1 3 # 1 A 105 HIS A 180 HIS^? 16.73 O4 SO4 A 243 C 62 LYS A 118 LYS~? 14.73 O3 SO4 A 243 F 35 ASP A 218 ASP~? 20.27 O4 SO4 A 243 coo 15.40 22.79 16.66 13.93 24.10 15.98 23.63 8.86 13.89 25.45 9.53 13.13 coo 19.95 18.98 4.81 18.82 20.94 10.49 25.35 9.54 0.37 20.43 7.24 0.70 coo 16.32 15.30 17.19 17.71 14.73 18.69 29.47 11.44 11.56 27.66 12.20 10.67 ULMN 3 1f80_c03 ACYL CARRIER PROTEIN user 2 3 # 2 A 105 HIS B 180 HIS^? 17.04 O1 SO4 B 243 C 62 LYS B 118 LYS~? 15.88 O1 SO4 B 243 F 35 ASP B 218 ASP~? 20.31 O1 SO4 B 243 coo 15.40 22.79 16.66 13.93 24.10 15.98 3.74 13.87 25.77 2.21 13.26 27.09 coo 19.95 18.98 4.81 18.82 20.94 10.49 -8.85 13.11 20.72 -7.39 14.71 15.31 coo 16.32 15.30 17.19 17.71 14.73 18.69 -1.00 11.19 29.58 -0.84 10.48 27.56 1f80_c03 source 1f80 ACYL CARRIER PROTEIN : 2 hits 1f80_c03 naa= 3 ULMN 3 1f80_c05 ACYL CARRIER PROTEIN user 1 3 # 1 A 62 LYS A 118 LYS~? 14.73 O3 SO4 A 243 B 105 HIS A 180 HIS^? 16.73 O4 SO4 A 243 E 35 ASP A 218 ASP~? 20.27 O4 SO4 A 243 coo 20.51 39.76 8.83 21.23 37.38 14.18 25.35 9.54 0.37 20.43 7.24 0.70 coo 27.18 37.56 20.68 29.07 38.28 20.13 23.63 8.86 13.89 25.45 9.53 13.13 coo 19.97 40.39 22.03 18.53 39.30 23.18 29.47 11.44 11.56 27.66 12.20 10.67 ULMN 3 1f80_c05 ACYL CARRIER PROTEIN user 2 3 # 2 A 62 LYS B 118 LYS~? 15.88 O1 SO4 B 243 B 105 HIS B 180 HIS^? 17.04 O1 SO4 B 243 E 35 ASP B 218 ASP~? 20.31 O1 SO4 B 243 coo 20.51 39.76 8.83 21.23 37.38 14.18 -8.85 13.11 20.72 -7.39 14.71 15.31 coo 27.18 37.56 20.68 29.07 38.28 20.13 3.74 13.87 25.77 2.21 13.26 27.09 coo 19.97 40.39 22.03 18.53 39.30 23.18 -1.00 11.19 29.58 -0.84 10.48 27.56 1f80_c05 source 1f80 ACYL CARRIER PROTEIN : 2 hits 1f80_c05 naa= 3 ULMN 3 1fc4_c02 2-AMINO-3-KETOBUTYRATE CONENZYME A Luser 1 3 # 1 A 112 PHE A 159 PHE~? 12.70 O1 SO4 A 243 A 210 ASP A 168 ASP~? 7.04 O4 SO4 A 243 A 244 LYS A 175 LYS~? 15.75 O4 SO4 A 243 coo 9.23 46.77 25.11 11.48 48.39 24.76 27.57 -12.73 4.97 30.30 -13.19 5.58 coo 10.51 37.86 19.71 9.07 39.38 20.04 22.19 -10.44 12.27 20.99 -10.59 13.96 coo -1.20 42.34 17.67 3.19 45.13 19.06 31.71 -5.61 14.13 32.23 -10.41 15.70 1fc4_c02 source 1fc4 2-AMINO-3-KETOBUTYRATE CONENZYME A LIGASE : 1 hits 1fc4_c02 naa= 3 ULMN 3 1fc4_c03 2-AMINO-3-KETOBUTYRATE CONENZYME A Luser 1 3 # 1 B 112 PHE A 159 PHE~? 12.70 O1 SO4 A 243 B 210 ASP A 168 ASP~? 7.04 O4 SO4 A 243 B 244 LYS A 175 LYS~? 15.75 O4 SO4 A 243 coo 8.76 47.85 34.91 11.08 46.36 35.41 27.57 -12.73 4.97 30.30 -13.19 5.58 coo 9.06 56.85 40.30 7.71 55.27 39.90 22.19 -10.44 12.27 20.99 -10.59 13.96 coo -2.38 51.82 41.62 2.07 49.19 40.42 31.71 -5.61 14.13 32.23 -10.41 15.70 ULMN 3 1fc4_c03 2-AMINO-3-KETOBUTYRATE CONENZYME A Luser 2 3 # 2 B 112 PHE B 159 PHE~? 12.51 O3 SO4 B 243 B 210 ASP B 168 ASP~? 6.50 O2 SO4 B 243 B 244 LYS B 175 LYS~? 16.29 O2 SO4 B 243 coo 8.76 47.85 34.91 11.08 46.36 35.41 -6.17 35.50 24.73 -6.58 35.92 27.48 coo 9.06 56.85 40.30 7.71 55.27 39.90 3.03 33.25 23.92 5.06 33.14 23.36 coo -2.38 51.82 41.62 2.07 49.19 40.42 -0.06 28.25 32.86 0.77 33.04 34.82 1fc4_c03 source 1fc4 2-AMINO-3-KETOBUTYRATE CONENZYME A LIGASE : 2 hits 1fc4_c03 naa= 3 ULMN 3 1fc4_c04 2-AMINO-3-KETOBUTYRATE CONENZYME A Luser 1 3 # 1 A 136 HIS A 167 HIS~? -3.76 O4 SO4 A 243s A 210 ASP A 168 ASP~? 7.04 O4 SO4 A 243 A 244 LYS A 175 LYS~? 15.75 O4 SO4 A 243 coo 11.28 44.53 18.60 9.91 46.00 19.20 20.59 -3.79 11.26 20.06 -1.97 10.36 coo 10.51 37.86 19.71 9.07 39.38 20.04 22.19 -10.44 12.27 20.99 -10.59 13.96 coo -1.20 42.34 17.67 3.19 45.13 19.06 31.71 -5.61 14.13 32.23 -10.41 15.70 ULMN 3 1fc4_c04 2-AMINO-3-KETOBUTYRATE CONENZYME A Luser 2 3 # 2 A 136 HIS A 180 HIS^? 16.73 O4 SO4 A 243 A 210 ASP A 218 ASP~? 20.27 O4 SO4 A 243 A 244 LYS A 118 LYS~? 14.73 O3 SO4 A 243 coo 11.28 44.53 18.60 9.91 46.00 19.20 23.63 8.86 13.89 25.45 9.53 13.13 coo 10.51 37.86 19.71 9.07 39.38 20.04 29.47 11.44 11.56 27.66 12.20 10.67 coo -1.20 42.34 17.67 3.19 45.13 19.06 25.35 9.54 0.37 20.43 7.24 0.70 ULMN 3 1fc4_c04 2-AMINO-3-KETOBUTYRATE CONENZYME A Luser 3 3 # 3 A 136 HIS A 180 HIS^? 16.73 O4 SO4 A 243 A 210 ASP A 218 ASP~? 20.27 O4 SO4 A 243 A 244 LYS A 211 LYS^? 6.62 O3 SO4 A 243 coo 11.28 44.53 18.60 9.91 46.00 19.20 23.63 8.86 13.89 25.45 9.53 13.13 coo 10.51 37.86 19.71 9.07 39.38 20.04 29.47 11.44 11.56 27.66 12.20 10.67 coo -1.20 42.34 17.67 3.19 45.13 19.06 17.59 6.59 4.81 17.28 1.50 8.69 ULMN 3 1fc4_c04 2-AMINO-3-KETOBUTYRATE CONENZYME A Luser 4 3 # 4 A 136 HIS A 229 HIS^? 22.39 O3 SO4 A 243 A 210 ASP A 204 ASP.? 25.99 O3 SO4 A 243 A 244 LYS A 196 LYS~? 24.16 O1 SO4 A 243 coo 11.28 44.53 18.60 9.91 46.00 19.20 -0.05 2.05 -3.08 -1.62 2.78 -4.27 coo 10.51 37.86 19.71 9.07 39.38 20.04 0.25 4.29 -7.71 -1.48 3.39 -8.50 coo -1.20 42.34 17.67 3.19 45.13 19.06 5.42 -4.88 -10.39 6.31 -8.43 -13.80 ULMN 3 1fc4_c04 2-AMINO-3-KETOBUTYRATE CONENZYME A Luser 5 3 # 5 A 136 HIS B 180 HIS^? 17.04 O1 SO4 B 243 A 210 ASP B 218 ASP~? 20.31 O1 SO4 B 243 A 244 LYS B 118 LYS~? 15.88 O1 SO4 B 243 coo 11.28 44.53 18.60 9.91 46.00 19.20 3.74 13.87 25.77 2.21 13.26 27.09 coo 10.51 37.86 19.71 9.07 39.38 20.04 -1.00 11.19 29.58 -0.84 10.48 27.56 coo -1.20 42.34 17.67 3.19 45.13 19.06 -8.85 13.11 20.72 -7.39 14.71 15.31 ULMN 3 1fc4_c04 2-AMINO-3-KETOBUTYRATE CONENZYME A Luser 6 3 # 6 A 136 HIS B 180 HIS^? 17.04 O1 SO4 B 243 A 210 ASP B 218 ASP~? 20.31 O1 SO4 B 243 A 244 LYS B 211 LYS^? 7.04 O1 SO4 B 243 coo 11.28 44.53 18.60 9.91 46.00 19.20 3.74 13.87 25.77 2.21 13.26 27.09 coo 10.51 37.86 19.71 9.07 39.38 20.04 -1.00 11.19 29.58 -0.84 10.48 27.56 coo -1.20 42.34 17.67 3.19 45.13 19.06 -1.16 16.10 16.00 2.65 20.89 17.79 ULMN 3 1fc4_c04 2-AMINO-3-KETOBUTYRATE CONENZYME A Luser 7 3 # 7 A 136 HIS B 229 HIS^? 22.78 O1 SO4 B 243 A 210 ASP B 204 ASP.? 26.31 O1 SO4 B 243 A 244 LYS B 196 LYS~? 22.85 O3 SO4 B 243 coo 11.28 44.53 18.60 9.91 46.00 19.20 0.17 20.57 -3.28 -0.12 19.82 -5.21 coo 10.51 37.86 19.71 9.07 39.38 20.04 -4.03 18.39 -5.24 -3.87 19.29 -7.14 coo -1.20 42.34 17.67 3.19 45.13 19.06 -8.91 27.48 -2.00 -11.17 32.01 -1.90 1fc4_c04 source 1fc4 2-AMINO-3-KETOBUTYRATE CONENZYME A LIGASE : 7 hits 1fc4_c04 naa= 3 ULMN 3 1fc4_c05 2-AMINO-3-KETOBUTYRATE CONENZYME A Luser 1 3 # 1 B 136 HIS A 167 HIS~? -3.76 O4 SO4 A 243s B 210 ASP A 168 ASP~? 7.04 O4 SO4 A 243 B 244 LYS A 175 LYS~? 15.75 O4 SO4 A 243 coo 10.08 50.18 41.78 8.91 48.61 41.04 20.59 -3.79 11.26 20.06 -1.97 10.36 coo 9.06 56.85 40.30 7.71 55.27 39.90 22.19 -10.44 12.27 20.99 -10.59 13.96 coo -2.38 51.82 41.62 2.07 49.19 40.42 31.71 -5.61 14.13 32.23 -10.41 15.70 ULMN 3 1fc4_c05 2-AMINO-3-KETOBUTYRATE CONENZYME A Luser 2 3 # 2 B 136 HIS A 180 HIS^? 16.73 O4 SO4 A 243 B 210 ASP A 218 ASP~? 20.27 O4 SO4 A 243 B 244 LYS A 118 LYS~? 14.73 O3 SO4 A 243 coo 10.08 50.18 41.78 8.91 48.61 41.04 23.63 8.86 13.89 25.45 9.53 13.13 coo 9.06 56.85 40.30 7.71 55.27 39.90 29.47 11.44 11.56 27.66 12.20 10.67 coo -2.38 51.82 41.62 2.07 49.19 40.42 25.35 9.54 0.37 20.43 7.24 0.70 ULMN 3 1fc4_c05 2-AMINO-3-KETOBUTYRATE CONENZYME A Luser 3 3 # 3 B 136 HIS A 180 HIS^? 16.73 O4 SO4 A 243 B 210 ASP A 218 ASP~? 20.27 O4 SO4 A 243 B 244 LYS A 211 LYS^? 6.62 O3 SO4 A 243 coo 10.08 50.18 41.78 8.91 48.61 41.04 23.63 8.86 13.89 25.45 9.53 13.13 coo 9.06 56.85 40.30 7.71 55.27 39.90 29.47 11.44 11.56 27.66 12.20 10.67 coo -2.38 51.82 41.62 2.07 49.19 40.42 17.59 6.59 4.81 17.28 1.50 8.69 ULMN 3 1fc4_c05 2-AMINO-3-KETOBUTYRATE CONENZYME A Luser 4 3 # 4 B 136 HIS A 229 HIS^? 22.39 O3 SO4 A 243 B 210 ASP A 204 ASP.? 25.99 O3 SO4 A 243 B 244 LYS A 196 LYS~? 24.16 O1 SO4 A 243 coo 10.08 50.18 41.78 8.91 48.61 41.04 -0.05 2.05 -3.08 -1.62 2.78 -4.27 coo 9.06 56.85 40.30 7.71 55.27 39.90 0.25 4.29 -7.71 -1.48 3.39 -8.50 coo -2.38 51.82 41.62 2.07 49.19 40.42 5.42 -4.88 -10.39 6.31 -8.43 -13.80 ULMN 3 1fc4_c05 2-AMINO-3-KETOBUTYRATE CONENZYME A Luser 5 3 # 5 B 136 HIS B 167 HIS~? -3.98 O2 SO4 B 243s B 210 ASP B 168 ASP~? 6.50 O2 SO4 B 243 B 244 LYS B 175 LYS~? 16.29 O2 SO4 B 243 coo 10.08 50.18 41.78 8.91 48.61 41.04 2.71 26.62 21.63 2.19 24.83 20.66 coo 9.06 56.85 40.30 7.71 55.27 39.90 3.03 33.25 23.92 5.06 33.14 23.36 coo -2.38 51.82 41.62 2.07 49.19 40.42 -0.06 28.25 32.86 0.77 33.04 34.82 ULMN 3 1fc4_c05 2-AMINO-3-KETOBUTYRATE CONENZYME A Luser 6 3 # 6 B 136 HIS B 180 HIS^? 17.04 O1 SO4 B 243 B 210 ASP B 218 ASP~? 20.31 O1 SO4 B 243 B 244 LYS B 118 LYS~? 15.88 O1 SO4 B 243 coo 10.08 50.18 41.78 8.91 48.61 41.04 3.74 13.87 25.77 2.21 13.26 27.09 coo 9.06 56.85 40.30 7.71 55.27 39.90 -1.00 11.19 29.58 -0.84 10.48 27.56 coo -2.38 51.82 41.62 2.07 49.19 40.42 -8.85 13.11 20.72 -7.39 14.71 15.31 ULMN 3 1fc4_c05 2-AMINO-3-KETOBUTYRATE CONENZYME A Luser 7 3 # 7 B 136 HIS B 180 HIS^? 17.04 O1 SO4 B 243 B 210 ASP B 218 ASP~? 20.31 O1 SO4 B 243 B 244 LYS B 183 LYS^? 10.90 O1 SO4 B 243 coo 10.08 50.18 41.78 8.91 48.61 41.04 3.74 13.87 25.77 2.21 13.26 27.09 coo 9.06 56.85 40.30 7.71 55.27 39.90 -1.00 11.19 29.58 -0.84 10.48 27.56 coo -2.38 51.82 41.62 2.07 49.19 40.42 1.60 12.78 15.42 4.74 17.90 14.06 ULMN 3 1fc4_c05 2-AMINO-3-KETOBUTYRATE CONENZYME A Luser 8 3 # 8 B 136 HIS B 180 HIS^? 17.04 O1 SO4 B 243 B 210 ASP B 218 ASP~? 20.31 O1 SO4 B 243 B 244 LYS B 211 LYS^? 7.04 O1 SO4 B 243 coo 10.08 50.18 41.78 8.91 48.61 41.04 3.74 13.87 25.77 2.21 13.26 27.09 coo 9.06 56.85 40.30 7.71 55.27 39.90 -1.00 11.19 29.58 -0.84 10.48 27.56 coo -2.38 51.82 41.62 2.07 49.19 40.42 -1.16 16.10 16.00 2.65 20.89 17.79 ULMN 3 1fc4_c05 2-AMINO-3-KETOBUTYRATE CONENZYME A Luser 9 3 # 9 B 136 HIS B 229 HIS^? 22.78 O1 SO4 B 243 B 210 ASP B 204 ASP.? 26.31 O1 SO4 B 243 B 244 LYS B 196 LYS~? 22.85 O3 SO4 B 243 coo 10.08 50.18 41.78 8.91 48.61 41.04 0.17 20.57 -3.28 -0.12 19.82 -5.21 coo 9.06 56.85 40.30 7.71 55.27 39.90 -4.03 18.39 -5.24 -3.87 19.29 -7.14 coo -2.38 51.82 41.62 2.07 49.19 40.42 -8.91 27.48 -2.00 -11.17 32.01 -1.90 1fc4_c05 source 1fc4 2-AMINO-3-KETOBUTYRATE CONENZYME A LIGASE : 9 hits 1fc4_c05 naa= 3 ULMN 3 1fdy_c00 N-ACETYLNEURAMINATE LYASE user 1 3 # 1 A 137 TYR A 174 TYR~? 13.06 O4 SO4 A 243 A 142 LEU A 152 LEU.? 16.47 O4 SO4 A 243 A 165 LYS A 171 LYS~? 11.57 O4 SO4 A 243 coo -38.10 -88.84 -25.29 -37.86 -86.12 -24.64 31.39 -6.57 8.03 31.19 -7.97 5.66 coo -32.09 -82.74 -22.70 -32.91 -80.79 -22.33 32.79 -0.19 4.25 32.64 1.89 4.35 coo -39.97 -88.99 -30.53 -40.75 -85.40 -25.70 27.37 -6.86 13.66 24.72 -6.49 19.13 ULMN 3 1fdy_c00 N-ACETYLNEURAMINATE LYASE user 2 3 # 2 A 137 TYR A 174 TYR~? 13.06 O4 SO4 A 243 A 142 LEU A 152 LEU.? 16.47 O4 SO4 A 243 A 165 LYS A 175 LYS~? 15.75 O4 SO4 A 243 coo -38.10 -88.84 -25.29 -37.86 -86.12 -24.64 31.39 -6.57 8.03 31.19 -7.97 5.66 coo -32.09 -82.74 -22.70 -32.91 -80.79 -22.33 32.79 -0.19 4.25 32.64 1.89 4.35 coo -39.97 -88.99 -30.53 -40.75 -85.40 -25.70 31.71 -5.61 14.13 32.23 -10.41 15.70 ULMN 3 1fdy_c00 N-ACETYLNEURAMINATE LYASE user 3 3 # 3 A 137 TYR A 197 TYR~? 17.30 O1 SO4 A 243 A 142 LEU A 227 LEU^? 15.77 O3 SO4 A 243 A 165 LYS A 196 LYS~? 24.16 O1 SO4 A 243 coo -38.10 -88.84 -25.29 -37.86 -86.12 -24.64 9.27 -5.67 -7.32 11.22 -6.86 -8.96 coo -32.09 -82.74 -22.70 -32.91 -80.79 -22.33 8.91 2.46 -2.71 9.94 3.74 -4.02 coo -39.97 -88.99 -30.53 -40.75 -85.40 -25.70 5.42 -4.88 -10.39 6.31 -8.43 -13.80 ULMN 3 1fdy_c00 N-ACETYLNEURAMINATE LYASE user 4 3 # 4 A 137 TYR B 174 TYR~? 13.14 O2 SO4 B 243 A 142 LEU B 152 LEU.? 16.74 O2 SO4 B 243 A 165 LYS B 171 LYS~? 11.43 O2 SO4 B 243 coo -38.10 -88.84 -25.29 -37.86 -86.12 -24.64 -5.23 29.34 29.67 -7.24 30.79 28.42 coo -32.09 -82.74 -22.70 -32.91 -80.79 -22.33 -9.09 22.81 28.92 -9.07 20.53 28.83 coo -39.97 -88.99 -30.53 -40.75 -85.40 -25.70 1.64 29.57 28.97 7.88 29.77 29.01 ULMN 3 1fdy_c00 N-ACETYLNEURAMINATE LYASE user 5 3 # 5 A 137 TYR B 174 TYR~? 13.14 O2 SO4 B 243 A 142 LEU B 152 LEU.? 16.74 O2 SO4 B 243 A 165 LYS B 175 LYS~? 16.29 O2 SO4 B 243 coo -38.10 -88.84 -25.29 -37.86 -86.12 -24.64 -5.23 29.34 29.67 -7.24 30.79 28.42 coo -32.09 -82.74 -22.70 -32.91 -80.79 -22.33 -9.09 22.81 28.92 -9.07 20.53 28.83 coo -39.97 -88.99 -30.53 -40.75 -85.40 -25.70 -0.06 28.25 32.86 0.77 33.04 34.82 ULMN 3 1fdy_c00 N-ACETYLNEURAMINATE LYASE user 6 3 # 6 A 137 TYR B 197 TYR~? 17.25 O3 SO4 B 243 A 142 LEU B 227 LEU^? 15.94 O1 SO4 B 243 A 165 LYS B 196 LYS~? 22.85 O3 SO4 B 243 coo -38.10 -88.84 -25.29 -37.86 -86.12 -24.64 -8.04 28.46 2.86 -10.26 29.82 3.98 coo -32.09 -82.74 -22.70 -32.91 -80.79 -22.33 -3.72 20.23 4.84 -5.36 18.88 5.00 coo -39.97 -88.99 -30.53 -40.75 -85.40 -25.70 -8.91 27.48 -2.00 -11.17 32.01 -1.90 1fdy_c00 source 1fdy N-ACETYLNEURAMINATE LYASE : 6 hits 1fdy_c00 naa= 3 ULMN 3 1fdy_c01 N-ACETYLNEURAMINATE LYASE user 1 3 # 1 B 137 TYR A 174 TYR~? 13.06 O4 SO4 A 243 B 142 LEU A 152 LEU.? 16.47 O4 SO4 A 243 B 165 LYS A 171 LYS~? 11.57 O4 SO4 A 243 coo 1.63 -78.98 -34.99 0.64 -76.54 -34.02 31.39 -6.57 8.03 31.19 -7.97 5.66 coo -5.98 -74.54 -33.87 -5.92 -72.62 -32.92 32.79 -0.19 4.25 32.64 1.89 4.35 coo 4.26 -81.75 -30.55 3.40 -75.83 -32.08 27.37 -6.86 13.66 24.72 -6.49 19.13 ULMN 3 1fdy_c01 N-ACETYLNEURAMINATE LYASE user 2 3 # 2 B 137 TYR A 174 TYR~? 13.06 O4 SO4 A 243 B 142 LEU A 152 LEU.? 16.47 O4 SO4 A 243 B 165 LYS A 175 LYS~? 15.75 O4 SO4 A 243 coo 1.63 -78.98 -34.99 0.64 -76.54 -34.02 31.39 -6.57 8.03 31.19 -7.97 5.66 coo -5.98 -74.54 -33.87 -5.92 -72.62 -32.92 32.79 -0.19 4.25 32.64 1.89 4.35 coo 4.26 -81.75 -30.55 3.40 -75.83 -32.08 31.71 -5.61 14.13 32.23 -10.41 15.70 ULMN 3 1fdy_c01 N-ACETYLNEURAMINATE LYASE user 3 3 # 3 B 137 TYR A 197 TYR~? 17.30 O1 SO4 A 243 B 142 LEU A 227 LEU^? 15.77 O3 SO4 A 243 B 165 LYS A 196 LYS~? 24.16 O1 SO4 A 243 coo 1.63 -78.98 -34.99 0.64 -76.54 -34.02 9.27 -5.67 -7.32 11.22 -6.86 -8.96 coo -5.98 -74.54 -33.87 -5.92 -72.62 -32.92 8.91 2.46 -2.71 9.94 3.74 -4.02 coo 4.26 -81.75 -30.55 3.40 -75.83 -32.08 5.42 -4.88 -10.39 6.31 -8.43 -13.80 ULMN 3 1fdy_c01 N-ACETYLNEURAMINATE LYASE user 4 3 # 4 B 137 TYR B 174 TYR~? 13.14 O2 SO4 B 243 B 142 LEU B 152 LEU.? 16.74 O2 SO4 B 243 B 165 LYS B 171 LYS~? 11.43 O2 SO4 B 243 coo 1.63 -78.98 -34.99 0.64 -76.54 -34.02 -5.23 29.34 29.67 -7.24 30.79 28.42 coo -5.98 -74.54 -33.87 -5.92 -72.62 -32.92 -9.09 22.81 28.92 -9.07 20.53 28.83 coo 4.26 -81.75 -30.55 3.40 -75.83 -32.08 1.64 29.57 28.97 7.88 29.77 29.01 ULMN 3 1fdy_c01 N-ACETYLNEURAMINATE LYASE user 5 3 # 5 B 137 TYR B 174 TYR~? 13.14 O2 SO4 B 243 B 142 LEU B 152 LEU.? 16.74 O2 SO4 B 243 B 165 LYS B 175 LYS~? 16.29 O2 SO4 B 243 coo 1.63 -78.98 -34.99 0.64 -76.54 -34.02 -5.23 29.34 29.67 -7.24 30.79 28.42 coo -5.98 -74.54 -33.87 -5.92 -72.62 -32.92 -9.09 22.81 28.92 -9.07 20.53 28.83 coo 4.26 -81.75 -30.55 3.40 -75.83 -32.08 -0.06 28.25 32.86 0.77 33.04 34.82 ULMN 3 1fdy_c01 N-ACETYLNEURAMINATE LYASE user 6 3 # 6 B 137 TYR B 197 TYR~? 17.25 O3 SO4 B 243 B 142 LEU B 227 LEU^? 15.94 O1 SO4 B 243 B 165 LYS B 196 LYS~? 22.85 O3 SO4 B 243 coo 1.63 -78.98 -34.99 0.64 -76.54 -34.02 -8.04 28.46 2.86 -10.26 29.82 3.98 coo -5.98 -74.54 -33.87 -5.92 -72.62 -32.92 -3.72 20.23 4.84 -5.36 18.88 5.00 coo 4.26 -81.75 -30.55 3.40 -75.83 -32.08 -8.91 27.48 -2.00 -11.17 32.01 -1.90 1fdy_c01 source 1fdy N-ACETYLNEURAMINATE LYASE : 6 hits 1fdy_c01 naa= 3 ULMN 3 1fdy_c02 N-ACETYLNEURAMINATE LYASE user 1 3 # 1 C 137 TYR A 174 TYR~? 13.06 O4 SO4 A 243 C 142 LEU A 152 LEU.? 16.47 O4 SO4 A 243 C 165 LYS A 171 LYS~? 11.57 O4 SO4 A 243 coo -19.42 -69.79 -47.15 -19.24 -72.58 -47.52 31.39 -6.57 8.03 31.19 -7.97 5.66 coo -15.96 -76.69 -42.83 -16.62 -78.73 -42.99 32.79 -0.19 4.25 32.64 1.89 4.35 coo -25.12 -68.79 -47.79 -21.06 -72.76 -50.30 27.37 -6.86 13.66 24.72 -6.49 19.13 ULMN 3 1fdy_c02 N-ACETYLNEURAMINATE LYASE user 2 3 # 2 C 137 TYR A 174 TYR~? 13.06 O4 SO4 A 243 C 142 LEU A 152 LEU.? 16.47 O4 SO4 A 243 C 165 LYS A 175 LYS~? 15.75 O4 SO4 A 243 coo -19.42 -69.79 -47.15 -19.24 -72.58 -47.52 31.39 -6.57 8.03 31.19 -7.97 5.66 coo -15.96 -76.69 -42.83 -16.62 -78.73 -42.99 32.79 -0.19 4.25 32.64 1.89 4.35 coo -25.12 -68.79 -47.79 -21.06 -72.76 -50.30 31.71 -5.61 14.13 32.23 -10.41 15.70 ULMN 3 1fdy_c02 N-ACETYLNEURAMINATE LYASE user 3 3 # 3 C 137 TYR A 197 TYR~? 17.30 O1 SO4 A 243 C 142 LEU A 227 LEU^? 15.77 O3 SO4 A 243 C 165 LYS A 196 LYS~? 24.16 O1 SO4 A 243 coo -19.42 -69.79 -47.15 -19.24 -72.58 -47.52 9.27 -5.67 -7.32 11.22 -6.86 -8.96 coo -15.96 -76.69 -42.83 -16.62 -78.73 -42.99 8.91 2.46 -2.71 9.94 3.74 -4.02 coo -25.12 -68.79 -47.79 -21.06 -72.76 -50.30 5.42 -4.88 -10.39 6.31 -8.43 -13.80 ULMN 3 1fdy_c02 N-ACETYLNEURAMINATE LYASE user 4 3 # 4 C 137 TYR B 174 TYR~? 13.14 O2 SO4 B 243 C 142 LEU B 152 LEU.? 16.74 O2 SO4 B 243 C 165 LYS B 171 LYS~? 11.43 O2 SO4 B 243 coo -19.42 -69.79 -47.15 -19.24 -72.58 -47.52 -5.23 29.34 29.67 -7.24 30.79 28.42 coo -15.96 -76.69 -42.83 -16.62 -78.73 -42.99 -9.09 22.81 28.92 -9.07 20.53 28.83 coo -25.12 -68.79 -47.79 -21.06 -72.76 -50.30 1.64 29.57 28.97 7.88 29.77 29.01 ULMN 3 1fdy_c02 N-ACETYLNEURAMINATE LYASE user 5 3 # 5 C 137 TYR B 174 TYR~? 13.14 O2 SO4 B 243 C 142 LEU B 152 LEU.? 16.74 O2 SO4 B 243 C 165 LYS B 175 LYS~? 16.29 O2 SO4 B 243 coo -19.42 -69.79 -47.15 -19.24 -72.58 -47.52 -5.23 29.34 29.67 -7.24 30.79 28.42 coo -15.96 -76.69 -42.83 -16.62 -78.73 -42.99 -9.09 22.81 28.92 -9.07 20.53 28.83 coo -25.12 -68.79 -47.79 -21.06 -72.76 -50.30 -0.06 28.25 32.86 0.77 33.04 34.82 ULMN 3 1fdy_c02 N-ACETYLNEURAMINATE LYASE user 6 3 # 6 C 137 TYR B 197 TYR~? 17.25 O3 SO4 B 243 C 142 LEU B 227 LEU^? 15.94 O1 SO4 B 243 C 165 LYS B 196 LYS~? 22.85 O3 SO4 B 243 coo -19.42 -69.79 -47.15 -19.24 -72.58 -47.52 -8.04 28.46 2.86 -10.26 29.82 3.98 coo -15.96 -76.69 -42.83 -16.62 -78.73 -42.99 -3.72 20.23 4.84 -5.36 18.88 5.00 coo -25.12 -68.79 -47.79 -21.06 -72.76 -50.30 -8.91 27.48 -2.00 -11.17 32.01 -1.90 1fdy_c02 source 1fdy N-ACETYLNEURAMINATE LYASE : 6 hits 1fdy_c02 naa= 3 ULMN 3 1fdy_c03 N-ACETYLNEURAMINATE LYASE user 1 3 # 1 D 137 TYR A 174 TYR~? 13.06 O4 SO4 A 243 D 142 LEU A 152 LEU.? 16.47 O4 SO4 A 243 D 165 LYS A 171 LYS~? 11.57 O4 SO4 A 243 coo -19.43 -82.92 -7.62 -19.06 -85.28 -9.04 31.39 -6.57 8.03 31.19 -7.97 5.66 coo -21.22 -86.47 -15.56 -20.39 -88.44 -15.62 32.79 -0.19 4.25 32.64 1.89 4.35 coo -14.17 -80.73 -6.25 -16.63 -86.38 -7.08 27.37 -6.86 13.66 24.72 -6.49 19.13 ULMN 3 1fdy_c03 N-ACETYLNEURAMINATE LYASE user 2 3 # 2 D 137 TYR A 174 TYR~? 13.06 O4 SO4 A 243 D 142 LEU A 152 LEU.? 16.47 O4 SO4 A 243 D 165 LYS A 175 LYS~? 15.75 O4 SO4 A 243 coo -19.43 -82.92 -7.62 -19.06 -85.28 -9.04 31.39 -6.57 8.03 31.19 -7.97 5.66 coo -21.22 -86.47 -15.56 -20.39 -88.44 -15.62 32.79 -0.19 4.25 32.64 1.89 4.35 coo -14.17 -80.73 -6.25 -16.63 -86.38 -7.08 31.71 -5.61 14.13 32.23 -10.41 15.70 ULMN 3 1fdy_c03 N-ACETYLNEURAMINATE LYASE user 3 3 # 3 D 137 TYR A 197 TYR~? 17.30 O1 SO4 A 243 D 142 LEU A 227 LEU^? 15.77 O3 SO4 A 243 D 165 LYS A 196 LYS~? 24.16 O1 SO4 A 243 coo -19.43 -82.92 -7.62 -19.06 -85.28 -9.04 9.27 -5.67 -7.32 11.22 -6.86 -8.96 coo -21.22 -86.47 -15.56 -20.39 -88.44 -15.62 8.91 2.46 -2.71 9.94 3.74 -4.02 coo -14.17 -80.73 -6.25 -16.63 -86.38 -7.08 5.42 -4.88 -10.39 6.31 -8.43 -13.80 ULMN 3 1fdy_c03 N-ACETYLNEURAMINATE LYASE user 4 3 # 4 D 137 TYR B 174 TYR~? 13.14 O2 SO4 B 243 D 142 LEU B 152 LEU.? 16.74 O2 SO4 B 243 D 165 LYS B 171 LYS~? 11.43 O2 SO4 B 243 coo -19.43 -82.92 -7.62 -19.06 -85.28 -9.04 -5.23 29.34 29.67 -7.24 30.79 28.42 coo -21.22 -86.47 -15.56 -20.39 -88.44 -15.62 -9.09 22.81 28.92 -9.07 20.53 28.83 coo -14.17 -80.73 -6.25 -16.63 -86.38 -7.08 1.64 29.57 28.97 7.88 29.77 29.01 ULMN 3 1fdy_c03 N-ACETYLNEURAMINATE LYASE user 5 3 # 5 D 137 TYR B 174 TYR~? 13.14 O2 SO4 B 243 D 142 LEU B 152 LEU.? 16.74 O2 SO4 B 243 D 165 LYS B 175 LYS~? 16.29 O2 SO4 B 243 coo -19.43 -82.92 -7.62 -19.06 -85.28 -9.04 -5.23 29.34 29.67 -7.24 30.79 28.42 coo -21.22 -86.47 -15.56 -20.39 -88.44 -15.62 -9.09 22.81 28.92 -9.07 20.53 28.83 coo -14.17 -80.73 -6.25 -16.63 -86.38 -7.08 -0.06 28.25 32.86 0.77 33.04 34.82 ULMN 3 1fdy_c03 N-ACETYLNEURAMINATE LYASE user 6 3 # 6 D 137 TYR B 197 TYR~? 17.25 O3 SO4 B 243 D 142 LEU B 227 LEU^? 15.94 O1 SO4 B 243 D 165 LYS B 196 LYS~? 22.85 O3 SO4 B 243 coo -19.43 -82.92 -7.62 -19.06 -85.28 -9.04 -8.04 28.46 2.86 -10.26 29.82 3.98 coo -21.22 -86.47 -15.56 -20.39 -88.44 -15.62 -3.72 20.23 4.84 -5.36 18.88 5.00 coo -14.17 -80.73 -6.25 -16.63 -86.38 -7.08 -8.91 27.48 -2.00 -11.17 32.01 -1.90 1fdy_c03 source 1fdy N-ACETYLNEURAMINATE LYASE : 6 hits 1fdy_c03 naa= 3 ULMN 3 1fuq_c00 FUMARASE C user 1 3 # 1 A 324 LYS A 113 LYS~? 30.41 O3 SO4 A 243 A 331 GLU A 129 GLU^? 16.53 O1 SO4 A 243 B 188 HIS A 147 HIS^? 14.45 O3 SO4 A 243 coo 130.22 155.23 83.49 125.21 153.71 84.04 26.35 9.86 -8.18 28.43 13.70 -12.96 coo 120.90 152.23 75.28 120.94 153.09 77.19 20.62 -2.18 -6.03 20.44 -1.20 -7.86 coo 122.04 152.80 81.06 120.71 154.37 81.46 22.73 1.14 -3.20 21.31 1.29 -4.76 ULMN 3 1fuq_c00 FUMARASE C user 2 3 # 2 A 324 LYS A 118 LYS~? 14.73 O3 SO4 A 243 A 331 GLU A 129 GLU^? 16.53 O1 SO4 A 243 B 188 HIS A 147 HIS^? 14.45 O3 SO4 A 243 coo 130.22 155.23 83.49 125.21 153.71 84.04 25.35 9.54 0.37 20.43 7.24 0.70 coo 120.90 152.23 75.28 120.94 153.09 77.19 20.62 -2.18 -6.03 20.44 -1.20 -7.86 coo 122.04 152.80 81.06 120.71 154.37 81.46 22.73 1.14 -3.20 21.31 1.29 -4.76 ULMN 3 1fuq_c00 FUMARASE C user 3 3 # 3 A 324 LYS B 113 LYS~? 30.21 O1 SO4 B 243 A 331 GLU B 129 GLU^? 16.54 O1 SO4 B 243 B 188 HIS B 147 HIS^? 14.18 O1 SO4 B 243 coo 130.22 155.23 83.49 125.21 153.71 84.04 -16.92 12.76 17.51 -22.08 8.80 17.21 coo 120.90 152.23 75.28 120.94 153.09 77.19 -12.39 24.89 13.45 -13.91 23.80 12.41 coo 122.04 152.80 81.06 120.71 154.37 81.46 -10.85 21.55 16.70 -11.51 21.37 14.71 ULMN 3 1fuq_c00 FUMARASE C user 4 3 # 4 A 324 LYS B 118 LYS~? 15.88 O1 SO4 B 243 A 331 GLU B 129 GLU^? 16.54 O1 SO4 B 243 B 188 HIS B 147 HIS^? 14.18 O1 SO4 B 243 coo 130.22 155.23 83.49 125.21 153.71 84.04 -8.85 13.11 20.72 -7.39 14.71 15.31 coo 120.90 152.23 75.28 120.94 153.09 77.19 -12.39 24.89 13.45 -13.91 23.80 12.41 coo 122.04 152.80 81.06 120.71 154.37 81.46 -10.85 21.55 16.70 -11.51 21.37 14.71 1fuq_c00 source 1fuq FUMARASE C : 4 hits 1fuq_c00 naa= 3 ULMN 3 1ga8_c00 GALACTOSYL TRANSFERASE LGTC user 1 3 # 1 A 130 ASP A 137 ASP.? 20.28 O2 SO4 A 243 A 153 ASN A 136 ASN.? 17.89 O2 SO4 A 243 A 189 GLN A 139 GLN.? 19.95 O3 SO4 A 243 coo 27.45 53.97 73.24 26.29 54.34 71.54 -1.53 -10.78 4.66 -2.79 -9.50 3.60 coo 29.93 52.22 70.56 29.34 51.93 68.54 0.79 -6.12 4.86 -1.05 -6.29 5.90 coo 26.19 47.96 71.25 25.92 49.81 70.24 -0.79 -5.12 0.76 -2.15 -3.86 1.80 ULMN 3 1ga8_c00 GALACTOSYL TRANSFERASE LGTC user 2 3 # 2 A 130 ASP A 218 ASP~? 20.27 O4 SO4 A 243 A 153 ASN A 217 ASN~? 21.76 O4 SO4 A 243 A 189 GLN A 219 GLN^? 18.87 O4 SO4 A 243 coo 27.45 53.97 73.24 26.29 54.34 71.54 29.47 11.44 11.56 27.66 12.20 10.67 coo 29.93 52.22 70.56 29.34 51.93 68.54 33.86 8.35 13.24 35.05 7.27 14.73 coo 26.19 47.96 71.25 25.92 49.81 70.24 32.01 5.25 8.52 32.81 6.24 6.79 ULMN 3 1ga8_c00 GALACTOSYL TRANSFERASE LGTC user 3 3 # 3 A 130 ASP B 137 ASP.? 20.11 O4 SO4 B 243 A 153 ASN B 136 ASN.? 14.49 O4 SO4 B 243 A 189 GLN B 139 GLN.? 20.21 O4 SO4 B 243 coo 27.45 53.97 73.24 26.29 54.34 71.54 7.58 33.13 -0.50 7.13 32.43 -2.48 coo 29.93 52.22 70.56 29.34 51.93 68.54 7.06 29.24 3.43 9.17 29.25 3.86 coo 26.19 47.96 71.25 25.92 49.81 70.24 3.87 27.89 -2.04 5.30 26.56 -2.87 ULMN 3 1ga8_c00 GALACTOSYL TRANSFERASE LGTC user 4 3 # 4 A 130 ASP B 218 ASP~? 20.31 O1 SO4 B 243 A 153 ASN B 217 ASN~? 23.07 O2 SO4 B 243 A 189 GLN B 219 GLN^? 19.19 O1 SO4 B 243 coo 27.45 53.97 73.24 26.29 54.34 71.54 -1.00 11.19 29.58 -0.84 10.48 27.56 coo 29.93 52.22 70.56 29.34 51.93 68.54 -1.00 13.67 34.56 0.23 13.89 36.29 coo 26.19 47.96 71.25 25.92 49.81 70.24 -4.94 17.44 30.35 -6.90 16.60 30.36 1ga8_c00 source 1ga8 GALACTOSYL TRANSFERASE LGTC : 4 hits 1ga8_c00 naa= 3 ULMN 3 1gal_c00 GLUCOSE OXIDASE (E.C.1.1.3.4) user 1 3 # 1 412 GLU A 144 GLU^? 5.14 O3 SO4 A 243 516 HIS A 102 HIS^? 13.43 O1 SO4 A 243 559 HIS A 101 HIS.? 5.49 O3 SO4 A 243 coo 49.01 14.50 52.53 46.99 14.61 52.78 15.10 -1.99 1.69 15.82 -3.30 3.21 coo 41.59 7.83 54.15 41.16 9.87 53.87 10.89 -12.56 -1.72 11.39 -13.56 -3.50 coo 42.22 14.55 52.50 43.91 14.87 53.60 12.44 -8.38 4.91 13.10 -6.40 5.14 ULMN 3 1gal_c00 GLUCOSE OXIDASE (E.C.1.1.3.4) user 2 3 # 2 412 GLU B 144 GLU^? 5.26 O1 SO4 B 243 516 HIS B 102 HIS^? 13.40 O3 SO4 B 243 559 HIS B 101 HIS.? 5.53 O4 SO4 B 243 coo 49.01 14.50 52.53 46.99 14.61 52.78 -2.94 24.68 12.26 -2.09 26.04 13.69 coo 41.59 7.83 54.15 41.16 9.87 53.87 -4.13 35.26 6.99 -5.90 36.34 6.69 coo 42.22 14.55 52.50 43.91 14.87 53.60 1.10 31.39 11.62 1.04 29.37 12.19 1gal_c00 source 1gal GLUCOSE OXIDASE (E.C.1.1.3.4) : 2 hits 1gal_c00 naa= 3 ULMN 3 1geq_c02 TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT user 1 3 # 1 A 36 GLU A 193 GLU~? 18.22 O3 SO4 A 243 A 47 ASP A 204 ASP.? 25.99 O3 SO4 A 243 A 161 TYR A 197 TYR~? 17.30 O1 SO4 A 243 coo 37.12 18.35 73.76 37.09 16.69 72.44 11.64 -2.46 -10.15 13.74 -2.34 -9.81 coo 29.81 8.06 73.13 30.21 10.11 72.95 0.25 4.29 -7.71 -1.48 3.39 -8.50 coo 37.29 15.56 67.90 37.37 13.79 70.08 9.27 -5.67 -7.32 11.22 -6.86 -8.96 ULMN 3 1geq_c02 TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT user 2 3 # 2 A 36 GLU B 193 GLU~? 18.43 O1 SO4 B 243 A 47 ASP B 204 ASP.? 26.31 O1 SO4 B 243 A 161 TYR B 197 TYR~? 17.25 O3 SO4 B 243 coo 37.12 18.35 73.76 37.09 16.69 72.44 -11.89 25.08 3.55 -12.49 24.58 5.53 coo 29.81 8.06 73.13 30.21 10.11 72.95 -4.03 18.39 -5.24 -3.87 19.29 -7.14 coo 37.29 15.56 67.90 37.37 13.79 70.08 -8.04 28.46 2.86 -10.26 29.82 3.98 1geq_c02 source 1geq TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT : 2 hits 1geq_c02 naa= 3 ULMN 3 1geq_c03 TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT user 1 3 # 1 B 36 GLU A 193 GLU~? 18.22 O3 SO4 A 243 B 47 ASP A 204 ASP.? 25.99 O3 SO4 A 243 B 161 TYR A 197 TYR~? 17.30 O1 SO4 A 243 coo 53.87 35.49 53.22 55.44 35.72 54.61 11.64 -2.46 -10.15 13.74 -2.34 -9.81 coo 63.47 43.65 53.95 61.45 43.07 54.06 0.25 4.29 -7.71 -1.48 3.39 -8.50 coo 56.38 35.81 59.19 58.25 35.77 57.10 9.27 -5.67 -7.32 11.22 -6.86 -8.96 ULMN 3 1geq_c03 TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT user 2 3 # 2 B 36 GLU B 193 GLU~? 18.43 O1 SO4 B 243 B 47 ASP B 204 ASP.? 26.31 O1 SO4 B 243 B 161 TYR B 197 TYR~? 17.25 O3 SO4 B 243 coo 53.87 35.49 53.22 55.44 35.72 54.61 -11.89 25.08 3.55 -12.49 24.58 5.53 coo 63.47 43.65 53.95 61.45 43.07 54.06 -4.03 18.39 -5.24 -3.87 19.29 -7.14 coo 56.38 35.81 59.19 58.25 35.77 57.10 -8.04 28.46 2.86 -10.26 29.82 3.98 1geq_c03 source 1geq TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT : 2 hits 1geq_c03 naa= 3 ULMN 3 1gim_c00 ADENYLOSUCCINATE SYNTHETASE user 1 3 # 1 13 ASP A 199 ASP~? 23.37 O3 SO4 A 243 41 HIS A 229 HIS^? 22.39 O3 SO4 A 243 224 GLN A 139 GLN.? 19.95 O3 SO4 A 243 coo -3.80 50.71 49.48 -5.59 51.85 49.27 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 coo -6.45 47.32 41.99 -8.32 46.87 42.83 -0.05 2.05 -3.08 -1.62 2.78 -4.27 coo -12.35 49.13 49.89 -13.38 48.89 48.03 -0.79 -5.12 0.76 -2.15 -3.86 1.80 ULMN 3 1gim_c00 ADENYLOSUCCINATE SYNTHETASE user 2 3 # 2 13 ASP A 218 ASP~? 20.27 O4 SO4 A 243 41 HIS A 180 HIS^? 16.73 O4 SO4 A 243 224 GLN A 219 GLN^? 18.87 O4 SO4 A 243 coo -3.80 50.71 49.48 -5.59 51.85 49.27 29.47 11.44 11.56 27.66 12.20 10.67 coo -6.45 47.32 41.99 -8.32 46.87 42.83 23.63 8.86 13.89 25.45 9.53 13.13 coo -12.35 49.13 49.89 -13.38 48.89 48.03 32.01 5.25 8.52 32.81 6.24 6.79 ULMN 3 1gim_c00 ADENYLOSUCCINATE SYNTHETASE user 3 3 # 3 13 ASP B 199 ASP~? 23.68 O1 SO4 B 243 41 HIS B 229 HIS^? 22.78 O1 SO4 B 243 224 GLN B 139 GLN.? 20.21 O4 SO4 B 243 coo -3.80 50.71 49.48 -5.59 51.85 49.27 -3.04 28.39 -4.12 -2.88 29.28 -6.05 coo -6.45 47.32 41.99 -8.32 46.87 42.83 0.17 20.57 -3.28 -0.12 19.82 -5.21 coo -12.35 49.13 49.89 -13.38 48.89 48.03 3.87 27.89 -2.04 5.30 26.56 -2.87 ULMN 3 1gim_c00 ADENYLOSUCCINATE SYNTHETASE user 4 3 # 4 13 ASP B 218 ASP~? 20.31 O1 SO4 B 243 41 HIS B 180 HIS^? 17.04 O1 SO4 B 243 224 GLN B 219 GLN^? 19.19 O1 SO4 B 243 coo -3.80 50.71 49.48 -5.59 51.85 49.27 -1.00 11.19 29.58 -0.84 10.48 27.56 coo -6.45 47.32 41.99 -8.32 46.87 42.83 3.74 13.87 25.77 2.21 13.26 27.09 coo -12.35 49.13 49.89 -13.38 48.89 48.03 -4.94 17.44 30.35 -6.90 16.60 30.36 1gim_c00 source 1gim ADENYLOSUCCINATE SYNTHETASE : 4 hits 1gim_c00 naa= 3 ULMN 3 1gns_c00 SUBTILISIN BPN' user 1 3 # 1 A 32 ASP A 204 ASP.? 25.99 O3 SO4 A 243 A 64 HIS A 229 HIS^? 22.39 O3 SO4 A 243 A 155 ASN A 136 ASN.? 17.89 O2 SO4 A 243 coo 3.12 38.70 24.20 3.24 38.59 26.33 0.25 4.29 -7.71 -1.48 3.39 -8.50 coo 1.90 38.00 29.77 3.91 38.35 29.95 -0.05 2.05 -3.08 -1.62 2.78 -4.27 coo 9.89 36.55 37.38 9.27 37.99 36.08 0.79 -6.12 4.86 -1.05 -6.29 5.90 ULMN 3 1gns_c00 SUBTILISIN BPN' user 2 3 # 2 A 32 ASP A 204 ASP.? 25.99 O3 SO4 A 243 A 64 HIS A 229 HIS^? 22.39 O3 SO4 A 243 A 155 ASN B 186 ASN^? 21.89 O1 SO4 B 243 coo 3.12 38.70 24.20 3.24 38.59 26.33 0.25 4.29 -7.71 -1.48 3.39 -8.50 coo 1.90 38.00 29.77 3.91 38.35 29.95 -0.05 2.05 -3.08 -1.62 2.78 -4.27 coo 9.89 36.55 37.38 9.27 37.99 36.08 -2.69 10.01 6.36 -2.94 8.50 7.82 ULMN 3 1gns_c00 SUBTILISIN BPN' user 3 3 # 3 A 32 ASP B 204 ASP.? 26.31 O1 SO4 B 243 A 64 HIS B 229 HIS^? 22.78 O1 SO4 B 243 A 155 ASN A 186 ASN^? 21.74 O3 SO4 A 243 coo 3.12 38.70 24.20 3.24 38.59 26.33 -4.03 18.39 -5.24 -3.87 19.29 -7.14 coo 1.90 38.00 29.77 3.91 38.35 29.95 0.17 20.57 -3.28 -0.12 19.82 -5.21 coo 9.89 36.55 37.38 9.27 37.99 36.08 9.75 12.61 -1.00 11.18 14.16 -0.53 1gns_c00 source 1gns SUBTILISIN BPN' : 3 hits 1gns_c00 naa= 3 ULMN 3 1gpm_c00 GMP SYNTHETASE user 1 3 # 1 A 86 CYH A 223 CYH^? 13.89 O3 SO4 A 243 A 181 HIS A 147 HIS^? 14.45 O3 SO4 A 243 A 183 GLU A 129 GLU^? 16.53 O1 SO4 A 243 coo 117.68 94.64 64.02 117.70 92.25 62.50 21.69 3.75 2.44 22.79 4.57 -0.06 coo 119.92 89.03 61.19 119.18 89.32 63.12 22.73 1.14 -3.20 21.31 1.29 -4.76 coo 124.93 87.80 60.99 123.56 89.34 61.53 20.62 -2.18 -6.03 20.44 -1.20 -7.86 ULMN 3 1gpm_c00 GMP SYNTHETASE user 2 3 # 2 A 86 CYH B 223 CYH^? 13.65 O1 SO4 B 243 A 181 HIS B 147 HIS^? 14.18 O1 SO4 B 243 A 183 GLU B 129 GLU^? 16.54 O1 SO4 B 243 coo 117.68 94.64 64.02 117.70 92.25 62.50 -5.44 18.90 18.45 -8.10 18.07 18.26 coo 119.92 89.03 61.19 119.18 89.32 63.12 -10.85 21.55 16.70 -11.51 21.37 14.71 coo 124.93 87.80 60.99 123.56 89.34 61.53 -12.39 24.89 13.45 -13.91 23.80 12.41 1gpm_c00 source 1gpm GMP SYNTHETASE : 2 hits 1gpm_c00 naa= 3 ULMN 3 1gpm_c01 GMP SYNTHETASE user 1 3 # 1 B 86 CYH A 223 CYH^? 13.89 O3 SO4 A 243 B 181 HIS A 147 HIS^? 14.45 O3 SO4 A 243 B 183 GLU A 129 GLU^? 16.53 O1 SO4 A 243 coo 149.55 66.18 33.25 147.14 66.01 34.49 21.69 3.75 2.44 22.79 4.57 -0.06 coo 143.50 67.99 35.75 143.97 67.45 33.78 22.73 1.14 -3.20 21.31 1.29 -4.76 coo 142.26 72.94 36.43 143.85 71.64 35.84 20.62 -2.18 -6.03 20.44 -1.20 -7.86 ULMN 3 1gpm_c01 GMP SYNTHETASE user 2 3 # 2 B 86 CYH B 223 CYH^? 13.65 O1 SO4 B 243 B 181 HIS B 147 HIS^? 14.18 O1 SO4 B 243 B 183 GLU B 129 GLU^? 16.54 O1 SO4 B 243 coo 149.55 66.18 33.25 147.14 66.01 34.49 -5.44 18.90 18.45 -8.10 18.07 18.26 coo 143.50 67.99 35.75 143.97 67.45 33.78 -10.85 21.55 16.70 -11.51 21.37 14.71 coo 142.26 72.94 36.43 143.85 71.64 35.84 -12.39 24.89 13.45 -13.91 23.80 12.41 1gpm_c01 source 1gpm GMP SYNTHETASE : 2 hits 1gpm_c01 naa= 3 ULMN 3 1gpm_c02 GMP SYNTHETASE user 1 3 # 1 C 86 CYH A 223 CYH^? 13.89 O3 SO4 A 243 C 181 HIS A 147 HIS^? 14.45 O3 SO4 A 243 C 183 GLU A 129 GLU^? 16.53 O1 SO4 A 243 coo 109.85 19.94 37.46 109.64 22.63 37.96 21.69 3.75 2.44 22.79 4.57 -0.06 coo 107.73 25.66 40.36 109.21 24.42 41.17 22.73 1.14 -3.20 21.31 1.29 -4.76 coo 103.49 25.96 43.17 104.66 24.74 41.89 20.62 -2.18 -6.03 20.44 -1.20 -7.86 ULMN 3 1gpm_c02 GMP SYNTHETASE user 2 3 # 2 C 86 CYH B 223 CYH^? 13.65 O1 SO4 B 243 C 181 HIS B 147 HIS^? 14.18 O1 SO4 B 243 C 183 GLU B 129 GLU^? 16.54 O1 SO4 B 243 coo 109.85 19.94 37.46 109.64 22.63 37.96 -5.44 18.90 18.45 -8.10 18.07 18.26 coo 107.73 25.66 40.36 109.21 24.42 41.17 -10.85 21.55 16.70 -11.51 21.37 14.71 coo 103.49 25.96 43.17 104.66 24.74 41.89 -12.39 24.89 13.45 -13.91 23.80 12.41 1gpm_c02 source 1gpm GMP SYNTHETASE : 2 hits 1gpm_c02 naa= 3 ULMN 3 1gpm_c03 GMP SYNTHETASE user 1 3 # 1 D 86 CYH A 223 CYH^? 13.89 O3 SO4 A 243 D 181 HIS A 147 HIS^? 14.45 O3 SO4 A 243 D 183 GLU A 129 GLU^? 16.53 O1 SO4 A 243 coo 76.48 57.73 51.96 79.16 57.24 51.49 21.69 3.75 2.44 22.79 4.57 -0.06 coo 82.26 55.06 49.56 81.33 56.85 48.97 22.73 1.14 -3.20 21.31 1.29 -4.76 coo 82.18 51.18 46.15 80.95 52.38 47.40 20.62 -2.18 -6.03 20.44 -1.20 -7.86 ULMN 3 1gpm_c03 GMP SYNTHETASE user 2 3 # 2 D 86 CYH B 223 CYH^? 13.65 O1 SO4 B 243 D 181 HIS B 147 HIS^? 14.18 O1 SO4 B 243 D 183 GLU B 129 GLU^? 16.54 O1 SO4 B 243 coo 76.48 57.73 51.96 79.16 57.24 51.49 -5.44 18.90 18.45 -8.10 18.07 18.26 coo 82.26 55.06 49.56 81.33 56.85 48.97 -10.85 21.55 16.70 -11.51 21.37 14.71 coo 82.18 51.18 46.15 80.95 52.38 47.40 -12.39 24.89 13.45 -13.91 23.80 12.41 1gpm_c03 source 1gpm GMP SYNTHETASE : 2 hits 1gpm_c03 naa= 3 ULMN 3 1grc_c02 GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMuser 1 3 # 1 A 106 ASN A 231 ASN.? 25.70 O3 SO4 A 243 A 108 HIS A 229 HIS^? 22.39 O3 SO4 A 243 A 144 ASP A 204 ASP.? 25.99 O3 SO4 A 243 coo 51.28 61.14 17.85 51.16 61.61 19.96 -4.01 3.19 -0.61 -4.89 4.35 -2.16 coo 52.62 57.63 23.12 50.77 57.51 22.26 -0.05 2.05 -3.08 -1.62 2.78 -4.27 coo 46.65 56.95 20.09 48.42 58.17 20.01 0.25 4.29 -7.71 -1.48 3.39 -8.50 ULMN 3 1grc_c02 GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMuser 2 3 # 2 A 106 ASN B 231 ASN.? 26.15 O1 SO4 B 243 A 108 HIS B 229 HIS^? 22.78 O1 SO4 B 243 A 144 ASP B 204 ASP.? 26.31 O1 SO4 B 243 coo 51.28 61.14 17.85 51.16 61.61 19.96 4.19 19.46 -5.53 3.38 18.27 -7.08 coo 52.62 57.63 23.12 50.77 57.51 22.26 0.17 20.57 -3.28 -0.12 19.82 -5.21 coo 46.65 56.95 20.09 48.42 58.17 20.01 -4.03 18.39 -5.24 -3.87 19.29 -7.14 1grc_c02 source 1grc GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE (E.C: 2 hits 1grc_c02 naa= 3 ULMN 3 1gtx_c00 4-AMINOBUTYRATE AMINOTRANSFERASE user 1 3 # 1 A 189 PHE A 159 PHE~? 12.70 O1 SO4 A 243 A 298 ASP A 168 ASP~? 7.04 O4 SO4 A 243 A 329 LYS A 175 LYS~? 15.75 O4 SO4 A 243 coo 6.56 -4.17 18.88 9.26 -4.62 19.48 27.57 -12.73 4.97 30.30 -13.19 5.58 coo 2.59 0.29 25.55 4.65 0.18 25.07 22.19 -10.44 12.27 20.99 -10.59 13.96 coo 12.42 6.10 23.27 9.95 1.57 20.16 31.71 -5.61 14.13 32.23 -10.41 15.70 ULMN 3 1gtx_c00 4-AMINOBUTYRATE AMINOTRANSFERASE user 2 3 # 2 A 189 PHE B 159 PHE~? 12.51 O3 SO4 B 243 A 298 ASP B 168 ASP~? 6.50 O2 SO4 B 243 A 329 LYS B 175 LYS~? 16.29 O2 SO4 B 243 coo 6.56 -4.17 18.88 9.26 -4.62 19.48 -6.17 35.50 24.73 -6.58 35.92 27.48 coo 2.59 0.29 25.55 4.65 0.18 25.07 3.03 33.25 23.92 5.06 33.14 23.36 coo 12.42 6.10 23.27 9.95 1.57 20.16 -0.06 28.25 32.86 0.77 33.04 34.82 1gtx_c00 source 1gtx 4-AMINOBUTYRATE AMINOTRANSFERASE : 2 hits 1gtx_c00 naa= 3 ULMN 3 1gtx_c01 4-AMINOBUTYRATE AMINOTRANSFERASE user 1 3 # 1 B 189 PHE A 159 PHE~? 12.70 O1 SO4 A 243 B 298 ASP A 168 ASP~? 7.04 O4 SO4 A 243 B 329 LYS A 175 LYS~? 15.75 O4 SO4 A 243 coo 20.14 -12.51 41.29 18.81 -10.14 40.57 27.57 -12.73 4.97 30.30 -13.19 5.58 coo 25.22 -15.42 34.53 24.48 -13.46 34.89 22.19 -10.44 12.27 20.99 -10.59 13.96 coo 27.68 -4.10 35.68 24.39 -7.59 39.32 31.71 -5.61 14.13 32.23 -10.41 15.70 ULMN 3 1gtx_c01 4-AMINOBUTYRATE AMINOTRANSFERASE user 2 3 # 2 B 189 PHE B 159 PHE~? 12.51 O3 SO4 B 243 B 298 ASP B 168 ASP~? 6.50 O2 SO4 B 243 B 329 LYS B 175 LYS~? 16.29 O2 SO4 B 243 coo 20.14 -12.51 41.29 18.81 -10.14 40.57 -6.17 35.50 24.73 -6.58 35.92 27.48 coo 25.22 -15.42 34.53 24.48 -13.46 34.89 3.03 33.25 23.92 5.06 33.14 23.36 coo 27.68 -4.10 35.68 24.39 -7.59 39.32 -0.06 28.25 32.86 0.77 33.04 34.82 1gtx_c01 source 1gtx 4-AMINOBUTYRATE AMINOTRANSFERASE : 2 hits 1gtx_c01 naa= 3 ULMN 3 1gtx_c02 4-AMINOBUTYRATE AMINOTRANSFERASE user 1 3 # 1 C 189 PHE A 159 PHE~? 12.70 O1 SO4 A 243 C 298 ASP A 168 ASP~? 7.04 O4 SO4 A 243 C 329 LYS A 175 LYS~? 15.75 O4 SO4 A 243 coo 17.41 60.57 64.39 18.40 58.12 65.34 27.57 -12.73 4.97 30.30 -13.19 5.58 coo 24.10 66.43 63.33 24.18 64.30 63.40 22.19 -10.44 12.27 20.99 -10.59 13.96 coo 27.64 56.61 58.17 22.18 57.92 60.36 31.71 -5.61 14.13 32.23 -10.41 15.70 ULMN 3 1gtx_c02 4-AMINOBUTYRATE AMINOTRANSFERASE user 2 3 # 2 C 189 PHE B 159 PHE~? 12.51 O3 SO4 B 243 C 298 ASP B 168 ASP~? 6.50 O2 SO4 B 243 C 329 LYS B 175 LYS~? 16.29 O2 SO4 B 243 coo 17.41 60.57 64.39 18.40 58.12 65.34 -6.17 35.50 24.73 -6.58 35.92 27.48 coo 24.10 66.43 63.33 24.18 64.30 63.40 3.03 33.25 23.92 5.06 33.14 23.36 coo 27.64 56.61 58.17 22.18 57.92 60.36 -0.06 28.25 32.86 0.77 33.04 34.82 1gtx_c02 source 1gtx 4-AMINOBUTYRATE AMINOTRANSFERASE : 2 hits 1gtx_c02 naa= 3 ULMN 3 1gtx_c03 4-AMINOBUTYRATE AMINOTRANSFERASE user 1 3 # 1 D 189 PHE A 159 PHE~? 12.70 O1 SO4 A 243 D 298 ASP A 168 ASP~? 7.04 O4 SO4 A 243 D 329 LYS A 175 LYS~? 15.75 O4 SO4 A 243 coo 35.44 53.35 83.81 35.65 54.53 81.28 27.57 -12.73 4.97 30.30 -13.19 5.58 coo 29.72 46.46 83.60 30.79 47.36 81.99 22.19 -10.44 12.27 20.99 -10.59 13.96 coo 36.89 44.91 74.55 37.33 48.94 79.01 31.71 -5.61 14.13 32.23 -10.41 15.70 ULMN 3 1gtx_c03 4-AMINOBUTYRATE AMINOTRANSFERASE user 2 3 # 2 D 189 PHE B 159 PHE~? 12.51 O3 SO4 B 243 D 298 ASP B 168 ASP~? 6.50 O2 SO4 B 243 D 329 LYS B 175 LYS~? 16.29 O2 SO4 B 243 coo 35.44 53.35 83.81 35.65 54.53 81.28 -6.17 35.50 24.73 -6.58 35.92 27.48 coo 29.72 46.46 83.60 30.79 47.36 81.99 3.03 33.25 23.92 5.06 33.14 23.36 coo 36.89 44.91 74.55 37.33 48.94 79.01 -0.06 28.25 32.86 0.77 33.04 34.82 1gtx_c03 source 1gtx 4-AMINOBUTYRATE AMINOTRANSFERASE : 2 hits 1gtx_c03 naa= 3 ULMN 3 1gz6_c00 ESTRADIOL 17 BETA-DEHYDROGENASE 4 user 1 3 # 1 A 151 SER A 224 SER^? 7.40 O3 SO4 A 243 A 164 TYR A 222 TYR^? 7.75 O4 SO4 A 243 A 168 LYS A 211 LYS^? 6.62 O3 SO4 A 243 coo 32.37 52.40 49.35 31.32 53.88 47.74 18.13 2.56 1.79 18.41 0.79 3.71 coo 29.69 55.04 42.83 31.98 53.56 43.49 23.05 0.50 5.53 21.22 0.35 7.67 coo 26.96 50.99 47.03 31.03 48.83 44.33 17.59 6.59 4.81 17.28 1.50 8.69 ULMN 3 1gz6_c00 ESTRADIOL 17 BETA-DEHYDROGENASE 4 user 2 3 # 2 A 151 SER B 224 SER^? 7.35 O1 SO4 B 243 A 164 TYR B 222 TYR^? 7.39 O1 SO4 B 243 A 168 LYS B 211 LYS^? 7.04 O1 SO4 B 243 coo 32.37 52.40 49.35 31.32 53.88 47.74 -4.24 20.16 15.05 -2.83 21.89 16.14 coo 29.69 55.04 42.83 31.98 53.56 43.49 -3.31 22.23 21.14 -0.55 22.44 20.59 coo 26.96 50.99 47.03 31.03 48.83 44.33 -1.16 16.10 16.00 2.65 20.89 17.79 1gz6_c00 source 1gz6 ESTRADIOL 17 BETA-DEHYDROGENASE 4 : 2 hits 1gz6_c00 naa= 3 ULMN 3 1gz6_c01 ESTRADIOL 17 BETA-DEHYDROGENASE 4 user 1 3 # 1 B 151 SER A 224 SER^? 7.40 O3 SO4 A 243 B 164 TYR A 222 TYR^? 7.75 O4 SO4 A 243 B 168 LYS A 211 LYS^? 6.62 O3 SO4 A 243 coo 13.08 50.93 56.67 13.12 48.99 55.27 18.13 2.56 1.79 18.41 0.79 3.71 coo 11.52 46.03 51.32 10.06 47.90 52.76 23.05 0.50 5.53 21.22 0.35 7.67 coo 15.72 50.86 51.22 10.77 52.35 51.39 17.59 6.59 4.81 17.28 1.50 8.69 ULMN 3 1gz6_c01 ESTRADIOL 17 BETA-DEHYDROGENASE 4 user 2 3 # 2 B 151 SER B 224 SER^? 7.35 O1 SO4 B 243 B 164 TYR B 222 TYR^? 7.39 O1 SO4 B 243 B 168 LYS B 211 LYS^? 7.04 O1 SO4 B 243 coo 13.08 50.93 56.67 13.12 48.99 55.27 -4.24 20.16 15.05 -2.83 21.89 16.14 coo 11.52 46.03 51.32 10.06 47.90 52.76 -3.31 22.23 21.14 -0.55 22.44 20.59 coo 15.72 50.86 51.22 10.77 52.35 51.39 -1.16 16.10 16.00 2.65 20.89 17.79 1gz6_c01 source 1gz6 ESTRADIOL 17 BETA-DEHYDROGENASE 4 : 2 hits 1gz6_c01 naa= 3 ULMN 3 1gz6_c02 ESTRADIOL 17 BETA-DEHYDROGENASE 4 user 1 3 # 1 C 151 SER A 224 SER^? 7.40 O3 SO4 A 243 C 164 TYR A 222 TYR^? 7.75 O4 SO4 A 243 C 168 LYS A 211 LYS^? 6.62 O3 SO4 A 243 coo 11.22 34.38 82.32 11.07 36.29 83.78 18.13 2.56 1.79 18.41 0.79 3.71 coo 8.83 39.27 87.38 7.60 37.43 85.69 23.05 0.50 5.53 21.22 0.35 7.67 coo 12.98 34.46 88.14 8.11 32.96 87.14 17.59 6.59 4.81 17.28 1.50 8.69 ULMN 3 1gz6_c02 ESTRADIOL 17 BETA-DEHYDROGENASE 4 user 2 3 # 2 C 151 SER B 224 SER^? 7.35 O1 SO4 B 243 C 164 TYR B 222 TYR^? 7.39 O1 SO4 B 243 C 168 LYS B 211 LYS^? 7.04 O1 SO4 B 243 coo 11.22 34.38 82.32 11.07 36.29 83.78 -4.24 20.16 15.05 -2.83 21.89 16.14 coo 8.83 39.27 87.38 7.60 37.43 85.69 -3.31 22.23 21.14 -0.55 22.44 20.59 coo 12.98 34.46 88.14 8.11 32.96 87.14 -1.16 16.10 16.00 2.65 20.89 17.79 1gz6_c02 source 1gz6 ESTRADIOL 17 BETA-DEHYDROGENASE 4 : 2 hits 1gz6_c02 naa= 3 ULMN 3 1gz6_c03 ESTRADIOL 17 BETA-DEHYDROGENASE 4 user 1 3 # 1 D 151 SER A 224 SER^? 7.40 O3 SO4 A 243 D 164 TYR A 222 TYR^? 7.75 O4 SO4 A 243 D 168 LYS A 211 LYS^? 6.62 O3 SO4 A 243 coo 29.15 32.90 92.57 27.86 31.44 94.02 18.13 2.56 1.79 18.41 0.79 3.71 coo 25.49 30.28 98.59 27.88 31.73 98.26 23.05 0.50 5.53 21.22 0.35 7.67 coo 23.46 34.31 94.02 27.08 36.46 97.29 17.59 6.59 4.81 17.28 1.50 8.69 ULMN 3 1gz6_c03 ESTRADIOL 17 BETA-DEHYDROGENASE 4 user 2 3 # 2 D 151 SER B 224 SER^? 7.35 O1 SO4 B 243 D 164 TYR B 222 TYR^? 7.39 O1 SO4 B 243 D 168 LYS B 211 LYS^? 7.04 O1 SO4 B 243 coo 29.15 32.90 92.57 27.86 31.44 94.02 -4.24 20.16 15.05 -2.83 21.89 16.14 coo 25.49 30.28 98.59 27.88 31.73 98.26 -3.31 22.23 21.14 -0.55 22.44 20.59 coo 23.46 34.31 94.02 27.08 36.46 97.29 -1.16 16.10 16.00 2.65 20.89 17.79 1gz6_c03 source 1gz6 ESTRADIOL 17 BETA-DEHYDROGENASE 4 : 2 hits 1gz6_c03 naa= 3 ULMN 3 1hy3_c00 ESTROGEN SULFOTRANSFERASE user 1 3 # 1 A 47 LYS A 131 LYS^? 17.03 O1 SO4 A 243 A 107 HIS A 147 HIS^? 14.45 O3 SO4 A 243 A 137 SER A 105 SER^? 14.75 O1 SO4 A 243 coo 5.11 -0.55 31.43 1.36 1.90 33.24 16.33 -5.43 -3.31 16.51 -3.10 -9.13 coo 6.14 -0.73 24.01 6.05 0.83 25.40 22.73 1.14 -3.20 21.31 1.29 -4.76 coo 1.06 -1.40 35.67 2.72 0.28 35.10 17.97 -9.58 -6.03 17.57 -7.57 -7.37 ULMN 3 1hy3_c00 ESTROGEN SULFOTRANSFERASE user 2 3 # 2 A 47 LYS B 131 LYS^? 17.11 O1 SO4 B 243 A 107 HIS B 147 HIS^? 14.18 O1 SO4 B 243 A 137 SER B 105 SER^? 14.66 O3 SO4 B 243 coo 5.11 -0.55 31.43 1.36 1.90 33.24 -7.93 28.07 10.94 -13.10 25.67 8.39 coo 6.14 -0.73 24.01 6.05 0.83 25.40 -10.85 21.55 16.70 -11.51 21.37 14.71 coo 1.06 -1.40 35.67 2.72 0.28 35.10 -11.13 32.24 11.11 -11.87 30.19 10.06 1hy3_c00 source 1hy3 ESTROGEN SULFOTRANSFERASE : 2 hits 1hy3_c00 naa= 3 ULMN 3 1hy3_c01 ESTROGEN SULFOTRANSFERASE user 1 3 # 1 B 47 LYS A 131 LYS^? 17.03 O1 SO4 A 243 B 107 HIS A 101 HIS.? 5.49 O3 SO4 A 243 B 137 SER A 105 SER^? 14.75 O1 SO4 A 243 coo -20.15 -16.49 60.11 -21.92 -14.52 56.18 16.33 -5.43 -3.31 16.51 -3.10 -9.13 coo -23.43 -14.78 66.71 -24.10 -15.65 64.93 12.44 -8.38 4.91 13.10 -6.40 5.14 coo -17.90 -14.30 55.11 -19.49 -15.96 55.90 17.97 -9.58 -6.03 17.57 -7.57 -7.37 ULMN 3 1hy3_c01 ESTROGEN SULFOTRANSFERASE user 2 3 # 2 B 47 LYS A 131 LYS^? 17.03 O1 SO4 A 243 B 107 HIS A 147 HIS^? 14.45 O3 SO4 A 243 B 137 SER A 105 SER^? 14.75 O1 SO4 A 243 coo -20.15 -16.49 60.11 -21.92 -14.52 56.18 16.33 -5.43 -3.31 16.51 -3.10 -9.13 coo -23.43 -14.78 66.71 -24.10 -15.65 64.93 22.73 1.14 -3.20 21.31 1.29 -4.76 coo -17.90 -14.30 55.11 -19.49 -15.96 55.90 17.97 -9.58 -6.03 17.57 -7.57 -7.37 ULMN 3 1hy3_c01 ESTROGEN SULFOTRANSFERASE user 3 3 # 3 B 47 LYS B 131 LYS^? 17.11 O1 SO4 B 243 B 107 HIS B 147 HIS^? 14.18 O1 SO4 B 243 B 137 SER B 105 SER^? 14.66 O3 SO4 B 243 coo -20.15 -16.49 60.11 -21.92 -14.52 56.18 -7.93 28.07 10.94 -13.10 25.67 8.39 coo -23.43 -14.78 66.71 -24.10 -15.65 64.93 -10.85 21.55 16.70 -11.51 21.37 14.71 coo -17.90 -14.30 55.11 -19.49 -15.96 55.90 -11.13 32.24 11.11 -11.87 30.19 10.06 1hy3_c01 source 1hy3 ESTROGEN SULFOTRANSFERASE : 3 hits 1hy3_c01 naa= 3 ULMN 3 1i29_c01 CSDB user 1 3 # 1 A 123 HIS A 180 HIS^? 16.73 O4 SO4 A 243 A 200 ASP A 218 ASP~? 20.27 O4 SO4 A 243 A 226 LYS A 118 LYS~? 14.73 O3 SO4 A 243 coo 23.24 46.58 4.39 24.43 46.59 2.66 23.63 8.86 13.89 25.45 9.53 13.13 coo 24.51 43.28 11.18 25.17 44.50 9.58 29.47 11.44 11.56 27.66 12.20 10.67 coo 34.47 51.09 7.19 28.58 51.18 7.53 25.35 9.54 0.37 20.43 7.24 0.70 ULMN 3 1i29_c01 CSDB user 2 3 # 2 A 123 HIS A 180 HIS^? 16.73 O4 SO4 A 243 A 200 ASP A 218 ASP~? 20.27 O4 SO4 A 243 A 226 LYS A 183 LYS^? 12.80 O3 SO4 A 243 coo 23.24 46.58 4.39 24.43 46.59 2.66 23.63 8.86 13.89 25.45 9.53 13.13 coo 24.51 43.28 11.18 25.17 44.50 9.58 29.47 11.44 11.56 27.66 12.20 10.67 coo 34.47 51.09 7.19 28.58 51.18 7.53 15.64 9.91 6.99 14.95 7.19 11.14 ULMN 3 1i29_c01 CSDB user 3 3 # 3 A 123 HIS A 180 HIS^? 16.73 O4 SO4 A 243 A 200 ASP A 218 ASP~? 20.27 O4 SO4 A 243 A 226 LYS A 211 LYS^? 6.62 O3 SO4 A 243 coo 23.24 46.58 4.39 24.43 46.59 2.66 23.63 8.86 13.89 25.45 9.53 13.13 coo 24.51 43.28 11.18 25.17 44.50 9.58 29.47 11.44 11.56 27.66 12.20 10.67 coo 34.47 51.09 7.19 28.58 51.18 7.53 17.59 6.59 4.81 17.28 1.50 8.69 ULMN 3 1i29_c01 CSDB user 4 3 # 4 A 123 HIS B 180 HIS^? 17.04 O1 SO4 B 243 A 200 ASP B 218 ASP~? 20.31 O1 SO4 B 243 A 226 LYS B 118 LYS~? 15.88 O1 SO4 B 243 coo 23.24 46.58 4.39 24.43 46.59 2.66 3.74 13.87 25.77 2.21 13.26 27.09 coo 24.51 43.28 11.18 25.17 44.50 9.58 -1.00 11.19 29.58 -0.84 10.48 27.56 coo 34.47 51.09 7.19 28.58 51.18 7.53 -8.85 13.11 20.72 -7.39 14.71 15.31 ULMN 3 1i29_c01 CSDB user 5 3 # 5 A 123 HIS B 180 HIS^? 17.04 O1 SO4 B 243 A 200 ASP B 218 ASP~? 20.31 O1 SO4 B 243 A 226 LYS B 183 LYS^? 10.90 O1 SO4 B 243 coo 23.24 46.58 4.39 24.43 46.59 2.66 3.74 13.87 25.77 2.21 13.26 27.09 coo 24.51 43.28 11.18 25.17 44.50 9.58 -1.00 11.19 29.58 -0.84 10.48 27.56 coo 34.47 51.09 7.19 28.58 51.18 7.53 1.60 12.78 15.42 4.74 17.90 14.06 ULMN 3 1i29_c01 CSDB user 6 3 # 6 A 123 HIS B 180 HIS^? 17.04 O1 SO4 B 243 A 200 ASP B 218 ASP~? 20.31 O1 SO4 B 243 A 226 LYS B 211 LYS^? 7.04 O1 SO4 B 243 coo 23.24 46.58 4.39 24.43 46.59 2.66 3.74 13.87 25.77 2.21 13.26 27.09 coo 24.51 43.28 11.18 25.17 44.50 9.58 -1.00 11.19 29.58 -0.84 10.48 27.56 coo 34.47 51.09 7.19 28.58 51.18 7.53 -1.16 16.10 16.00 2.65 20.89 17.79 1i29_c01 source 1i29 CSDB : 6 hits 1i29_c01 naa= 3 ULMN 3 1i29_c03 CSDB user 1 3 # 1 A 128 VAL A 176 VAL.? 12.19 O4 SO4 A 243 A 200 ASP A 218 ASP~? 20.27 O4 SO4 A 243 A 226 LYS A 183 LYS^? 12.80 O3 SO4 A 243 coo 19.13 38.05 1.41 19.72 38.80 -0.53 29.60 -2.66 12.95 30.03 -1.44 11.08 coo 24.51 43.28 11.18 25.17 44.50 9.58 29.47 11.44 11.56 27.66 12.20 10.67 coo 34.47 51.09 7.19 28.58 51.18 7.53 15.64 9.91 6.99 14.95 7.19 11.14 ULMN 3 1i29_c03 CSDB user 2 3 # 2 A 128 VAL A 187 VAL^? 22.74 O3 SO4 A 243 A 200 ASP A 210 ASP^? 16.17 O3 SO4 A 243 A 226 LYS A 113 LYS~? 30.41 O3 SO4 A 243 coo 19.13 38.05 1.41 19.72 38.80 -0.53 6.06 11.32 -2.34 3.84 11.47 -2.37 coo 24.51 43.28 11.18 25.17 44.50 9.58 15.65 9.10 1.05 17.66 9.20 0.39 coo 34.47 51.09 7.19 28.58 51.18 7.53 26.35 9.86 -8.18 28.43 13.70 -12.96 ULMN 3 1i29_c03 CSDB user 3 3 # 3 A 128 VAL A 187 VAL^? 22.74 O3 SO4 A 243 A 200 ASP A 210 ASP^? 16.17 O3 SO4 A 243 A 226 LYS A 131 LYS^? 17.03 O1 SO4 A 243 coo 19.13 38.05 1.41 19.72 38.80 -0.53 6.06 11.32 -2.34 3.84 11.47 -2.37 coo 24.51 43.28 11.18 25.17 44.50 9.58 15.65 9.10 1.05 17.66 9.20 0.39 coo 34.47 51.09 7.19 28.58 51.18 7.53 16.33 -5.43 -3.31 16.51 -3.10 -9.13 ULMN 3 1i29_c03 CSDB user 4 3 # 4 A 128 VAL A 188 VAL^? 21.34 O3 SO4 A 243 A 200 ASP A 210 ASP^? 16.17 O3 SO4 A 243 A 226 LYS A 113 LYS~? 30.41 O3 SO4 A 243 coo 19.13 38.05 1.41 19.72 38.80 -0.53 7.28 9.80 -5.64 9.15 8.76 -5.02 coo 24.51 43.28 11.18 25.17 44.50 9.58 15.65 9.10 1.05 17.66 9.20 0.39 coo 34.47 51.09 7.19 28.58 51.18 7.53 26.35 9.86 -8.18 28.43 13.70 -12.96 ULMN 3 1i29_c03 CSDB user 5 3 # 5 A 128 VAL B 176 VAL.? 12.39 O2 SO4 B 243 A 200 ASP B 218 ASP~? 20.31 O1 SO4 B 243 A 226 LYS B 183 LYS^? 10.90 O1 SO4 B 243 coo 19.13 38.05 1.41 19.72 38.80 -0.53 0.01 25.31 30.46 -1.79 24.12 29.97 coo 24.51 43.28 11.18 25.17 44.50 9.58 -1.00 11.19 29.58 -0.84 10.48 27.56 coo 34.47 51.09 7.19 28.58 51.18 7.53 1.60 12.78 15.42 4.74 17.90 14.06 ULMN 3 1i29_c03 CSDB user 6 3 # 6 A 128 VAL B 187 VAL^? 22.90 O1 SO4 B 243 A 200 ASP B 210 ASP^? 16.02 O1 SO4 B 243 A 226 LYS B 113 LYS~? 30.21 O1 SO4 B 243 coo 19.13 38.05 1.41 19.72 38.80 -0.53 -2.08 11.44 2.50 -1.07 11.28 0.56 coo 24.51 43.28 11.18 25.17 44.50 9.58 -3.61 13.59 12.62 -5.22 13.58 13.96 coo 34.47 51.09 7.19 28.58 51.18 7.53 -16.92 12.76 17.51 -22.08 8.80 17.21 ULMN 3 1i29_c03 CSDB user 7 3 # 7 A 128 VAL B 187 VAL^? 22.90 O1 SO4 B 243 A 200 ASP B 210 ASP^? 16.02 O1 SO4 B 243 A 226 LYS B 131 LYS^? 17.11 O1 SO4 B 243 coo 19.13 38.05 1.41 19.72 38.80 -0.53 -2.08 11.44 2.50 -1.07 11.28 0.56 coo 24.51 43.28 11.18 25.17 44.50 9.58 -3.61 13.59 12.62 -5.22 13.58 13.96 coo 34.47 51.09 7.19 28.58 51.18 7.53 -7.93 28.07 10.94 -13.10 25.67 8.39 ULMN 3 1i29_c03 CSDB user 8 3 # 8 A 128 VAL B 188 VAL^? 21.52 O1 SO4 B 243 A 200 ASP B 210 ASP^? 16.02 O1 SO4 B 243 A 226 LYS B 113 LYS~? 30.21 O1 SO4 B 243 coo 19.13 38.05 1.41 19.72 38.80 -0.53 -5.60 12.85 1.99 -5.92 13.87 3.88 coo 24.51 43.28 11.18 25.17 44.50 9.58 -3.61 13.59 12.62 -5.22 13.58 13.96 coo 34.47 51.09 7.19 28.58 51.18 7.53 -16.92 12.76 17.51 -22.08 8.80 17.21 1i29_c03 source 1i29 CSDB : 8 hits 1i29_c03 naa= 3 ULMN 3 1i7q_c03 TRPG user 1 3 # 1 D 85 CYH A 223 CYH^? 13.89 O3 SO4 A 243 D 172 HIS A 147 HIS^? 14.45 O3 SO4 A 243 D 174 GLU A 129 GLU^? 16.53 O1 SO4 A 243 coo 38.44 -29.79 42.52 39.97 -28.79 40.39 21.69 3.75 2.44 22.79 4.57 -0.06 coo 37.08 -24.45 39.81 38.95 -25.31 40.23 22.73 1.14 -3.20 21.31 1.29 -4.76 coo 35.57 -20.34 43.24 35.94 -22.32 42.53 20.62 -2.18 -6.03 20.44 -1.20 -7.86 ULMN 3 1i7q_c03 TRPG user 2 3 # 2 D 85 CYH B 223 CYH^? 13.65 O1 SO4 B 243 D 172 HIS B 147 HIS^? 14.18 O1 SO4 B 243 D 174 GLU B 129 GLU^? 16.54 O1 SO4 B 243 coo 38.44 -29.79 42.52 39.97 -28.79 40.39 -5.44 18.90 18.45 -8.10 18.07 18.26 coo 37.08 -24.45 39.81 38.95 -25.31 40.23 -10.85 21.55 16.70 -11.51 21.37 14.71 coo 35.57 -20.34 43.24 35.94 -22.32 42.53 -12.39 24.89 13.45 -13.91 23.80 12.41 1i7q_c03 source 1i7q TRPG : 2 hits 1i7q_c03 naa= 3 ULMN 3 1idt_c00 MINOR FMN-DEPENDENT NITROREDUCTASE user 1 3 # 1 A 14 LYS A 113 LYS~? 30.41 O3 SO4 A 243 A 74 LYS A 118 LYS~? 14.73 O3 SO4 A 243 A 165 GLU A 129 GLU^? 16.53 O1 SO4 A 243 coo 25.34 -34.49 45.28 21.58 -36.23 48.72 26.35 9.86 -8.18 28.43 13.70 -12.96 coo 27.69 -28.18 47.27 24.45 -33.01 49.69 25.35 9.54 0.37 20.43 7.24 0.70 coo 15.58 -28.67 55.46 14.00 -29.94 56.12 20.62 -2.18 -6.03 20.44 -1.20 -7.86 ULMN 3 1idt_c00 MINOR FMN-DEPENDENT NITROREDUCTASE user 2 3 # 2 A 14 LYS A 113 LYS~? 30.41 O3 SO4 A 243 A 74 LYS A 118 LYS~? 14.73 O3 SO4 A 243 A 165 GLU A 208 GLU^? 18.11 O3 SO4 A 243 coo 25.34 -34.49 45.28 21.58 -36.23 48.72 26.35 9.86 -8.18 28.43 13.70 -12.96 coo 27.69 -28.18 47.27 24.45 -33.01 49.69 25.35 9.54 0.37 20.43 7.24 0.70 coo 15.58 -28.67 55.46 14.00 -29.94 56.12 11.78 7.44 -1.74 12.80 8.58 -3.28 ULMN 3 1idt_c00 MINOR FMN-DEPENDENT NITROREDUCTASE user 3 3 # 3 A 14 LYS A 118 LYS~? 14.73 O3 SO4 A 243 A 74 LYS A 113 LYS~? 30.41 O3 SO4 A 243 A 165 GLU A 129 GLU^? 16.53 O1 SO4 A 243 coo 25.34 -34.49 45.28 21.58 -36.23 48.72 25.35 9.54 0.37 20.43 7.24 0.70 coo 27.69 -28.18 47.27 24.45 -33.01 49.69 26.35 9.86 -8.18 28.43 13.70 -12.96 coo 15.58 -28.67 55.46 14.00 -29.94 56.12 20.62 -2.18 -6.03 20.44 -1.20 -7.86 ULMN 3 1idt_c00 MINOR FMN-DEPENDENT NITROREDUCTASE user 4 3 # 4 A 14 LYS A 118 LYS~? 14.73 O3 SO4 A 243 A 74 LYS A 113 LYS~? 30.41 O3 SO4 A 243 A 165 GLU A 208 GLU^? 18.11 O3 SO4 A 243 coo 25.34 -34.49 45.28 21.58 -36.23 48.72 25.35 9.54 0.37 20.43 7.24 0.70 coo 27.69 -28.18 47.27 24.45 -33.01 49.69 26.35 9.86 -8.18 28.43 13.70 -12.96 coo 15.58 -28.67 55.46 14.00 -29.94 56.12 11.78 7.44 -1.74 12.80 8.58 -3.28 ULMN 3 1idt_c00 MINOR FMN-DEPENDENT NITROREDUCTASE user 5 3 # 5 A 14 LYS B 113 LYS~? 30.21 O1 SO4 B 243 A 74 LYS B 118 LYS~? 15.88 O1 SO4 B 243 A 165 GLU B 129 GLU^? 16.54 O1 SO4 B 243 coo 25.34 -34.49 45.28 21.58 -36.23 48.72 -16.92 12.76 17.51 -22.08 8.80 17.21 coo 27.69 -28.18 47.27 24.45 -33.01 49.69 -8.85 13.11 20.72 -7.39 14.71 15.31 coo 15.58 -28.67 55.46 14.00 -29.94 56.12 -12.39 24.89 13.45 -13.91 23.80 12.41 ULMN 3 1idt_c00 MINOR FMN-DEPENDENT NITROREDUCTASE user 6 3 # 6 A 14 LYS B 113 LYS~? 30.21 O1 SO4 B 243 A 74 LYS B 118 LYS~? 15.88 O1 SO4 B 243 A 165 GLU B 208 GLU^? 18.08 O1 SO4 B 243 coo 25.34 -34.49 45.28 21.58 -36.23 48.72 -16.92 12.76 17.51 -22.08 8.80 17.21 coo 27.69 -28.18 47.27 24.45 -33.01 49.69 -8.85 13.11 20.72 -7.39 14.71 15.31 coo 15.58 -28.67 55.46 14.00 -29.94 56.12 -4.22 15.23 7.76 -6.03 14.17 7.93 ULMN 3 1idt_c00 MINOR FMN-DEPENDENT NITROREDUCTASE user 7 3 # 7 A 14 LYS B 118 LYS~? 15.88 O1 SO4 B 243 A 74 LYS B 113 LYS~? 30.21 O1 SO4 B 243 A 165 GLU B 129 GLU^? 16.54 O1 SO4 B 243 coo 25.34 -34.49 45.28 21.58 -36.23 48.72 -8.85 13.11 20.72 -7.39 14.71 15.31 coo 27.69 -28.18 47.27 24.45 -33.01 49.69 -16.92 12.76 17.51 -22.08 8.80 17.21 coo 15.58 -28.67 55.46 14.00 -29.94 56.12 -12.39 24.89 13.45 -13.91 23.80 12.41 ULMN 3 1idt_c00 MINOR FMN-DEPENDENT NITROREDUCTASE user 8 3 # 8 A 14 LYS B 118 LYS~? 15.88 O1 SO4 B 243 A 74 LYS B 113 LYS~? 30.21 O1 SO4 B 243 A 165 GLU B 208 GLU^? 18.08 O1 SO4 B 243 coo 25.34 -34.49 45.28 21.58 -36.23 48.72 -8.85 13.11 20.72 -7.39 14.71 15.31 coo 27.69 -28.18 47.27 24.45 -33.01 49.69 -16.92 12.76 17.51 -22.08 8.80 17.21 coo 15.58 -28.67 55.46 14.00 -29.94 56.12 -4.22 15.23 7.76 -6.03 14.17 7.93 1idt_c00 source 1idt MINOR FMN-DEPENDENT NITROREDUCTASE : 8 hits 1idt_c00 naa= 3 ULMN 3 1idt_c01 MINOR FMN-DEPENDENT NITROREDUCTASE user 1 3 # 1 B 14 LYS A 113 LYS~? 30.41 O3 SO4 A 243 B 74 LYS A 118 LYS~? 14.73 O3 SO4 A 243 B 165 GLU A 208 GLU^? 18.11 O3 SO4 A 243 coo -11.70 -18.16 41.28 -8.37 -16.95 44.27 26.35 9.86 -8.18 28.43 13.70 -12.96 coo -14.25 -24.10 43.55 -12.53 -18.94 44.42 25.35 9.54 0.37 20.43 7.24 0.70 coo -3.83 -22.11 54.11 -2.14 -20.82 54.20 11.78 7.44 -1.74 12.80 8.58 -3.28 ULMN 3 1idt_c01 MINOR FMN-DEPENDENT NITROREDUCTASE user 2 3 # 2 B 14 LYS A 118 LYS~? 14.73 O3 SO4 A 243 B 74 LYS A 113 LYS~? 30.41 O3 SO4 A 243 B 165 GLU A 129 GLU^? 16.53 O1 SO4 A 243 coo -11.70 -18.16 41.28 -8.37 -16.95 44.27 25.35 9.54 0.37 20.43 7.24 0.70 coo -14.25 -24.10 43.55 -12.53 -18.94 44.42 26.35 9.86 -8.18 28.43 13.70 -12.96 coo -3.83 -22.11 54.11 -2.14 -20.82 54.20 20.62 -2.18 -6.03 20.44 -1.20 -7.86 ULMN 3 1idt_c01 MINOR FMN-DEPENDENT NITROREDUCTASE user 3 3 # 3 B 14 LYS A 118 LYS~? 14.73 O3 SO4 A 243 B 74 LYS A 113 LYS~? 30.41 O3 SO4 A 243 B 165 GLU A 208 GLU^? 18.11 O3 SO4 A 243 coo -11.70 -18.16 41.28 -8.37 -16.95 44.27 25.35 9.54 0.37 20.43 7.24 0.70 coo -14.25 -24.10 43.55 -12.53 -18.94 44.42 26.35 9.86 -8.18 28.43 13.70 -12.96 coo -3.83 -22.11 54.11 -2.14 -20.82 54.20 11.78 7.44 -1.74 12.80 8.58 -3.28 ULMN 3 1idt_c01 MINOR FMN-DEPENDENT NITROREDUCTASE user 4 3 # 4 B 14 LYS B 113 LYS~? 30.21 O1 SO4 B 243 B 74 LYS B 118 LYS~? 15.88 O1 SO4 B 243 B 165 GLU B 208 GLU^? 18.08 O1 SO4 B 243 coo -11.70 -18.16 41.28 -8.37 -16.95 44.27 -16.92 12.76 17.51 -22.08 8.80 17.21 coo -14.25 -24.10 43.55 -12.53 -18.94 44.42 -8.85 13.11 20.72 -7.39 14.71 15.31 coo -3.83 -22.11 54.11 -2.14 -20.82 54.20 -4.22 15.23 7.76 -6.03 14.17 7.93 ULMN 3 1idt_c01 MINOR FMN-DEPENDENT NITROREDUCTASE user 5 3 # 5 B 14 LYS B 118 LYS~? 15.88 O1 SO4 B 243 B 74 LYS B 113 LYS~? 30.21 O1 SO4 B 243 B 165 GLU B 129 GLU^? 16.54 O1 SO4 B 243 coo -11.70 -18.16 41.28 -8.37 -16.95 44.27 -8.85 13.11 20.72 -7.39 14.71 15.31 coo -14.25 -24.10 43.55 -12.53 -18.94 44.42 -16.92 12.76 17.51 -22.08 8.80 17.21 coo -3.83 -22.11 54.11 -2.14 -20.82 54.20 -12.39 24.89 13.45 -13.91 23.80 12.41 ULMN 3 1idt_c01 MINOR FMN-DEPENDENT NITROREDUCTASE user 6 3 # 6 B 14 LYS B 118 LYS~? 15.88 O1 SO4 B 243 B 74 LYS B 113 LYS~? 30.21 O1 SO4 B 243 B 165 GLU B 208 GLU^? 18.08 O1 SO4 B 243 coo -11.70 -18.16 41.28 -8.37 -16.95 44.27 -8.85 13.11 20.72 -7.39 14.71 15.31 coo -14.25 -24.10 43.55 -12.53 -18.94 44.42 -16.92 12.76 17.51 -22.08 8.80 17.21 coo -3.83 -22.11 54.11 -2.14 -20.82 54.20 -4.22 15.23 7.76 -6.03 14.17 7.93 1idt_c01 source 1idt MINOR FMN-DEPENDENT NITROREDUCTASE : 6 hits 1idt_c01 naa= 3 ULMN 3 1ig8_c00 HEXOKINASE PII user 1 3 # 1 A 158 SER A 224 SER^? 7.40 O3 SO4 A 243 A 173 ARG A 132 ARG^? -2.74 O1 SO4 A 243s A 211 ASP A 210 ASP^? 16.17 O3 SO4 A 243 coo 22.72 76.24 0.23 24.60 76.86 -1.25 18.13 2.56 1.79 18.41 0.79 3.71 coo 18.77 77.82 11.69 20.55 80.22 10.73 16.18 -7.91 2.07 16.78 -6.68 4.89 coo 26.87 77.59 -3.91 27.39 79.28 -2.83 15.65 9.10 1.05 17.66 9.20 0.39 ULMN 3 1ig8_c00 HEXOKINASE PII user 2 3 # 2 A 158 SER B 224 SER^? 7.35 O1 SO4 B 243 A 173 ARG B 132 ARG^? -2.94 O3 SO4 B 243s A 211 ASP B 210 ASP^? 16.02 O1 SO4 B 243 coo 22.72 76.24 0.23 24.60 76.86 -1.25 -4.24 20.16 15.05 -2.83 21.89 16.14 coo 18.77 77.82 11.69 20.55 80.22 10.73 -3.03 30.55 13.28 -1.00 29.32 15.28 coo 26.87 77.59 -3.91 27.39 79.28 -2.83 -3.61 13.59 12.62 -5.22 13.58 13.96 1ig8_c00 source 1ig8 HEXOKINASE PII : 2 hits 1ig8_c00 naa= 3 ULMN 3 1itx_c00 GLYCOSYL HYDROLASE user 1 3 # 1 A 202 ASP A 107 ASP^? 18.51 O1 SO4 A 243 A 204 GLU A 129 GLU^? 16.53 O1 SO4 A 243 A 279 TYR A 148 TYR^? 8.27 O1 SO4 A 243 coo 5.85 5.60 30.32 5.00 7.49 29.88 23.22 -6.70 -8.91 22.86 -8.00 -10.43 coo 7.79 1.83 27.81 9.08 3.25 26.92 20.62 -2.18 -6.03 20.44 -1.20 -7.86 coo 8.22 7.77 18.64 7.58 8.47 21.28 25.02 -3.19 2.22 22.65 -3.79 3.58 ULMN 3 1itx_c00 GLYCOSYL HYDROLASE user 2 3 # 2 A 202 ASP A 107 ASP^? 18.51 O1 SO4 A 243 A 204 GLU A 129 GLU^? 16.53 O1 SO4 A 243 A 279 TYR A 197 TYR~? 17.30 O1 SO4 A 243 coo 5.85 5.60 30.32 5.00 7.49 29.88 23.22 -6.70 -8.91 22.86 -8.00 -10.43 coo 7.79 1.83 27.81 9.08 3.25 26.92 20.62 -2.18 -6.03 20.44 -1.20 -7.86 coo 8.22 7.77 18.64 7.58 8.47 21.28 9.27 -5.67 -7.32 11.22 -6.86 -8.96 ULMN 3 1itx_c00 GLYCOSYL HYDROLASE user 3 3 # 3 A 202 ASP B 107 ASP^? 18.02 O3 SO4 B 243 A 204 GLU B 129 GLU^? 16.54 O1 SO4 B 243 A 279 TYR B 148 TYR^? 8.32 O1 SO4 B 243 coo 5.85 5.60 30.32 5.00 7.49 29.88 -16.27 29.29 14.31 -16.58 30.52 12.63 coo 7.79 1.83 27.81 9.08 3.25 26.92 -12.39 24.89 13.45 -13.91 23.80 12.41 coo 8.22 7.77 18.64 7.58 8.47 21.28 -7.17 25.88 21.30 -4.84 26.54 19.90 1itx_c00 source 1itx GLYCOSYL HYDROLASE : 3 hits 1itx_c00 naa= 3 ULMN 3 1j7g_c00 D-TYROSYL-TRNA(TYR) DEACYLASE user 1 3 # 1 A 78 GLN A 219 GLN^? 18.87 O4 SO4 A 243 A 79 PHE A 214 PHE^? 16.42 O4 SO4 A 243 A 80 THR A 215 THR^? 14.39 O4 SO4 A 243 coo 18.18 6.97 -1.14 17.20 5.70 -2.56 32.01 5.25 8.52 32.81 6.24 6.79 coo 24.87 4.39 -2.11 26.74 2.89 -0.67 25.42 8.26 9.60 24.80 10.09 7.51 coo 21.26 8.65 -4.24 19.54 7.67 -5.04 28.17 4.34 12.79 29.62 2.69 12.72 ULMN 3 1j7g_c00 D-TYROSYL-TRNA(TYR) DEACYLASE user 2 3 # 2 A 78 GLN B 219 GLN^? 19.19 O1 SO4 B 243 A 79 PHE B 214 PHE^? 16.19 O1 SO4 B 243 A 80 THR B 215 THR^? 14.70 O2 SO4 B 243 coo 18.18 6.97 -1.14 17.20 5.70 -2.56 -4.94 17.44 30.35 -6.90 16.60 30.36 coo 24.87 4.39 -2.11 26.74 2.89 -0.67 -0.87 14.52 25.18 -2.34 12.71 23.57 coo 21.26 8.65 -4.24 19.54 7.67 -5.04 0.58 18.40 29.12 -0.17 20.01 30.35 1j7g_c00 source 1j7g D-TYROSYL-TRNA(TYR) DEACYLASE : 2 hits 1j7g_c00 naa= 3 ULMN 3 1jkm_c00 BREFELDIN A ESTERASE user 1 3 # 1 A 202 SER A 105 SER^? 14.75 O1 SO4 A 243 A 308 ASP A 157 ASP~? 15.53 O1 SO4 A 243 A 338 HIS A 106 HIS^? 13.08 O1 SO4 A 243 coo 37.44 15.05 21.90 37.18 17.02 20.71 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo 45.75 18.77 19.41 43.72 18.70 19.99 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo 41.13 18.39 17.83 39.67 17.70 19.17 22.50 -10.50 -3.88 23.13 -12.51 -3.91 ULMN 3 1jkm_c00 BREFELDIN A ESTERASE user 2 3 # 2 A 202 SER B 105 SER^? 14.66 O3 SO4 B 243 A 308 ASP B 157 ASP~? 15.61 O3 SO4 B 243 A 338 HIS B 106 HIS^? 13.01 O3 SO4 B 243 coo 37.44 15.05 21.90 37.18 17.02 20.71 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 45.75 18.77 19.41 43.72 18.70 19.99 -12.32 32.41 21.01 -13.75 33.02 22.44 coo 41.13 18.39 17.83 39.67 17.70 19.17 -11.40 33.04 16.07 -11.74 35.05 16.56 1jkm_c00 source 1jkm BREFELDIN A ESTERASE : 2 hits 1jkm_c00 naa= 3 ULMN 3 1jkm_c01 BREFELDIN A ESTERASE user 1 3 # 1 B 202 SER A 105 SER^? 14.75 O1 SO4 A 243 B 308 ASP A 157 ASP~? 15.53 O1 SO4 A 243 B 338 HIS A 106 HIS^? 13.08 O1 SO4 A 243 coo 67.81 2.11 21.29 69.09 3.00 23.04 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo 64.20 9.21 26.15 65.67 7.96 25.24 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo 66.92 5.20 26.82 67.69 4.22 25.14 22.50 -10.50 -3.88 23.13 -12.51 -3.91 ULMN 3 1jkm_c01 BREFELDIN A ESTERASE user 2 3 # 2 B 202 SER B 105 SER^? 14.66 O3 SO4 B 243 B 308 ASP B 157 ASP~? 15.61 O3 SO4 B 243 B 338 HIS B 106 HIS^? 13.01 O3 SO4 B 243 coo 67.81 2.11 21.29 69.09 3.00 23.04 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 64.20 9.21 26.15 65.67 7.96 25.24 -12.32 32.41 21.01 -13.75 33.02 22.44 coo 66.92 5.20 26.82 67.69 4.22 25.14 -11.40 33.04 16.07 -11.74 35.05 16.56 1jkm_c01 source 1jkm BREFELDIN A ESTERASE : 2 hits 1jkm_c01 naa= 3 ULMN 3 1joa_c00 NADH PEROXIDASE user 1 3 # 1 10 HIS A 229 HIS^? 22.39 O3 SO4 A 243 41 SER A 195 SER~? 24.26 O3 SO4 A 243 303 ARG A 232 ARG.? 20.27 O3 SO4 A 243 coo 62.94 54.74 73.45 64.13 56.17 74.27 -0.05 2.05 -3.08 -1.62 2.78 -4.27 coo 65.67 62.51 70.93 64.56 61.94 68.74 4.31 -1.23 -10.07 4.20 -1.50 -12.49 coo 63.38 52.38 77.01 66.48 52.75 76.49 -0.55 -1.37 -0.24 0.04 -2.25 -3.11 ULMN 3 1joa_c00 NADH PEROXIDASE user 2 3 # 2 10 HIS B 229 HIS^? 22.78 O1 SO4 B 243 41 SER B 195 SER~? 24.29 O1 SO4 B 243 303 ARG B 232 ARG.? 20.69 O1 SO4 B 243 coo 62.94 54.74 73.45 64.13 56.17 74.27 0.17 20.57 -3.28 -0.12 19.82 -5.21 coo 65.67 62.51 70.93 64.56 61.94 68.74 -8.00 23.84 -2.71 -9.97 24.14 -3.95 coo 63.38 52.38 77.01 66.48 52.75 76.49 2.95 23.97 -2.41 0.09 24.88 -3.25 1joa_c00 source 1joa NADH PEROXIDASE : 2 hits 1joa_c00 naa= 3 ULMN 3 1js4_c00 ENDO-EXOCELLULASE E4 user 1 3 # 1 A 55 ASP A 201 ASP.? 28.67 O3 SO4 A 243 A 58 ASP A 204 ASP.? 25.99 O3 SO4 A 243 A 424 GLU A 194 GLU~? 19.96 O3 SO4 A 243 coo 58.42 47.76 20.67 58.01 49.10 19.12 -1.72 1.66 -11.39 -3.36 0.47 -11.68 coo 58.59 41.80 18.81 58.94 43.89 18.94 0.25 4.29 -7.71 -1.48 3.39 -8.50 coo 52.85 46.34 13.34 54.09 44.97 14.42 8.83 1.58 -7.66 9.92 2.44 -9.22 1js4_c00 source 1js4 ENDO-EXOCELLULASE E4 : 1 hits 1js4_c00 naa= 3 ULMN 3 1knp_c00 L-ASPARTATE OXIDASE user 1 3 # 1 A 290 ARG A 132 ARG^? -2.74 O1 SO4 A 243s A 351 HIS A 101 HIS.? 5.49 O3 SO4 A 243 A 386 LEU A 104 LEU^? 13.26 O1 SO4 A 243 coo 57.36 53.34 128.83 58.45 50.56 128.34 16.18 -7.91 2.07 16.78 -6.68 4.89 coo 60.60 50.64 133.59 60.63 48.82 132.56 12.44 -8.38 4.91 13.10 -6.40 5.14 coo 63.28 54.23 126.45 63.53 52.07 126.70 13.85 -8.71 -5.27 12.12 -7.74 -4.54 ULMN 3 1knp_c00 L-ASPARTATE OXIDASE user 2 3 # 2 A 290 ARG A 132 ARG^? -2.74 O1 SO4 A 243s A 351 HIS A 101 HIS.? 5.49 O3 SO4 A 243 A 386 LEU A 130 LEU^? 7.88 O1 SO4 A 243 coo 57.36 53.34 128.83 58.45 50.56 128.34 16.18 -7.91 2.07 16.78 -6.68 4.89 coo 60.60 50.64 133.59 60.63 48.82 132.56 12.44 -8.38 4.91 13.10 -6.40 5.14 coo 63.28 54.23 126.45 63.53 52.07 126.70 20.36 -5.60 -0.86 19.43 -7.11 0.44 ULMN 3 1knp_c00 L-ASPARTATE OXIDASE user 3 3 # 3 A 290 ARG A 132 ARG^? -2.74 O1 SO4 A 243s A 351 HIS A 102 HIS^? 13.43 O1 SO4 A 243 A 386 LEU A 134 LEU^? 8.61 O3 SO4 A 243 coo 57.36 53.34 128.83 58.45 50.56 128.34 16.18 -7.91 2.07 16.78 -6.68 4.89 coo 60.60 50.64 133.59 60.63 48.82 132.56 10.89 -12.56 -1.72 11.39 -13.56 -3.50 coo 63.28 54.23 126.45 63.53 52.07 126.70 8.76 -5.84 3.97 8.69 -6.06 6.17 ULMN 3 1knp_c00 L-ASPARTATE OXIDASE user 4 3 # 4 A 290 ARG A 232 ARG.? 20.27 O3 SO4 A 243 A 351 HIS A 229 HIS^? 22.39 O3 SO4 A 243 A 386 LEU A 141 LEU^? 13.35 O3 SO4 A 243 coo 57.36 53.34 128.83 58.45 50.56 128.34 -0.55 -1.37 -0.24 0.04 -2.25 -3.11 coo 60.60 50.64 133.59 60.63 48.82 132.56 -0.05 2.05 -3.08 -1.62 2.78 -4.27 coo 63.28 54.23 126.45 63.53 52.07 126.70 3.76 -3.67 3.51 4.30 -2.85 5.44 ULMN 3 1knp_c00 L-ASPARTATE OXIDASE user 5 3 # 5 A 290 ARG B 132 ARG^? -2.94 O3 SO4 B 243s A 351 HIS B 101 HIS.? 5.53 O4 SO4 B 243 A 386 LEU B 104 LEU^? 13.54 O3 SO4 B 243 coo 57.36 53.34 128.83 58.45 50.56 128.34 -3.03 30.55 13.28 -1.00 29.32 15.28 coo 60.60 50.64 133.59 60.63 48.82 132.56 1.10 31.39 11.62 1.04 29.37 12.19 coo 63.28 54.23 126.45 63.53 52.07 126.70 -8.57 31.36 7.89 -7.13 30.93 6.32 ULMN 3 1knp_c00 L-ASPARTATE OXIDASE user 6 3 # 6 A 290 ARG B 132 ARG^? -2.94 O3 SO4 B 243s A 351 HIS B 101 HIS.? 5.53 O4 SO4 B 243 A 386 LEU B 130 LEU^? 7.99 O3 SO4 B 243 coo 57.36 53.34 128.83 58.45 50.56 128.34 -3.03 30.55 13.28 -1.00 29.32 15.28 coo 60.60 50.64 133.59 60.63 48.82 132.56 1.10 31.39 11.62 1.04 29.37 12.19 coo 63.28 54.23 126.45 63.53 52.07 126.70 -7.71 28.25 15.68 -6.15 29.78 15.51 ULMN 3 1knp_c00 L-ASPARTATE OXIDASE user 7 3 # 7 A 290 ARG B 132 ARG^? -2.94 O3 SO4 B 243s A 351 HIS B 102 HIS^? 13.40 O3 SO4 B 243 A 386 LEU B 134 LEU^? 9.05 O4 SO4 B 243 coo 57.36 53.34 128.83 58.45 50.56 128.34 -3.03 30.55 13.28 -1.00 29.32 15.28 coo 60.60 50.64 133.59 60.63 48.82 132.56 -4.13 35.26 6.99 -5.90 36.34 6.69 coo 63.28 54.23 126.45 63.53 52.07 126.70 2.05 28.46 7.83 4.23 28.62 8.18 ULMN 3 1knp_c00 L-ASPARTATE OXIDASE user 8 3 # 8 A 290 ARG B 232 ARG.? 20.69 O1 SO4 B 243 A 351 HIS B 229 HIS^? 22.78 O1 SO4 B 243 A 386 LEU B 141 LEU^? 14.30 O4 SO4 B 243 coo 57.36 53.34 128.83 58.45 50.56 128.34 2.95 23.97 -2.41 0.09 24.88 -3.25 coo 60.60 50.64 133.59 60.63 48.82 132.56 0.17 20.57 -3.28 -0.12 19.82 -5.21 coo 63.28 54.23 126.45 63.53 52.07 126.70 4.07 26.44 3.30 5.85 25.23 3.32 1knp_c00 source 1knp L-ASPARTATE OXIDASE : 8 hits 1knp_c00 naa= 3 ULMN 3 1kqc_c00 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 1 3 # 1 A 14 LYS A 113 LYS~? 30.41 O3 SO4 A 243 A 74 LYS A 118 LYS~? 14.73 O3 SO4 A 243 A 165 GLU A 129 GLU^? 16.53 O1 SO4 A 243 coo 24.97 5.82 58.78 26.79 1.97 55.46 26.35 9.86 -8.18 28.43 13.70 -12.96 coo 19.46 3.44 61.93 23.95 1.12 60.13 25.35 9.54 0.37 20.43 7.24 0.70 coo 19.32 -6.09 50.65 20.51 -6.62 48.98 20.62 -2.18 -6.03 20.44 -1.20 -7.86 ULMN 3 1kqc_c00 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 2 3 # 2 A 14 LYS A 113 LYS~? 30.41 O3 SO4 A 243 A 74 LYS A 118 LYS~? 14.73 O3 SO4 A 243 A 165 GLU A 208 GLU^? 18.11 O3 SO4 A 243 coo 24.97 5.82 58.78 26.79 1.97 55.46 26.35 9.86 -8.18 28.43 13.70 -12.96 coo 19.46 3.44 61.93 23.95 1.12 60.13 25.35 9.54 0.37 20.43 7.24 0.70 coo 19.32 -6.09 50.65 20.51 -6.62 48.98 11.78 7.44 -1.74 12.80 8.58 -3.28 ULMN 3 1kqc_c00 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 3 3 # 3 A 14 LYS A 118 LYS~? 14.73 O3 SO4 A 243 A 74 LYS A 113 LYS~? 30.41 O3 SO4 A 243 A 165 GLU A 129 GLU^? 16.53 O1 SO4 A 243 coo 24.97 5.82 58.78 26.79 1.97 55.46 25.35 9.54 0.37 20.43 7.24 0.70 coo 19.46 3.44 61.93 23.95 1.12 60.13 26.35 9.86 -8.18 28.43 13.70 -12.96 coo 19.32 -6.09 50.65 20.51 -6.62 48.98 20.62 -2.18 -6.03 20.44 -1.20 -7.86 ULMN 3 1kqc_c00 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 4 3 # 4 A 14 LYS A 118 LYS~? 14.73 O3 SO4 A 243 A 74 LYS A 113 LYS~? 30.41 O3 SO4 A 243 A 165 GLU A 208 GLU^? 18.11 O3 SO4 A 243 coo 24.97 5.82 58.78 26.79 1.97 55.46 25.35 9.54 0.37 20.43 7.24 0.70 coo 19.46 3.44 61.93 23.95 1.12 60.13 26.35 9.86 -8.18 28.43 13.70 -12.96 coo 19.32 -6.09 50.65 20.51 -6.62 48.98 11.78 7.44 -1.74 12.80 8.58 -3.28 ULMN 3 1kqc_c00 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 5 3 # 5 A 14 LYS B 113 LYS~? 30.21 O1 SO4 B 243 A 74 LYS B 118 LYS~? 15.88 O1 SO4 B 243 A 165 GLU B 129 GLU^? 16.54 O1 SO4 B 243 coo 24.97 5.82 58.78 26.79 1.97 55.46 -16.92 12.76 17.51 -22.08 8.80 17.21 coo 19.46 3.44 61.93 23.95 1.12 60.13 -8.85 13.11 20.72 -7.39 14.71 15.31 coo 19.32 -6.09 50.65 20.51 -6.62 48.98 -12.39 24.89 13.45 -13.91 23.80 12.41 ULMN 3 1kqc_c00 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 6 3 # 6 A 14 LYS B 113 LYS~? 30.21 O1 SO4 B 243 A 74 LYS B 118 LYS~? 15.88 O1 SO4 B 243 A 165 GLU B 208 GLU^? 18.08 O1 SO4 B 243 coo 24.97 5.82 58.78 26.79 1.97 55.46 -16.92 12.76 17.51 -22.08 8.80 17.21 coo 19.46 3.44 61.93 23.95 1.12 60.13 -8.85 13.11 20.72 -7.39 14.71 15.31 coo 19.32 -6.09 50.65 20.51 -6.62 48.98 -4.22 15.23 7.76 -6.03 14.17 7.93 ULMN 3 1kqc_c00 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 7 3 # 7 A 14 LYS B 118 LYS~? 15.88 O1 SO4 B 243 A 74 LYS B 113 LYS~? 30.21 O1 SO4 B 243 A 165 GLU B 129 GLU^? 16.54 O1 SO4 B 243 coo 24.97 5.82 58.78 26.79 1.97 55.46 -8.85 13.11 20.72 -7.39 14.71 15.31 coo 19.46 3.44 61.93 23.95 1.12 60.13 -16.92 12.76 17.51 -22.08 8.80 17.21 coo 19.32 -6.09 50.65 20.51 -6.62 48.98 -12.39 24.89 13.45 -13.91 23.80 12.41 ULMN 3 1kqc_c00 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 8 3 # 8 A 14 LYS B 118 LYS~? 15.88 O1 SO4 B 243 A 74 LYS B 113 LYS~? 30.21 O1 SO4 B 243 A 165 GLU B 208 GLU^? 18.08 O1 SO4 B 243 coo 24.97 5.82 58.78 26.79 1.97 55.46 -8.85 13.11 20.72 -7.39 14.71 15.31 coo 19.46 3.44 61.93 23.95 1.12 60.13 -16.92 12.76 17.51 -22.08 8.80 17.21 coo 19.32 -6.09 50.65 20.51 -6.62 48.98 -4.22 15.23 7.76 -6.03 14.17 7.93 1kqc_c00 source 1kqc OXYGEN-INSENSITIVE NAD(P)H NITROREDUCTASE : 8 hits 1kqc_c00 naa= 3 ULMN 3 1kqc_c01 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 1 3 # 1 B 14 LYS A 113 LYS~? 30.41 O3 SO4 A 243 B 74 LYS A 118 LYS~? 14.73 O3 SO4 A 243 B 165 GLU A 129 GLU^? 16.53 O1 SO4 A 243 coo 4.84 5.09 23.75 3.30 1.39 27.48 26.35 9.86 -8.18 28.43 13.70 -12.96 coo 10.43 2.88 20.75 5.72 0.41 23.95 25.35 9.54 0.37 20.43 7.24 0.70 coo 10.70 -6.39 32.24 9.53 -6.89 33.94 20.62 -2.18 -6.03 20.44 -1.20 -7.86 ULMN 3 1kqc_c01 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 2 3 # 2 B 14 LYS A 113 LYS~? 30.41 O3 SO4 A 243 B 74 LYS A 118 LYS~? 14.73 O3 SO4 A 243 B 165 GLU A 208 GLU^? 18.11 O3 SO4 A 243 coo 4.84 5.09 23.75 3.30 1.39 27.48 26.35 9.86 -8.18 28.43 13.70 -12.96 coo 10.43 2.88 20.75 5.72 0.41 23.95 25.35 9.54 0.37 20.43 7.24 0.70 coo 10.70 -6.39 32.24 9.53 -6.89 33.94 11.78 7.44 -1.74 12.80 8.58 -3.28 ULMN 3 1kqc_c01 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 3 3 # 3 B 14 LYS A 118 LYS~? 14.73 O3 SO4 A 243 B 74 LYS A 113 LYS~? 30.41 O3 SO4 A 243 B 165 GLU A 129 GLU^? 16.53 O1 SO4 A 243 coo 4.84 5.09 23.75 3.30 1.39 27.48 25.35 9.54 0.37 20.43 7.24 0.70 coo 10.43 2.88 20.75 5.72 0.41 23.95 26.35 9.86 -8.18 28.43 13.70 -12.96 coo 10.70 -6.39 32.24 9.53 -6.89 33.94 20.62 -2.18 -6.03 20.44 -1.20 -7.86 ULMN 3 1kqc_c01 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 4 3 # 4 B 14 LYS A 118 LYS~? 14.73 O3 SO4 A 243 B 74 LYS A 113 LYS~? 30.41 O3 SO4 A 243 B 165 GLU A 208 GLU^? 18.11 O3 SO4 A 243 coo 4.84 5.09 23.75 3.30 1.39 27.48 25.35 9.54 0.37 20.43 7.24 0.70 coo 10.43 2.88 20.75 5.72 0.41 23.95 26.35 9.86 -8.18 28.43 13.70 -12.96 coo 10.70 -6.39 32.24 9.53 -6.89 33.94 11.78 7.44 -1.74 12.80 8.58 -3.28 ULMN 3 1kqc_c01 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 5 3 # 5 B 14 LYS B 113 LYS~? 30.21 O1 SO4 B 243 B 74 LYS B 118 LYS~? 15.88 O1 SO4 B 243 B 165 GLU B 129 GLU^? 16.54 O1 SO4 B 243 coo 4.84 5.09 23.75 3.30 1.39 27.48 -16.92 12.76 17.51 -22.08 8.80 17.21 coo 10.43 2.88 20.75 5.72 0.41 23.95 -8.85 13.11 20.72 -7.39 14.71 15.31 coo 10.70 -6.39 32.24 9.53 -6.89 33.94 -12.39 24.89 13.45 -13.91 23.80 12.41 ULMN 3 1kqc_c01 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 6 3 # 6 B 14 LYS B 113 LYS~? 30.21 O1 SO4 B 243 B 74 LYS B 118 LYS~? 15.88 O1 SO4 B 243 B 165 GLU B 208 GLU^? 18.08 O1 SO4 B 243 coo 4.84 5.09 23.75 3.30 1.39 27.48 -16.92 12.76 17.51 -22.08 8.80 17.21 coo 10.43 2.88 20.75 5.72 0.41 23.95 -8.85 13.11 20.72 -7.39 14.71 15.31 coo 10.70 -6.39 32.24 9.53 -6.89 33.94 -4.22 15.23 7.76 -6.03 14.17 7.93 ULMN 3 1kqc_c01 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 7 3 # 7 B 14 LYS B 118 LYS~? 15.88 O1 SO4 B 243 B 74 LYS B 113 LYS~? 30.21 O1 SO4 B 243 B 165 GLU B 129 GLU^? 16.54 O1 SO4 B 243 coo 4.84 5.09 23.75 3.30 1.39 27.48 -8.85 13.11 20.72 -7.39 14.71 15.31 coo 10.43 2.88 20.75 5.72 0.41 23.95 -16.92 12.76 17.51 -22.08 8.80 17.21 coo 10.70 -6.39 32.24 9.53 -6.89 33.94 -12.39 24.89 13.45 -13.91 23.80 12.41 ULMN 3 1kqc_c01 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 8 3 # 8 B 14 LYS B 118 LYS~? 15.88 O1 SO4 B 243 B 74 LYS B 113 LYS~? 30.21 O1 SO4 B 243 B 165 GLU B 208 GLU^? 18.08 O1 SO4 B 243 coo 4.84 5.09 23.75 3.30 1.39 27.48 -8.85 13.11 20.72 -7.39 14.71 15.31 coo 10.43 2.88 20.75 5.72 0.41 23.95 -16.92 12.76 17.51 -22.08 8.80 17.21 coo 10.70 -6.39 32.24 9.53 -6.89 33.94 -4.22 15.23 7.76 -6.03 14.17 7.93 1kqc_c01 source 1kqc OXYGEN-INSENSITIVE NAD(P)H NITROREDUCTASE : 8 hits 1kqc_c01 naa= 3 ULMN 3 1kqc_c02 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 1 3 # 1 C 14 LYS A 183 LYS^? 12.80 O3 SO4 A 243 C 74 LYS A 211 LYS^? 6.62 O3 SO4 A 243 C 165 GLU A 117 GLU~? 25.40 O3 SO4 A 243 coo 17.59 37.25 25.80 19.64 34.15 21.60 15.64 9.91 6.99 14.95 7.19 11.14 coo 12.29 34.52 28.11 16.84 32.47 25.43 17.59 6.59 4.81 17.28 1.50 8.69 coo 12.06 27.10 15.56 13.23 27.02 13.80 27.34 13.07 -4.01 26.27 14.77 -4.79 ULMN 3 1kqc_c02 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 2 3 # 2 C 14 LYS A 211 LYS^? 6.62 O3 SO4 A 243 C 74 LYS A 183 LYS^? 12.80 O3 SO4 A 243 C 165 GLU A 117 GLU~? 25.40 O3 SO4 A 243 coo 17.59 37.25 25.80 19.64 34.15 21.60 17.59 6.59 4.81 17.28 1.50 8.69 coo 12.29 34.52 28.11 16.84 32.47 25.43 15.64 9.91 6.99 14.95 7.19 11.14 coo 12.06 27.10 15.56 13.23 27.02 13.80 27.34 13.07 -4.01 26.27 14.77 -4.79 1kqc_c02 source 1kqc OXYGEN-INSENSITIVE NAD(P)H NITROREDUCTASE : 2 hits 1kqc_c02 naa= 3 ULMN 3 1kqc_c03 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 1 3 # 1 D 14 LYS A 113 LYS~? 30.41 O3 SO4 A 243 D 74 LYS A 118 LYS~? 14.73 O3 SO4 A 243 D 165 GLU A 129 GLU^? 16.53 O1 SO4 A 243 coo -2.23 43.20 -8.84 -3.98 39.03 -6.02 26.35 9.86 -8.18 28.43 13.70 -12.96 coo 3.33 41.47 -12.31 -1.15 38.64 -10.07 25.35 9.54 0.37 20.43 7.24 0.70 coo 3.51 30.30 -2.73 2.31 29.63 -1.11 20.62 -2.18 -6.03 20.44 -1.20 -7.86 ULMN 3 1kqc_c03 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 2 3 # 2 D 14 LYS A 113 LYS~? 30.41 O3 SO4 A 243 D 74 LYS A 118 LYS~? 14.73 O3 SO4 A 243 D 165 GLU A 208 GLU^? 18.11 O3 SO4 A 243 coo -2.23 43.20 -8.84 -3.98 39.03 -6.02 26.35 9.86 -8.18 28.43 13.70 -12.96 coo 3.33 41.47 -12.31 -1.15 38.64 -10.07 25.35 9.54 0.37 20.43 7.24 0.70 coo 3.51 30.30 -2.73 2.31 29.63 -1.11 11.78 7.44 -1.74 12.80 8.58 -3.28 ULMN 3 1kqc_c03 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 3 3 # 3 D 14 LYS A 118 LYS~? 14.73 O3 SO4 A 243 D 74 LYS A 113 LYS~? 30.41 O3 SO4 A 243 D 165 GLU A 129 GLU^? 16.53 O1 SO4 A 243 coo -2.23 43.20 -8.84 -3.98 39.03 -6.02 25.35 9.54 0.37 20.43 7.24 0.70 coo 3.33 41.47 -12.31 -1.15 38.64 -10.07 26.35 9.86 -8.18 28.43 13.70 -12.96 coo 3.51 30.30 -2.73 2.31 29.63 -1.11 20.62 -2.18 -6.03 20.44 -1.20 -7.86 ULMN 3 1kqc_c03 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 4 3 # 4 D 14 LYS A 118 LYS~? 14.73 O3 SO4 A 243 D 74 LYS A 113 LYS~? 30.41 O3 SO4 A 243 D 165 GLU A 208 GLU^? 18.11 O3 SO4 A 243 coo -2.23 43.20 -8.84 -3.98 39.03 -6.02 25.35 9.54 0.37 20.43 7.24 0.70 coo 3.33 41.47 -12.31 -1.15 38.64 -10.07 26.35 9.86 -8.18 28.43 13.70 -12.96 coo 3.51 30.30 -2.73 2.31 29.63 -1.11 11.78 7.44 -1.74 12.80 8.58 -3.28 ULMN 3 1kqc_c03 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 5 3 # 5 D 14 LYS B 113 LYS~? 30.21 O1 SO4 B 243 D 74 LYS B 118 LYS~? 15.88 O1 SO4 B 243 D 165 GLU B 129 GLU^? 16.54 O1 SO4 B 243 coo -2.23 43.20 -8.84 -3.98 39.03 -6.02 -16.92 12.76 17.51 -22.08 8.80 17.21 coo 3.33 41.47 -12.31 -1.15 38.64 -10.07 -8.85 13.11 20.72 -7.39 14.71 15.31 coo 3.51 30.30 -2.73 2.31 29.63 -1.11 -12.39 24.89 13.45 -13.91 23.80 12.41 ULMN 3 1kqc_c03 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 6 3 # 6 D 14 LYS B 113 LYS~? 30.21 O1 SO4 B 243 D 74 LYS B 118 LYS~? 15.88 O1 SO4 B 243 D 165 GLU B 208 GLU^? 18.08 O1 SO4 B 243 coo -2.23 43.20 -8.84 -3.98 39.03 -6.02 -16.92 12.76 17.51 -22.08 8.80 17.21 coo 3.33 41.47 -12.31 -1.15 38.64 -10.07 -8.85 13.11 20.72 -7.39 14.71 15.31 coo 3.51 30.30 -2.73 2.31 29.63 -1.11 -4.22 15.23 7.76 -6.03 14.17 7.93 ULMN 3 1kqc_c03 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 7 3 # 7 D 14 LYS B 118 LYS~? 15.88 O1 SO4 B 243 D 74 LYS B 113 LYS~? 30.21 O1 SO4 B 243 D 165 GLU B 129 GLU^? 16.54 O1 SO4 B 243 coo -2.23 43.20 -8.84 -3.98 39.03 -6.02 -8.85 13.11 20.72 -7.39 14.71 15.31 coo 3.33 41.47 -12.31 -1.15 38.64 -10.07 -16.92 12.76 17.51 -22.08 8.80 17.21 coo 3.51 30.30 -2.73 2.31 29.63 -1.11 -12.39 24.89 13.45 -13.91 23.80 12.41 ULMN 3 1kqc_c03 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 8 3 # 8 D 14 LYS B 118 LYS~? 15.88 O1 SO4 B 243 D 74 LYS B 113 LYS~? 30.21 O1 SO4 B 243 D 165 GLU B 208 GLU^? 18.08 O1 SO4 B 243 coo -2.23 43.20 -8.84 -3.98 39.03 -6.02 -8.85 13.11 20.72 -7.39 14.71 15.31 coo 3.33 41.47 -12.31 -1.15 38.64 -10.07 -16.92 12.76 17.51 -22.08 8.80 17.21 coo 3.51 30.30 -2.73 2.31 29.63 -1.11 -4.22 15.23 7.76 -6.03 14.17 7.93 1kqc_c03 source 1kqc OXYGEN-INSENSITIVE NAD(P)H NITROREDUCTASE : 8 hits 1kqc_c03 naa= 3 ULMN 3 1kqf_c03 FORMATE DEHYDROGENASE, NITRATE-INDUCuser 1 3 # 1 A 94 LYS A 175 LYS~? 15.75 O4 SO4 A 243 A 197 HIS A 101 HIS.? 5.49 O3 SO4 A 243 A 446 ARG A 132 ARG^? -2.74 O1 SO4 A 243s coo 3.26 62.02 109.14 4.83 57.73 107.38 31.71 -5.61 14.13 32.23 -10.41 15.70 coo 9.48 43.28 113.60 10.05 44.21 111.80 12.44 -8.38 4.91 13.10 -6.40 5.14 coo 12.14 46.28 115.16 13.57 43.60 115.68 16.18 -7.91 2.07 16.78 -6.68 4.89 ULMN 3 1kqf_c03 FORMATE DEHYDROGENASE, NITRATE-INDUCuser 2 3 # 2 A 94 LYS A 183 LYS^? 12.80 O3 SO4 A 243 A 197 HIS A 101 HIS.? 5.49 O3 SO4 A 243 A 446 ARG A 132 ARG^? -2.74 O1 SO4 A 243s coo 3.26 62.02 109.14 4.83 57.73 107.38 15.64 9.91 6.99 14.95 7.19 11.14 coo 9.48 43.28 113.60 10.05 44.21 111.80 12.44 -8.38 4.91 13.10 -6.40 5.14 coo 12.14 46.28 115.16 13.57 43.60 115.68 16.18 -7.91 2.07 16.78 -6.68 4.89 ULMN 3 1kqf_c03 FORMATE DEHYDROGENASE, NITRATE-INDUCuser 3 3 # 3 A 94 LYS A 183 LYS^? 12.80 O3 SO4 A 243 A 197 HIS A 229 HIS^? 22.39 O3 SO4 A 243 A 446 ARG A 232 ARG.? 20.27 O3 SO4 A 243 coo 3.26 62.02 109.14 4.83 57.73 107.38 15.64 9.91 6.99 14.95 7.19 11.14 coo 9.48 43.28 113.60 10.05 44.21 111.80 -0.05 2.05 -3.08 -1.62 2.78 -4.27 coo 12.14 46.28 115.16 13.57 43.60 115.68 -0.55 -1.37 -0.24 0.04 -2.25 -3.11 ULMN 3 1kqf_c03 FORMATE DEHYDROGENASE, NITRATE-INDUCuser 4 3 # 4 A 94 LYS A 211 LYS^? 6.62 O3 SO4 A 243 A 197 HIS A 229 HIS^? 22.39 O3 SO4 A 243 A 446 ARG A 232 ARG.? 20.27 O3 SO4 A 243 coo 3.26 62.02 109.14 4.83 57.73 107.38 17.59 6.59 4.81 17.28 1.50 8.69 coo 9.48 43.28 113.60 10.05 44.21 111.80 -0.05 2.05 -3.08 -1.62 2.78 -4.27 coo 12.14 46.28 115.16 13.57 43.60 115.68 -0.55 -1.37 -0.24 0.04 -2.25 -3.11 ULMN 3 1kqf_c03 FORMATE DEHYDROGENASE, NITRATE-INDUCuser 5 3 # 5 A 94 LYS B 175 LYS~? 16.29 O2 SO4 B 243 A 197 HIS B 101 HIS.? 5.53 O4 SO4 B 243 A 446 ARG B 132 ARG^? -2.94 O3 SO4 B 243s coo 3.26 62.02 109.14 4.83 57.73 107.38 -0.06 28.25 32.86 0.77 33.04 34.82 coo 9.48 43.28 113.60 10.05 44.21 111.80 1.10 31.39 11.62 1.04 29.37 12.19 coo 12.14 46.28 115.16 13.57 43.60 115.68 -3.03 30.55 13.28 -1.00 29.32 15.28 ULMN 3 1kqf_c03 FORMATE DEHYDROGENASE, NITRATE-INDUCuser 6 3 # 6 A 94 LYS B 183 LYS^? 10.90 O1 SO4 B 243 A 197 HIS B 101 HIS.? 5.53 O4 SO4 B 243 A 446 ARG B 132 ARG^? -2.94 O3 SO4 B 243s coo 3.26 62.02 109.14 4.83 57.73 107.38 1.60 12.78 15.42 4.74 17.90 14.06 coo 9.48 43.28 113.60 10.05 44.21 111.80 1.10 31.39 11.62 1.04 29.37 12.19 coo 12.14 46.28 115.16 13.57 43.60 115.68 -3.03 30.55 13.28 -1.00 29.32 15.28 ULMN 3 1kqf_c03 FORMATE DEHYDROGENASE, NITRATE-INDUCuser 7 3 # 7 A 94 LYS B 183 LYS^? 10.90 O1 SO4 B 243 A 197 HIS B 229 HIS^? 22.78 O1 SO4 B 243 A 446 ARG B 232 ARG.? 20.69 O1 SO4 B 243 coo 3.26 62.02 109.14 4.83 57.73 107.38 1.60 12.78 15.42 4.74 17.90 14.06 coo 9.48 43.28 113.60 10.05 44.21 111.80 0.17 20.57 -3.28 -0.12 19.82 -5.21 coo 12.14 46.28 115.16 13.57 43.60 115.68 2.95 23.97 -2.41 0.09 24.88 -3.25 ULMN 3 1kqf_c03 FORMATE DEHYDROGENASE, NITRATE-INDUCuser 8 3 # 8 A 94 LYS B 211 LYS^? 7.04 O1 SO4 B 243 A 197 HIS B 229 HIS^? 22.78 O1 SO4 B 243 A 446 ARG B 232 ARG.? 20.69 O1 SO4 B 243 coo 3.26 62.02 109.14 4.83 57.73 107.38 -1.16 16.10 16.00 2.65 20.89 17.79 coo 9.48 43.28 113.60 10.05 44.21 111.80 0.17 20.57 -3.28 -0.12 19.82 -5.21 coo 12.14 46.28 115.16 13.57 43.60 115.68 2.95 23.97 -2.41 0.09 24.88 -3.25 1kqf_c03 source 1kqf FORMATE DEHYDROGENASE, NITRATE-INDUCIBLE, CYTO: 8 hits 1kqf_c03 naa= 3 ULMN 3 1l9x_c00 GAMMA-GLUTAMYL HYDROLASE user 1 3 # 1 A 110 CYH A 223 CYH^? 13.89 O3 SO4 A 243 A 220 HIS A 147 HIS^? 14.45 O3 SO4 A 243 A 222 GLU A 129 GLU^? 16.53 O1 SO4 A 243 coo -8.91 41.33 -26.79 -11.45 42.13 -25.98 21.69 3.75 2.44 22.79 4.57 -0.06 coo -11.66 37.25 -23.47 -11.56 39.34 -23.28 22.73 1.14 -3.20 21.31 1.29 -4.76 coo -8.61 34.50 -19.72 -8.98 35.64 -21.47 20.62 -2.18 -6.03 20.44 -1.20 -7.86 ULMN 3 1l9x_c00 GAMMA-GLUTAMYL HYDROLASE user 2 3 # 2 A 110 CYH B 223 CYH^? 13.65 O1 SO4 B 243 A 220 HIS B 147 HIS^? 14.18 O1 SO4 B 243 A 222 GLU B 129 GLU^? 16.54 O1 SO4 B 243 coo -8.91 41.33 -26.79 -11.45 42.13 -25.98 -5.44 18.90 18.45 -8.10 18.07 18.26 coo -11.66 37.25 -23.47 -11.56 39.34 -23.28 -10.85 21.55 16.70 -11.51 21.37 14.71 coo -8.61 34.50 -19.72 -8.98 35.64 -21.47 -12.39 24.89 13.45 -13.91 23.80 12.41 1l9x_c00 source 1l9x GAMMA-GLUTAMYL HYDROLASE : 2 hits 1l9x_c00 naa= 3 ULMN 3 1l9x_c01 GAMMA-GLUTAMYL HYDROLASE user 1 3 # 1 B 110 CYH A 223 CYH^? 13.89 O3 SO4 A 243 B 220 HIS A 147 HIS^? 14.45 O3 SO4 A 243 B 222 GLU A 129 GLU^? 16.53 O1 SO4 A 243 coo -0.50 9.45 -3.81 1.96 10.11 -2.60 21.69 3.75 2.44 22.79 4.57 -0.06 coo 2.37 14.03 -6.28 2.19 13.50 -4.25 22.73 1.14 -3.20 21.31 1.29 -4.76 coo -0.88 18.35 -7.86 -0.45 16.33 -7.40 20.62 -2.18 -6.03 20.44 -1.20 -7.86 ULMN 3 1l9x_c01 GAMMA-GLUTAMYL HYDROLASE user 2 3 # 2 B 110 CYH B 223 CYH^? 13.65 O1 SO4 B 243 B 220 HIS B 147 HIS^? 14.18 O1 SO4 B 243 B 222 GLU B 129 GLU^? 16.54 O1 SO4 B 243 coo -0.50 9.45 -3.81 1.96 10.11 -2.60 -5.44 18.90 18.45 -8.10 18.07 18.26 coo 2.37 14.03 -6.28 2.19 13.50 -4.25 -10.85 21.55 16.70 -11.51 21.37 14.71 coo -0.88 18.35 -7.86 -0.45 16.33 -7.40 -12.39 24.89 13.45 -13.91 23.80 12.41 1l9x_c01 source 1l9x GAMMA-GLUTAMYL HYDROLASE : 2 hits 1l9x_c01 naa= 3 ULMN 3 1l9x_c02 GAMMA-GLUTAMYL HYDROLASE user 1 3 # 1 C 110 CYH A 223 CYH^? 13.89 O3 SO4 A 243 C 220 HIS A 147 HIS^? 14.45 O3 SO4 A 243 C 222 GLU A 129 GLU^? 16.53 O1 SO4 A 243 coo 26.01 27.87 -53.72 28.60 27.52 -54.73 21.69 3.75 2.44 22.79 4.57 -0.06 coo 28.17 22.35 -53.03 28.38 23.73 -54.60 22.73 1.14 -3.20 21.31 1.29 -4.76 coo 24.56 18.15 -54.00 25.16 20.12 -53.50 20.62 -2.18 -6.03 20.44 -1.20 -7.86 ULMN 3 1l9x_c02 GAMMA-GLUTAMYL HYDROLASE user 2 3 # 2 C 110 CYH B 223 CYH^? 13.65 O1 SO4 B 243 C 220 HIS B 147 HIS^? 14.18 O1 SO4 B 243 C 222 GLU B 129 GLU^? 16.54 O1 SO4 B 243 coo 26.01 27.87 -53.72 28.60 27.52 -54.73 -5.44 18.90 18.45 -8.10 18.07 18.26 coo 28.17 22.35 -53.03 28.38 23.73 -54.60 -10.85 21.55 16.70 -11.51 21.37 14.71 coo 24.56 18.15 -54.00 25.16 20.12 -53.50 -12.39 24.89 13.45 -13.91 23.80 12.41 1l9x_c02 source 1l9x GAMMA-GLUTAMYL HYDROLASE : 2 hits 1l9x_c02 naa= 3 ULMN 3 1l9x_c03 GAMMA-GLUTAMYL HYDROLASE user 1 3 # 1 D 110 CYH A 223 CYH^? 13.89 O3 SO4 A 243 D 220 HIS A 147 HIS^? 14.45 O3 SO4 A 243 D 222 GLU A 129 GLU^? 16.53 O1 SO4 A 243 coo 12.54 -9.62 -47.89 10.14 -9.71 -49.30 21.69 3.75 2.44 22.79 4.57 -0.06 coo 10.45 -4.28 -49.60 10.59 -6.11 -50.61 22.73 1.14 -3.20 21.31 1.29 -4.76 coo 14.26 -0.51 -51.35 13.49 -2.20 -50.31 20.62 -2.18 -6.03 20.44 -1.20 -7.86 ULMN 3 1l9x_c03 GAMMA-GLUTAMYL HYDROLASE user 2 3 # 2 D 110 CYH B 223 CYH^? 13.65 O1 SO4 B 243 D 220 HIS B 147 HIS^? 14.18 O1 SO4 B 243 D 222 GLU B 129 GLU^? 16.54 O1 SO4 B 243 coo 12.54 -9.62 -47.89 10.14 -9.71 -49.30 -5.44 18.90 18.45 -8.10 18.07 18.26 coo 10.45 -4.28 -49.60 10.59 -6.11 -50.61 -10.85 21.55 16.70 -11.51 21.37 14.71 coo 14.26 -0.51 -51.35 13.49 -2.20 -50.31 -12.39 24.89 13.45 -13.91 23.80 12.41 1l9x_c03 source 1l9x GAMMA-GLUTAMYL HYDROLASE : 2 hits 1l9x_c03 naa= 3 ULMN 3 1lcb_c00 THYMIDYLATE SYNTHASE user 1 3 # 1 198 CYH A 223 CYH^? 13.89 O3 SO4 A 243 229 ASN A 181 ASN^? 11.66 O3 SO4 A 243 232 SER B 239 SER.? 13.78 O3 SO4 A 243 coo 9.92 49.50 -53.84 12.48 47.89 -53.69 21.69 3.75 2.44 22.79 4.57 -0.06 coo 9.79 43.22 -47.74 11.15 44.81 -48.24 19.53 6.32 10.38 17.67 6.06 11.34 coo 7.03 45.16 -41.61 9.10 46.34 -42.68 16.84 9.01 14.32 16.23 6.75 15.02 1lcb_c00 source 1lcb THYMIDYLATE SYNTHASE : 1 hits 1lcb_c00 naa= 3 ULMN 3 1lij_c01 ADENOSINE KINASE user 1 3 # 1 A 316 ALA A 190 ALA.? 22.76 O3 SO4 A 243 A 317 GLY A 203 GLY.? 27.18 O3 SO4 A 243 A 318 ASP A 204 ASP.? 25.99 O3 SO4 A 243 coo 144.15 17.54 -4.21 144.96 16.79 -5.26 5.58 4.36 -9.42 4.38 3.38 -9.16 coo 145.79 20.97 -4.38 145.13 20.72 -3.93 2.03 6.37 -11.80 1.98 5.78 -11.24 coo 141.70 22.54 -2.23 141.09 23.62 -3.92 0.25 4.29 -7.71 -1.48 3.39 -8.50 ULMN 3 1lij_c01 ADENOSINE KINASE user 2 3 # 2 A 316 ALA B 190 ALA.? 22.71 O1 SO4 B 243 A 317 GLY B 203 GLY.? 27.50 O1 SO4 B 243 A 318 ASP B 204 ASP.? 26.31 O1 SO4 B 243 coo 144.15 17.54 -4.21 144.96 16.79 -5.26 -8.03 18.28 -1.32 -7.18 19.41 -2.08 coo 145.79 20.97 -4.38 145.13 20.72 -3.93 -8.49 16.16 -5.67 -7.94 16.77 -5.44 coo 141.70 22.54 -2.23 141.09 23.62 -3.92 -4.03 18.39 -5.24 -3.87 19.29 -7.14 1lij_c01 source 1lij ADENOSINE KINASE : 2 hits 1lij_c01 naa= 3 ULMN 3 1lio_c01 ADENOSINE KINASE user 1 3 # 1 A 316 ALA A 190 ALA.? 22.76 O3 SO4 A 243 A 317 GLY A 203 GLY.? 27.18 O3 SO4 A 243 A 318 ASP A 204 ASP.? 25.99 O3 SO4 A 243 coo 27.04 23.54 41.85 25.72 24.19 42.18 5.58 4.36 -9.42 4.38 3.38 -9.16 coo 27.87 23.16 38.17 28.43 22.97 38.87 2.03 6.37 -11.80 1.98 5.78 -11.24 coo 32.11 22.71 40.58 33.42 24.22 39.78 0.25 4.29 -7.71 -1.48 3.39 -8.50 ULMN 3 1lio_c01 ADENOSINE KINASE user 2 3 # 2 A 316 ALA B 190 ALA.? 22.71 O1 SO4 B 243 A 317 GLY B 203 GLY.? 27.50 O1 SO4 B 243 A 318 ASP B 204 ASP.? 26.31 O1 SO4 B 243 coo 27.04 23.54 41.85 25.72 24.19 42.18 -8.03 18.28 -1.32 -7.18 19.41 -2.08 coo 27.87 23.16 38.17 28.43 22.97 38.87 -8.49 16.16 -5.67 -7.94 16.77 -5.44 coo 32.11 22.71 40.58 33.42 24.22 39.78 -4.03 18.39 -5.24 -3.87 19.29 -7.14 1lio_c01 source 1lio ADENOSINE KINASE : 2 hits 1lio_c01 naa= 3 ULMN 3 1luc_c00 BACTERIAL LUCIFERASE user 1 3 # 1 A 44 HIS B 101 HIS.? 5.53 O4 SO4 B 243 A 45 HIS B 102 HIS^? 13.40 O3 SO4 B 243 A 261 PHE B 143 PHE^? 14.36 O1 SO4 B 243 coo 49.89 1.93 30.83 50.54 1.43 32.81 1.10 31.39 11.62 1.04 29.37 12.19 coo 45.01 -1.52 29.84 44.56 -2.07 27.88 -4.13 35.26 6.99 -5.90 36.34 6.69 coo 46.05 -5.25 41.21 44.22 -4.43 39.26 -5.62 24.82 5.50 -8.32 25.22 6.25 1luc_c00 source 1luc BACTERIAL LUCIFERASE : 1 hits 1luc_c00 naa= 3 ULMN 3 1m53_c05 ISOMALTULOSE SYNTHASE user 1 3 # 1 A 241 ASP A 138 ASP.? 20.83 O2 SO4 A 243 A 265 GLU A 144 GLU^? 5.14 O3 SO4 A 243 A 369 ASP A 199 ASP~? 23.37 O3 SO4 A 243 coo 11.74 38.14 80.19 10.63 36.40 80.65 -1.07 -12.13 0.13 -1.24 -14.06 1.00 coo 17.36 23.57 72.04 18.68 21.92 71.98 15.10 -1.99 1.69 15.82 -3.30 3.21 coo 12.19 31.08 87.29 11.13 32.66 86.38 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 ULMN 3 1m53_c05 ISOMALTULOSE SYNTHASE user 2 3 # 2 A 241 ASP A 199 ASP~? 23.37 O3 SO4 A 243 A 265 GLU A 144 GLU^? 5.14 O3 SO4 A 243 A 369 ASP A 138 ASP.? 20.83 O2 SO4 A 243 coo 11.74 38.14 80.19 10.63 36.40 80.65 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 coo 17.36 23.57 72.04 18.68 21.92 71.98 15.10 -1.99 1.69 15.82 -3.30 3.21 coo 12.19 31.08 87.29 11.13 32.66 86.38 -1.07 -12.13 0.13 -1.24 -14.06 1.00 ULMN 3 1m53_c05 ISOMALTULOSE SYNTHASE user 3 3 # 3 A 241 ASP A 199 ASP~? 23.37 O3 SO4 A 243 A 265 GLU A 144 GLU^? 5.14 O3 SO4 A 243 A 369 ASP A 204 ASP.? 25.99 O3 SO4 A 243 coo 11.74 38.14 80.19 10.63 36.40 80.65 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 coo 17.36 23.57 72.04 18.68 21.92 71.98 15.10 -1.99 1.69 15.82 -3.30 3.21 coo 12.19 31.08 87.29 11.13 32.66 86.38 0.25 4.29 -7.71 -1.48 3.39 -8.50 ULMN 3 1m53_c05 ISOMALTULOSE SYNTHASE user 4 3 # 4 A 241 ASP A 199 ASP~? 23.37 O3 SO4 A 243 A 265 GLU A 208 GLU^? 18.11 O3 SO4 A 243 A 369 ASP A 201 ASP.? 28.67 O3 SO4 A 243 coo 11.74 38.14 80.19 10.63 36.40 80.65 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 coo 17.36 23.57 72.04 18.68 21.92 71.98 11.78 7.44 -1.74 12.80 8.58 -3.28 coo 12.19 31.08 87.29 11.13 32.66 86.38 -1.72 1.66 -11.39 -3.36 0.47 -11.68 ULMN 3 1m53_c05 ISOMALTULOSE SYNTHASE user 5 3 # 5 A 241 ASP A 201 ASP.? 28.67 O3 SO4 A 243 A 265 GLU A 208 GLU^? 18.11 O3 SO4 A 243 A 369 ASP A 199 ASP~? 23.37 O3 SO4 A 243 coo 11.74 38.14 80.19 10.63 36.40 80.65 -1.72 1.66 -11.39 -3.36 0.47 -11.68 coo 17.36 23.57 72.04 18.68 21.92 71.98 11.78 7.44 -1.74 12.80 8.58 -3.28 coo 12.19 31.08 87.29 11.13 32.66 86.38 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 ULMN 3 1m53_c05 ISOMALTULOSE SYNTHASE user 6 3 # 6 A 241 ASP A 204 ASP.? 25.99 O3 SO4 A 243 A 265 GLU A 144 GLU^? 5.14 O3 SO4 A 243 A 369 ASP A 199 ASP~? 23.37 O3 SO4 A 243 coo 11.74 38.14 80.19 10.63 36.40 80.65 0.25 4.29 -7.71 -1.48 3.39 -8.50 coo 17.36 23.57 72.04 18.68 21.92 71.98 15.10 -1.99 1.69 15.82 -3.30 3.21 coo 12.19 31.08 87.29 11.13 32.66 86.38 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 ULMN 3 1m53_c05 ISOMALTULOSE SYNTHASE user 7 3 # 7 A 241 ASP B 138 ASP.? 20.16 O4 SO4 B 243 A 265 GLU B 144 GLU^? 5.26 O1 SO4 B 243 A 369 ASP B 199 ASP~? 23.68 O1 SO4 B 243 coo 11.74 38.14 80.19 10.63 36.40 80.65 3.17 35.06 -2.07 1.06 35.64 -2.11 coo 17.36 23.57 72.04 18.68 21.92 71.98 -2.94 24.68 12.26 -2.09 26.04 13.69 coo 12.19 31.08 87.29 11.13 32.66 86.38 -3.04 28.39 -4.12 -2.88 29.28 -6.05 ULMN 3 1m53_c05 ISOMALTULOSE SYNTHASE user 8 3 # 8 A 241 ASP B 199 ASP~? 23.68 O1 SO4 B 243 A 265 GLU B 144 GLU^? 5.26 O1 SO4 B 243 A 369 ASP B 138 ASP.? 20.16 O4 SO4 B 243 coo 11.74 38.14 80.19 10.63 36.40 80.65 -3.04 28.39 -4.12 -2.88 29.28 -6.05 coo 17.36 23.57 72.04 18.68 21.92 71.98 -2.94 24.68 12.26 -2.09 26.04 13.69 coo 12.19 31.08 87.29 11.13 32.66 86.38 3.17 35.06 -2.07 1.06 35.64 -2.11 ULMN 3 1m53_c05 ISOMALTULOSE SYNTHASE user 9 3 # 9 A 241 ASP B 199 ASP~? 23.68 O1 SO4 B 243 A 265 GLU B 144 GLU^? 5.26 O1 SO4 B 243 A 369 ASP B 204 ASP.? 26.31 O1 SO4 B 243 coo 11.74 38.14 80.19 10.63 36.40 80.65 -3.04 28.39 -4.12 -2.88 29.28 -6.05 coo 17.36 23.57 72.04 18.68 21.92 71.98 -2.94 24.68 12.26 -2.09 26.04 13.69 coo 12.19 31.08 87.29 11.13 32.66 86.38 -4.03 18.39 -5.24 -3.87 19.29 -7.14 ULMN 3 1m53_c05 ISOMALTULOSE SYNTHASE user 10 3 # 10 A 241 ASP B 199 ASP~? 23.68 O1 SO4 B 243 A 265 GLU B 208 GLU^? 18.08 O1 SO4 B 243 A 369 ASP B 201 ASP.? 28.94 O1 SO4 B 243 coo 11.74 38.14 80.19 10.63 36.40 80.65 -3.04 28.39 -4.12 -2.88 29.28 -6.05 coo 17.36 23.57 72.04 18.68 21.92 71.98 -4.22 15.23 7.76 -6.03 14.17 7.93 coo 12.19 31.08 87.29 11.13 32.66 86.38 -6.53 20.97 -8.85 -5.67 22.23 -10.32 ULMN 3 1m53_c05 ISOMALTULOSE SYNTHASE user 11 3 # 11 A 241 ASP B 201 ASP.? 28.94 O1 SO4 B 243 A 265 GLU B 208 GLU^? 18.08 O1 SO4 B 243 A 369 ASP B 199 ASP~? 23.68 O1 SO4 B 243 coo 11.74 38.14 80.19 10.63 36.40 80.65 -6.53 20.97 -8.85 -5.67 22.23 -10.32 coo 17.36 23.57 72.04 18.68 21.92 71.98 -4.22 15.23 7.76 -6.03 14.17 7.93 coo 12.19 31.08 87.29 11.13 32.66 86.38 -3.04 28.39 -4.12 -2.88 29.28 -6.05 ULMN 3 1m53_c05 ISOMALTULOSE SYNTHASE user 12 3 # 12 A 241 ASP B 204 ASP.? 26.31 O1 SO4 B 243 A 265 GLU B 144 GLU^? 5.26 O1 SO4 B 243 A 369 ASP B 199 ASP~? 23.68 O1 SO4 B 243 coo 11.74 38.14 80.19 10.63 36.40 80.65 -4.03 18.39 -5.24 -3.87 19.29 -7.14 coo 17.36 23.57 72.04 18.68 21.92 71.98 -2.94 24.68 12.26 -2.09 26.04 13.69 coo 12.19 31.08 87.29 11.13 32.66 86.38 -3.04 28.39 -4.12 -2.88 29.28 -6.05 1m53_c05 source 1m53 ISOMALTULOSE SYNTHASE : 12 hits 1m53_c05 naa= 3 ULMN 3 1mas_c00 INOSINE-URIDINE NUCLEOSIDE N-RIBOHYDuser 1 3 # 1 A 10 ASP A 138 ASP.? 20.83 O2 SO4 A 243 A 168 ASN A 136 ASN.? 17.89 O2 SO4 A 243 A 241 HIS A 229 HIS^? 22.39 O3 SO4 A 243 coo 2.16 -17.86 7.84 1.13 -18.57 9.58 -1.07 -12.13 0.13 -1.24 -14.06 1.00 coo -3.08 -15.85 14.13 -2.55 -17.63 13.08 0.79 -6.12 4.86 -1.05 -6.29 5.90 coo -5.32 -25.12 14.92 -4.53 -26.21 16.52 -0.05 2.05 -3.08 -1.62 2.78 -4.27 ULMN 3 1mas_c00 INOSINE-URIDINE NUCLEOSIDE N-RIBOHYDuser 2 3 # 2 A 10 ASP B 138 ASP.? 20.16 O4 SO4 B 243 A 168 ASN B 136 ASN.? 14.49 O4 SO4 B 243 A 241 HIS B 101 HIS.? 5.53 O4 SO4 B 243 coo 2.16 -17.86 7.84 1.13 -18.57 9.58 3.17 35.06 -2.07 1.06 35.64 -2.11 coo -3.08 -15.85 14.13 -2.55 -17.63 13.08 7.06 29.24 3.43 9.17 29.25 3.86 coo -5.32 -25.12 14.92 -4.53 -26.21 16.52 1.10 31.39 11.62 1.04 29.37 12.19 1mas_c00 source 1mas INOSINE-URIDINE NUCLEOSIDE N-RIBOHYDROLASE : 2 hits 1mas_c00 naa= 3 ULMN 3 1mas_c01 INOSINE-URIDINE NUCLEOSIDE N-RIBOHYDuser 1 3 # 1 B 10 ASP B 138 ASP.? 20.16 O4 SO4 B 243 B 168 ASN B 136 ASN.? 14.49 O4 SO4 B 243 B 241 HIS B 101 HIS.? 5.53 O4 SO4 B 243 coo -17.05 -4.58 51.44 -17.53 -6.08 49.99 3.17 35.06 -2.07 1.06 35.64 -2.11 coo -13.80 -8.69 44.98 -15.38 -8.70 46.39 7.06 29.24 3.43 9.17 29.25 3.86 coo -21.48 -14.16 44.54 -22.74 -13.73 42.93 1.10 31.39 11.62 1.04 29.37 12.19 1mas_c01 source 1mas INOSINE-URIDINE NUCLEOSIDE N-RIBOHYDROLASE : 1 hits 1mas_c01 naa= 3 ULMN 3 1mpp_c04 PEPSIN (RENIN) (E.C.3.4.23.23) user 1 3 # 1 32 ASP A 107 ASP^? 18.51 O1 SO4 A 243 35 SER A 105 SER^? 14.75 O1 SO4 A 243 215 ASP A 157 ASP~? 15.53 O1 SO4 A 243 coo 20.97 14.47 32.28 19.66 15.96 31.62 23.22 -6.70 -8.91 22.86 -8.00 -10.43 coo 16.04 14.72 33.82 17.27 13.71 31.95 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo 20.65 22.00 33.80 20.06 20.56 32.39 27.16 -9.86 -2.28 29.16 -10.33 -2.80 ULMN 3 1mpp_c04 PEPSIN (RENIN) (E.C.3.4.23.23) user 2 3 # 2 32 ASP A 199 ASP~? 23.37 O3 SO4 A 243 35 SER A 195 SER~? 24.26 O3 SO4 A 243 215 ASP A 201 ASP.? 28.67 O3 SO4 A 243 coo 20.97 14.47 32.28 19.66 15.96 31.62 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 coo 16.04 14.72 33.82 17.27 13.71 31.95 4.31 -1.23 -10.07 4.20 -1.50 -12.49 coo 20.65 22.00 33.80 20.06 20.56 32.39 -1.72 1.66 -11.39 -3.36 0.47 -11.68 ULMN 3 1mpp_c04 PEPSIN (RENIN) (E.C.3.4.23.23) user 3 3 # 3 32 ASP A 201 ASP.? 28.67 O3 SO4 A 243 35 SER A 195 SER~? 24.26 O3 SO4 A 243 215 ASP A 199 ASP~? 23.37 O3 SO4 A 243 coo 20.97 14.47 32.28 19.66 15.96 31.62 -1.72 1.66 -11.39 -3.36 0.47 -11.68 coo 16.04 14.72 33.82 17.27 13.71 31.95 4.31 -1.23 -10.07 4.20 -1.50 -12.49 coo 20.65 22.00 33.80 20.06 20.56 32.39 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 ULMN 3 1mpp_c04 PEPSIN (RENIN) (E.C.3.4.23.23) user 4 3 # 4 32 ASP B 107 ASP^? 18.02 O3 SO4 B 243 35 SER B 105 SER^? 14.66 O3 SO4 B 243 215 ASP B 157 ASP~? 15.61 O3 SO4 B 243 coo 20.97 14.47 32.28 19.66 15.96 31.62 -16.27 29.29 14.31 -16.58 30.52 12.63 coo 16.04 14.72 33.82 17.27 13.71 31.95 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 20.65 22.00 33.80 20.06 20.56 32.39 -12.32 32.41 21.01 -13.75 33.02 22.44 ULMN 3 1mpp_c04 PEPSIN (RENIN) (E.C.3.4.23.23) user 5 3 # 5 32 ASP B 199 ASP~? 23.68 O1 SO4 B 243 35 SER B 195 SER~? 24.29 O1 SO4 B 243 215 ASP B 201 ASP.? 28.94 O1 SO4 B 243 coo 20.97 14.47 32.28 19.66 15.96 31.62 -3.04 28.39 -4.12 -2.88 29.28 -6.05 coo 16.04 14.72 33.82 17.27 13.71 31.95 -8.00 23.84 -2.71 -9.97 24.14 -3.95 coo 20.65 22.00 33.80 20.06 20.56 32.39 -6.53 20.97 -8.85 -5.67 22.23 -10.32 ULMN 3 1mpp_c04 PEPSIN (RENIN) (E.C.3.4.23.23) user 6 3 # 6 32 ASP B 201 ASP.? 28.94 O1 SO4 B 243 35 SER B 195 SER~? 24.29 O1 SO4 B 243 215 ASP B 199 ASP~? 23.68 O1 SO4 B 243 coo 20.97 14.47 32.28 19.66 15.96 31.62 -6.53 20.97 -8.85 -5.67 22.23 -10.32 coo 16.04 14.72 33.82 17.27 13.71 31.95 -8.00 23.84 -2.71 -9.97 24.14 -3.95 coo 20.65 22.00 33.80 20.06 20.56 32.39 -3.04 28.39 -4.12 -2.88 29.28 -6.05 1mpp_c04 source 1mpp PEPSIN (RENIN) (E.C.3.4.23.23) : 6 hits 1mpp_c04 naa= 3 ULMN 3 1mpy_c00 CATECHOL 2,3-DIOXYGENASE user 1 3 # 1 A 199 HIS A 101 HIS.? 5.49 O3 SO4 A 243 A 246 HIS A 102 HIS^? 13.43 O1 SO4 A 243 A 255 TYR A 197 TYR~? 17.30 O1 SO4 A 243 coo 93.73 21.39 -6.05 92.24 22.72 -5.44 12.44 -8.38 4.91 13.10 -6.40 5.14 coo 85.83 25.80 -8.70 86.18 27.15 -7.14 10.89 -12.56 -1.72 11.39 -13.56 -3.50 coo 84.84 30.41 -2.58 86.81 29.07 -4.09 9.27 -5.67 -7.32 11.22 -6.86 -8.96 ULMN 3 1mpy_c00 CATECHOL 2,3-DIOXYGENASE user 2 3 # 2 A 199 HIS A 101 HIS.? 5.49 O3 SO4 A 243 A 246 HIS A 167 HIS~? -3.76 O4 SO4 A 243s A 255 TYR A 222 TYR^? 7.75 O4 SO4 A 243 coo 93.73 21.39 -6.05 92.24 22.72 -5.44 12.44 -8.38 4.91 13.10 -6.40 5.14 coo 85.83 25.80 -8.70 86.18 27.15 -7.14 20.59 -3.79 11.26 20.06 -1.97 10.36 coo 84.84 30.41 -2.58 86.81 29.07 -4.09 23.05 0.50 5.53 21.22 0.35 7.67 ULMN 3 1mpy_c00 CATECHOL 2,3-DIOXYGENASE user 3 3 # 3 A 199 HIS B 101 HIS.? 5.53 O4 SO4 B 243 A 246 HIS B 102 HIS^? 13.40 O3 SO4 B 243 A 255 TYR B 197 TYR~? 17.25 O3 SO4 B 243 coo 93.73 21.39 -6.05 92.24 22.72 -5.44 1.10 31.39 11.62 1.04 29.37 12.19 coo 85.83 25.80 -8.70 86.18 27.15 -7.14 -4.13 35.26 6.99 -5.90 36.34 6.69 coo 84.84 30.41 -2.58 86.81 29.07 -4.09 -8.04 28.46 2.86 -10.26 29.82 3.98 ULMN 3 1mpy_c00 CATECHOL 2,3-DIOXYGENASE user 4 3 # 4 A 199 HIS B 101 HIS.? 5.53 O4 SO4 B 243 A 246 HIS B 167 HIS~? -3.98 O2 SO4 B 243s A 255 TYR B 222 TYR^? 7.39 O1 SO4 B 243 coo 93.73 21.39 -6.05 92.24 22.72 -5.44 1.10 31.39 11.62 1.04 29.37 12.19 coo 85.83 25.80 -8.70 86.18 27.15 -7.14 2.71 26.62 21.63 2.19 24.83 20.66 coo 84.84 30.41 -2.58 86.81 29.07 -4.09 -3.31 22.23 21.14 -0.55 22.44 20.59 1mpy_c00 source 1mpy CATECHOL 2,3-DIOXYGENASE : 4 hits 1mpy_c00 naa= 3 ULMN 3 1mpy_c01 CATECHOL 2,3-DIOXYGENASE user 1 3 # 1 B 199 HIS A 101 HIS.? 5.49 O3 SO4 A 243 B 246 HIS A 102 HIS^? 13.43 O1 SO4 A 243 B 255 TYR A 197 TYR~? 17.30 O1 SO4 A 243 coo 53.99 30.51 -6.27 55.94 30.59 -7.04 12.44 -8.38 4.91 13.10 -6.40 5.14 coo 63.25 31.40 -4.63 63.50 32.04 -6.62 10.89 -12.56 -1.72 11.39 -13.56 -3.50 coo 65.74 33.16 -11.89 63.54 33.33 -10.19 9.27 -5.67 -7.32 11.22 -6.86 -8.96 ULMN 3 1mpy_c01 CATECHOL 2,3-DIOXYGENASE user 2 3 # 2 B 199 HIS A 101 HIS.? 5.49 O3 SO4 A 243 B 246 HIS A 167 HIS~? -3.76 O4 SO4 A 243s B 255 TYR A 222 TYR^? 7.75 O4 SO4 A 243 coo 53.99 30.51 -6.27 55.94 30.59 -7.04 12.44 -8.38 4.91 13.10 -6.40 5.14 coo 63.25 31.40 -4.63 63.50 32.04 -6.62 20.59 -3.79 11.26 20.06 -1.97 10.36 coo 65.74 33.16 -11.89 63.54 33.33 -10.19 23.05 0.50 5.53 21.22 0.35 7.67 ULMN 3 1mpy_c01 CATECHOL 2,3-DIOXYGENASE user 3 3 # 3 B 199 HIS B 101 HIS.? 5.53 O4 SO4 B 243 B 246 HIS B 102 HIS^? 13.40 O3 SO4 B 243 B 255 TYR B 197 TYR~? 17.25 O3 SO4 B 243 coo 53.99 30.51 -6.27 55.94 30.59 -7.04 1.10 31.39 11.62 1.04 29.37 12.19 coo 63.25 31.40 -4.63 63.50 32.04 -6.62 -4.13 35.26 6.99 -5.90 36.34 6.69 coo 65.74 33.16 -11.89 63.54 33.33 -10.19 -8.04 28.46 2.86 -10.26 29.82 3.98 ULMN 3 1mpy_c01 CATECHOL 2,3-DIOXYGENASE user 4 3 # 4 B 199 HIS B 101 HIS.? 5.53 O4 SO4 B 243 B 246 HIS B 167 HIS~? -3.98 O2 SO4 B 243s B 255 TYR B 222 TYR^? 7.39 O1 SO4 B 243 coo 53.99 30.51 -6.27 55.94 30.59 -7.04 1.10 31.39 11.62 1.04 29.37 12.19 coo 63.25 31.40 -4.63 63.50 32.04 -6.62 2.71 26.62 21.63 2.19 24.83 20.66 coo 65.74 33.16 -11.89 63.54 33.33 -10.19 -3.31 22.23 21.14 -0.55 22.44 20.59 1mpy_c01 source 1mpy CATECHOL 2,3-DIOXYGENASE : 4 hits 1mpy_c01 naa= 3 ULMN 3 1mpy_c02 CATECHOL 2,3-DIOXYGENASE user 1 3 # 1 C 199 HIS A 101 HIS.? 5.49 O3 SO4 A 243 C 246 HIS A 102 HIS^? 13.43 O1 SO4 A 243 C 255 TYR A 197 TYR~? 17.30 O1 SO4 A 243 coo 88.23 -2.44 -2.31 86.28 -2.49 -3.06 12.44 -8.38 4.91 13.10 -6.40 5.14 coo 79.18 -3.01 0.51 78.86 -4.28 -1.13 10.89 -12.56 -1.72 11.39 -13.56 -3.50 coo 76.37 -6.84 -5.95 78.54 -6.39 -4.23 9.27 -5.67 -7.32 11.22 -6.86 -8.96 ULMN 3 1mpy_c02 CATECHOL 2,3-DIOXYGENASE user 2 3 # 2 C 199 HIS A 101 HIS.? 5.49 O3 SO4 A 243 C 246 HIS A 167 HIS~? -3.76 O4 SO4 A 243s C 255 TYR A 222 TYR^? 7.75 O4 SO4 A 243 coo 88.23 -2.44 -2.31 86.28 -2.49 -3.06 12.44 -8.38 4.91 13.10 -6.40 5.14 coo 79.18 -3.01 0.51 78.86 -4.28 -1.13 20.59 -3.79 11.26 20.06 -1.97 10.36 coo 76.37 -6.84 -5.95 78.54 -6.39 -4.23 23.05 0.50 5.53 21.22 0.35 7.67 ULMN 3 1mpy_c02 CATECHOL 2,3-DIOXYGENASE user 3 3 # 3 C 199 HIS B 101 HIS.? 5.53 O4 SO4 B 243 C 246 HIS B 102 HIS^? 13.40 O3 SO4 B 243 C 255 TYR B 197 TYR~? 17.25 O3 SO4 B 243 coo 88.23 -2.44 -2.31 86.28 -2.49 -3.06 1.10 31.39 11.62 1.04 29.37 12.19 coo 79.18 -3.01 0.51 78.86 -4.28 -1.13 -4.13 35.26 6.99 -5.90 36.34 6.69 coo 76.37 -6.84 -5.95 78.54 -6.39 -4.23 -8.04 28.46 2.86 -10.26 29.82 3.98 ULMN 3 1mpy_c02 CATECHOL 2,3-DIOXYGENASE user 4 3 # 4 C 199 HIS B 101 HIS.? 5.53 O4 SO4 B 243 C 246 HIS B 167 HIS~? -3.98 O2 SO4 B 243s C 255 TYR B 148 TYR^? 8.32 O1 SO4 B 243 coo 88.23 -2.44 -2.31 86.28 -2.49 -3.06 1.10 31.39 11.62 1.04 29.37 12.19 coo 79.18 -3.01 0.51 78.86 -4.28 -1.13 2.71 26.62 21.63 2.19 24.83 20.66 coo 76.37 -6.84 -5.95 78.54 -6.39 -4.23 -7.17 25.88 21.30 -4.84 26.54 19.90 ULMN 3 1mpy_c02 CATECHOL 2,3-DIOXYGENASE user 5 3 # 5 C 199 HIS B 101 HIS.? 5.53 O4 SO4 B 243 C 246 HIS B 167 HIS~? -3.98 O2 SO4 B 243s C 255 TYR B 222 TYR^? 7.39 O1 SO4 B 243 coo 88.23 -2.44 -2.31 86.28 -2.49 -3.06 1.10 31.39 11.62 1.04 29.37 12.19 coo 79.18 -3.01 0.51 78.86 -4.28 -1.13 2.71 26.62 21.63 2.19 24.83 20.66 coo 76.37 -6.84 -5.95 78.54 -6.39 -4.23 -3.31 22.23 21.14 -0.55 22.44 20.59 1mpy_c02 source 1mpy CATECHOL 2,3-DIOXYGENASE : 5 hits 1mpy_c02 naa= 3 ULMN 3 1mpy_c03 CATECHOL 2,3-DIOXYGENASE user 1 3 # 1 D 199 HIS A 101 HIS.? 5.49 O3 SO4 A 243 D 246 HIS A 102 HIS^? 13.43 O1 SO4 A 243 D 255 TYR A 197 TYR~? 17.30 O1 SO4 A 243 coo 48.45 6.59 -2.19 50.13 5.63 -1.41 12.44 -8.38 4.91 13.10 -6.40 5.14 coo 56.33 1.43 -3.93 56.30 0.87 -1.91 10.89 -12.56 -1.72 11.39 -13.56 -3.50 coo 57.78 -0.98 3.43 55.81 -0.18 1.59 9.27 -5.67 -7.32 11.22 -6.86 -8.96 ULMN 3 1mpy_c03 CATECHOL 2,3-DIOXYGENASE user 2 3 # 2 D 199 HIS A 101 HIS.? 5.49 O3 SO4 A 243 D 246 HIS A 167 HIS~? -3.76 O4 SO4 A 243s D 255 TYR A 222 TYR^? 7.75 O4 SO4 A 243 coo 48.45 6.59 -2.19 50.13 5.63 -1.41 12.44 -8.38 4.91 13.10 -6.40 5.14 coo 56.33 1.43 -3.93 56.30 0.87 -1.91 20.59 -3.79 11.26 20.06 -1.97 10.36 coo 57.78 -0.98 3.43 55.81 -0.18 1.59 23.05 0.50 5.53 21.22 0.35 7.67 ULMN 3 1mpy_c03 CATECHOL 2,3-DIOXYGENASE user 3 3 # 3 D 199 HIS B 101 HIS.? 5.53 O4 SO4 B 243 D 246 HIS B 102 HIS^? 13.40 O3 SO4 B 243 D 255 TYR B 197 TYR~? 17.25 O3 SO4 B 243 coo 48.45 6.59 -2.19 50.13 5.63 -1.41 1.10 31.39 11.62 1.04 29.37 12.19 coo 56.33 1.43 -3.93 56.30 0.87 -1.91 -4.13 35.26 6.99 -5.90 36.34 6.69 coo 57.78 -0.98 3.43 55.81 -0.18 1.59 -8.04 28.46 2.86 -10.26 29.82 3.98 ULMN 3 1mpy_c03 CATECHOL 2,3-DIOXYGENASE user 4 3 # 4 D 199 HIS B 101 HIS.? 5.53 O4 SO4 B 243 D 246 HIS B 167 HIS~? -3.98 O2 SO4 B 243s D 255 TYR B 222 TYR^? 7.39 O1 SO4 B 243 coo 48.45 6.59 -2.19 50.13 5.63 -1.41 1.10 31.39 11.62 1.04 29.37 12.19 coo 56.33 1.43 -3.93 56.30 0.87 -1.91 2.71 26.62 21.63 2.19 24.83 20.66 coo 57.78 -0.98 3.43 55.81 -0.18 1.59 -3.31 22.23 21.14 -0.55 22.44 20.59 ULMN 3 1mpy_c03 CATECHOL 2,3-DIOXYGENASE user 5 3 # 5 D 199 HIS B 106 HIS^? 13.01 O3 SO4 B 243 D 246 HIS B 147 HIS^? 14.18 O1 SO4 B 243 D 255 TYR B 222 TYR^? 7.39 O1 SO4 B 243 coo 48.45 6.59 -2.19 50.13 5.63 -1.41 -11.40 33.04 16.07 -11.74 35.05 16.56 coo 56.33 1.43 -3.93 56.30 0.87 -1.91 -10.85 21.55 16.70 -11.51 21.37 14.71 coo 57.78 -0.98 3.43 55.81 -0.18 1.59 -3.31 22.23 21.14 -0.55 22.44 20.59 1mpy_c03 source 1mpy CATECHOL 2,3-DIOXYGENASE : 5 hits 1mpy_c03 naa= 3 ULMN 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 1 3 # 1 A 465 GLY A 83 GLY.? 24.12 O3 SO4 A 243 A 501 ASP B 218 ASP~? 20.31 O1 SO4 B 243 B 367 TYR A 222 TYR^? 7.75 O4 SO4 A 243 coo 4.40 25.46 -23.33 5.00 25.87 -23.68 -5.18 4.73 9.69 -5.65 4.08 9.83 coo 13.82 6.17 -29.83 11.78 5.87 -29.33 -1.00 11.19 29.58 -0.84 10.48 27.56 coo 27.05 35.80 -12.24 28.72 34.05 -10.85 23.05 0.50 5.53 21.22 0.35 7.67 ULMN 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 2 3 # 2 A 465 GLY A 203 GLY.? 27.18 O3 SO4 A 243 A 501 ASP A 138 ASP.? 20.83 O2 SO4 A 243 B 367 TYR B 88 TYR^? 16.84 O4 SO4 B 243 coo 4.40 25.46 -23.33 5.00 25.87 -23.68 2.03 6.37 -11.80 1.98 5.78 -11.24 coo 13.82 6.17 -29.83 11.78 5.87 -29.33 -1.07 -12.13 0.13 -1.24 -14.06 1.00 coo 27.05 35.80 -12.24 28.72 34.05 -10.85 13.32 18.89 11.69 16.09 18.37 11.55 ULMN 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 3 3 # 3 A 465 GLY B 203 GLY.? 27.50 O1 SO4 B 243 A 501 ASP B 138 ASP.? 20.16 O4 SO4 B 243 B 367 TYR A 88 TYR^? 15.52 O3 SO4 A 243 coo 4.40 25.46 -23.33 5.00 25.87 -23.68 -8.49 16.16 -5.67 -7.94 16.77 -5.44 coo 13.82 6.17 -29.83 11.78 5.87 -29.33 3.17 35.06 -2.07 1.06 35.64 -2.11 coo 27.05 35.80 -12.24 28.72 34.05 -10.85 5.49 2.26 14.81 3.47 0.31 15.09 1mro_c00 source 1mro METHYL-COENZYME M REDUCTASE : 3 hits 1mro_c00 naa= 3 ULMN 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 1 3 # 1 D 465 GLY A 83 GLY.? 24.12 O3 SO4 A 243 D 501 ASP B 218 ASP~? 20.31 O1 SO4 B 243 E 367 TYR A 222 TYR^? 7.75 O4 SO4 A 243 coo 21.60 60.44 -42.77 21.61 59.72 -42.40 -5.18 4.73 9.69 -5.65 4.08 9.83 coo 42.23 65.30 -35.49 41.21 67.05 -36.13 -1.00 11.19 29.58 -0.84 10.48 27.56 coo 28.27 36.08 -52.91 30.75 35.88 -54.18 23.05 0.50 5.53 21.22 0.35 7.67 ULMN 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 2 3 # 2 D 465 GLY A 203 GLY.? 27.18 O3 SO4 A 243 D 501 ASP A 138 ASP.? 20.83 O2 SO4 A 243 E 367 TYR B 88 TYR^? 16.84 O4 SO4 B 243 coo 21.60 60.44 -42.77 21.61 59.72 -42.40 2.03 6.37 -11.80 1.98 5.78 -11.24 coo 42.23 65.30 -35.49 41.21 67.05 -36.13 -1.07 -12.13 0.13 -1.24 -14.06 1.00 coo 28.27 36.08 -52.91 30.75 35.88 -54.18 13.32 18.89 11.69 16.09 18.37 11.55 ULMN 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 3 3 # 3 D 465 GLY B 203 GLY.? 27.50 O1 SO4 B 243 D 501 ASP B 138 ASP.? 20.16 O4 SO4 B 243 E 367 TYR A 88 TYR^? 15.52 O3 SO4 A 243 coo 21.60 60.44 -42.77 21.61 59.72 -42.40 -8.49 16.16 -5.67 -7.94 16.77 -5.44 coo 42.23 65.30 -35.49 41.21 67.05 -36.13 3.17 35.06 -2.07 1.06 35.64 -2.11 coo 28.27 36.08 -52.91 30.75 35.88 -54.18 5.49 2.26 14.81 3.47 0.31 15.09 1mro_c01 source 1mro METHYL-COENZYME M REDUCTASE : 3 hits 1mro_c01 naa= 3 ULMN 3 1myr_c00 MYROSINASE user 1 3 # 1 187 GLN A 139 GLN.? 19.95 O3 SO4 A 243 328 ASN A 136 ASN.? 17.89 O2 SO4 A 243 409 GLU A 85 GLU^? 18.44 O3 SO4 A 243 coo 45.09 114.33 52.30 45.59 116.18 51.29 -0.79 -5.12 0.76 -2.15 -3.86 1.80 coo 41.10 116.46 52.80 42.09 116.00 54.64 0.79 -6.12 4.86 -1.05 -6.29 5.90 coo 42.69 118.64 56.27 44.58 118.34 55.45 -1.14 -2.38 7.04 -1.17 -2.16 4.90 ULMN 3 1myr_c00 MYROSINASE user 2 3 # 2 187 GLN B 139 GLN.? 20.21 O4 SO4 B 243 328 ASN B 136 ASN.? 14.49 O4 SO4 B 243 409 GLU B 85 GLU.? 16.99 O4 SO4 B 243 coo 45.09 114.33 52.30 45.59 116.18 51.29 3.87 27.89 -2.04 5.30 26.56 -2.87 coo 41.10 116.46 52.80 42.09 116.00 54.64 7.06 29.24 3.43 9.17 29.25 3.86 coo 42.69 118.64 56.27 44.58 118.34 55.45 9.76 23.94 2.05 8.62 25.57 1.44 1myr_c00 source 1myr MYROSINASE : 2 hits 1myr_c00 naa= 3 ULMN 3 1n2t_c02 L-CYSTEINE-CYSTINE LYASE C-DES user 1 3 # 1 A 114 HIS A 167 HIS~? -3.76 O4 SO4 A 243s A 197 ASP A 168 ASP~? 7.04 O4 SO4 A 243 A 223 ALA A 161 ALA.? 10.57 O1 SO4 A 243 coo -61.68 -8.94 -28.01 -61.87 -7.73 -26.31 20.59 -3.79 11.26 20.06 -1.97 10.36 coo -57.09 -14.53 -30.28 -57.60 -13.32 -28.61 22.19 -10.44 12.27 20.99 -10.59 13.96 coo -56.49 -13.76 -16.93 -57.17 -13.93 -18.30 19.60 -14.81 1.67 20.12 -16.10 2.33 ULMN 3 1n2t_c02 L-CYSTEINE-CYSTINE LYASE C-DES user 2 3 # 2 A 114 HIS B 167 HIS~? -3.98 O2 SO4 B 243s A 197 ASP B 168 ASP~? 6.50 O2 SO4 B 243 A 223 ALA B 161 ALA.? 10.66 O3 SO4 B 243 coo -61.68 -8.94 -28.01 -61.87 -7.73 -26.31 2.71 26.62 21.63 2.19 24.83 20.66 coo -57.09 -14.53 -30.28 -57.60 -13.32 -28.61 3.03 33.25 23.92 5.06 33.14 23.36 coo -56.49 -13.76 -16.93 -57.17 -13.93 -18.30 -5.41 37.41 16.11 -5.31 38.82 16.75 1n2t_c02 source 1n2t L-CYSTEINE-CYSTINE LYASE C-DES : 2 hits 1n2t_c02 naa= 3 ULMN 3 1n2t_c03 L-CYSTEINE-CYSTINE LYASE C-DES user 1 3 # 1 B 114 HIS A 167 HIS~? -3.76 O4 SO4 A 243s B 197 ASP A 168 ASP~? 7.04 O4 SO4 A 243 B 223 ALA A 161 ALA.? 10.57 O1 SO4 A 243 coo -32.24 6.73 -26.90 -32.01 5.24 -25.44 20.59 -3.79 11.26 20.06 -1.97 10.36 coo -36.83 12.62 -28.19 -36.31 11.10 -26.78 22.19 -10.44 12.27 20.99 -10.59 13.96 coo -37.23 9.70 -15.15 -36.60 10.10 -16.48 19.60 -14.81 1.67 20.12 -16.10 2.33 ULMN 3 1n2t_c03 L-CYSTEINE-CYSTINE LYASE C-DES user 2 3 # 2 B 114 HIS B 167 HIS~? -3.98 O2 SO4 B 243s B 197 ASP B 168 ASP~? 6.50 O2 SO4 B 243 B 223 ALA B 161 ALA.? 10.66 O3 SO4 B 243 coo -32.24 6.73 -26.90 -32.01 5.24 -25.44 2.71 26.62 21.63 2.19 24.83 20.66 coo -36.83 12.62 -28.19 -36.31 11.10 -26.78 3.03 33.25 23.92 5.06 33.14 23.36 coo -37.23 9.70 -15.15 -36.60 10.10 -16.48 -5.41 37.41 16.11 -5.31 38.82 16.75 1n2t_c03 source 1n2t L-CYSTEINE-CYSTINE LYASE C-DES : 2 hits 1n2t_c03 naa= 3 ULMN 3 1ni4_c00 PYRUVATE DEHYDROGENASE E1 COMPONENT:user 1 3 # 1 B 59 GLU A 193 GLU~? 18.22 O3 SO4 A 243 B 128 HIS A 102 HIS^? 13.43 O1 SO4 A 243 C 263 HIS A 106 HIS^? 13.08 O1 SO4 A 243 coo 6.12 5.94 82.00 7.16 6.32 83.81 11.64 -2.46 -10.15 13.74 -2.34 -9.81 coo 12.51 16.35 80.99 13.16 14.90 82.37 10.89 -12.56 -1.72 11.39 -13.56 -3.50 coo 11.58 14.94 93.26 12.25 14.03 91.50 22.50 -10.50 -3.88 23.13 -12.51 -3.91 ULMN 3 1ni4_c00 PYRUVATE DEHYDROGENASE E1 COMPONENT:user 2 3 # 2 B 59 GLU A 193 GLU~? 18.22 O3 SO4 A 243 B 128 HIS A 147 HIS^? 14.45 O3 SO4 A 243 C 263 HIS A 106 HIS^? 13.08 O1 SO4 A 243 coo 6.12 5.94 82.00 7.16 6.32 83.81 11.64 -2.46 -10.15 13.74 -2.34 -9.81 coo 12.51 16.35 80.99 13.16 14.90 82.37 22.73 1.14 -3.20 21.31 1.29 -4.76 coo 11.58 14.94 93.26 12.25 14.03 91.50 22.50 -10.50 -3.88 23.13 -12.51 -3.91 ULMN 3 1ni4_c00 PYRUVATE DEHYDROGENASE E1 COMPONENT:user 3 3 # 3 B 59 GLU B 193 GLU~? 18.43 O1 SO4 B 243 B 128 HIS B 102 HIS^? 13.40 O3 SO4 B 243 C 263 HIS B 106 HIS^? 13.01 O3 SO4 B 243 coo 6.12 5.94 82.00 7.16 6.32 83.81 -11.89 25.08 3.55 -12.49 24.58 5.53 coo 12.51 16.35 80.99 13.16 14.90 82.37 -4.13 35.26 6.99 -5.90 36.34 6.69 coo 11.58 14.94 93.26 12.25 14.03 91.50 -11.40 33.04 16.07 -11.74 35.05 16.56 ULMN 3 1ni4_c00 PYRUVATE DEHYDROGENASE E1 COMPONENT:user 4 3 # 4 B 59 GLU B 193 GLU~? 18.43 O1 SO4 B 243 B 128 HIS B 147 HIS^? 14.18 O1 SO4 B 243 C 263 HIS B 106 HIS^? 13.01 O3 SO4 B 243 coo 6.12 5.94 82.00 7.16 6.32 83.81 -11.89 25.08 3.55 -12.49 24.58 5.53 coo 12.51 16.35 80.99 13.16 14.90 82.37 -10.85 21.55 16.70 -11.51 21.37 14.71 coo 11.58 14.94 93.26 12.25 14.03 91.50 -11.40 33.04 16.07 -11.74 35.05 16.56 1ni4_c00 source 1ni4 PYRUVATE DEHYDROGENASE E1 COMPONENT: ALPHA SUB: 4 hits 1ni4_c00 naa= 3 ULMN 3 1ni4_c01 PYRUVATE DEHYDROGENASE E1 COMPONENT:user 1 3 # 1 A 263 HIS A 106 HIS^? 13.08 O1 SO4 A 243 D 59 GLU A 193 GLU~? 18.22 O3 SO4 A 243 D 128 HIS A 102 HIS^? 13.43 O1 SO4 A 243 coo 8.65 -19.64 67.59 7.76 -17.92 68.39 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo 12.72 -5.58 71.72 12.08 -7.54 72.22 11.64 -2.46 -10.15 13.74 -2.34 -9.81 coo 4.03 -8.95 63.85 3.80 -9.89 65.71 10.89 -12.56 -1.72 11.39 -13.56 -3.50 ULMN 3 1ni4_c01 PYRUVATE DEHYDROGENASE E1 COMPONENT:user 2 3 # 2 A 263 HIS A 106 HIS^? 13.08 O1 SO4 A 243 D 59 GLU A 193 GLU~? 18.22 O3 SO4 A 243 D 128 HIS A 147 HIS^? 14.45 O3 SO4 A 243 coo 8.65 -19.64 67.59 7.76 -17.92 68.39 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo 12.72 -5.58 71.72 12.08 -7.54 72.22 11.64 -2.46 -10.15 13.74 -2.34 -9.81 coo 4.03 -8.95 63.85 3.80 -9.89 65.71 22.73 1.14 -3.20 21.31 1.29 -4.76 ULMN 3 1ni4_c01 PYRUVATE DEHYDROGENASE E1 COMPONENT:user 3 3 # 3 A 263 HIS B 106 HIS^? 13.01 O3 SO4 B 243 D 59 GLU B 193 GLU~? 18.43 O1 SO4 B 243 D 128 HIS B 102 HIS^? 13.40 O3 SO4 B 243 coo 8.65 -19.64 67.59 7.76 -17.92 68.39 -11.40 33.04 16.07 -11.74 35.05 16.56 coo 12.72 -5.58 71.72 12.08 -7.54 72.22 -11.89 25.08 3.55 -12.49 24.58 5.53 coo 4.03 -8.95 63.85 3.80 -9.89 65.71 -4.13 35.26 6.99 -5.90 36.34 6.69 ULMN 3 1ni4_c01 PYRUVATE DEHYDROGENASE E1 COMPONENT:user 4 3 # 4 A 263 HIS B 106 HIS^? 13.01 O3 SO4 B 243 D 59 GLU B 193 GLU~? 18.43 O1 SO4 B 243 D 128 HIS B 147 HIS^? 14.18 O1 SO4 B 243 coo 8.65 -19.64 67.59 7.76 -17.92 68.39 -11.40 33.04 16.07 -11.74 35.05 16.56 coo 12.72 -5.58 71.72 12.08 -7.54 72.22 -11.89 25.08 3.55 -12.49 24.58 5.53 coo 4.03 -8.95 63.85 3.80 -9.89 65.71 -10.85 21.55 16.70 -11.51 21.37 14.71 1ni4_c01 source 1ni4 PYRUVATE DEHYDROGENASE E1 COMPONENT: ALPHA SUB: 4 hits 1ni4_c01 naa= 3 ULMN 3 1nsf_c00 N-ETHYLMALEIMIDE SENSITIVE FACTOR user 1 3 # 1 549 LYS A 211 LYS^? 6.62 O3 SO4 A 243 631 LYS B 211 LYS^? 7.04 O1 SO4 B 243 708 LYS A 118 LYS~? 14.73 O3 SO4 A 243 coo 8.61 33.06 11.15 10.12 29.19 8.82 17.59 6.59 4.81 17.28 1.50 8.69 coo -11.99 27.40 17.14 -13.60 24.52 11.71 -1.16 16.10 16.00 2.65 20.89 17.79 coo 18.16 32.86 9.85 16.06 28.20 13.56 25.35 9.54 0.37 20.43 7.24 0.70 ULMN 3 1nsf_c00 N-ETHYLMALEIMIDE SENSITIVE FACTOR user 2 3 # 2 549 LYS B 211 LYS^? 7.04 O1 SO4 B 243 631 LYS A 211 LYS^? 6.62 O3 SO4 A 243 708 LYS B 118 LYS~? 15.88 O1 SO4 B 243 coo 8.61 33.06 11.15 10.12 29.19 8.82 -1.16 16.10 16.00 2.65 20.89 17.79 coo -11.99 27.40 17.14 -13.60 24.52 11.71 17.59 6.59 4.81 17.28 1.50 8.69 coo 18.16 32.86 9.85 16.06 28.20 13.56 -8.85 13.11 20.72 -7.39 14.71 15.31 1nsf_c00 source 1nsf N-ETHYLMALEIMIDE SENSITIVE FACTOR : 2 hits 1nsf_c00 naa= 3 ULMN 3 1nu3_c00 LIMONENE-1,2-EPOXIDE HYDROLASE user 1 3 # 1 A 99 ARG A 232 ARG.? 20.27 O3 SO4 A 243 A 101 ASP A 199 ASP~? 23.37 O3 SO4 A 243 A 132 ASP A 204 ASP.? 25.99 O3 SO4 A 243 coo 11.61 22.83 17.30 14.06 21.71 15.78 -0.55 -1.37 -0.24 0.04 -2.25 -3.11 coo 11.37 24.94 11.48 12.48 24.45 13.28 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 coo 16.14 18.17 13.37 15.92 19.81 14.71 0.25 4.29 -7.71 -1.48 3.39 -8.50 ULMN 3 1nu3_c00 LIMONENE-1,2-EPOXIDE HYDROLASE user 2 3 # 2 A 99 ARG B 232 ARG.? 20.69 O1 SO4 B 243 A 101 ASP B 199 ASP~? 23.68 O1 SO4 B 243 A 132 ASP B 204 ASP.? 26.31 O1 SO4 B 243 coo 11.61 22.83 17.30 14.06 21.71 15.78 2.95 23.97 -2.41 0.09 24.88 -3.25 coo 11.37 24.94 11.48 12.48 24.45 13.28 -3.04 28.39 -4.12 -2.88 29.28 -6.05 coo 16.14 18.17 13.37 15.92 19.81 14.71 -4.03 18.39 -5.24 -3.87 19.29 -7.14 1nu3_c00 source 1nu3 LIMONENE-1,2-EPOXIDE HYDROLASE : 2 hits 1nu3_c00 naa= 3 ULMN 3 1nu3_c01 LIMONENE-1,2-EPOXIDE HYDROLASE user 1 3 # 1 B 99 ARG A 232 ARG.? 20.27 O3 SO4 A 243 B 101 ASP A 199 ASP~? 23.37 O3 SO4 A 243 B 132 ASP A 204 ASP.? 25.99 O3 SO4 A 243 coo 11.61 3.43 18.38 9.11 4.29 16.86 -0.55 -1.37 -0.24 0.04 -2.25 -3.11 coo 11.74 0.51 12.98 10.75 1.32 14.67 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 coo 6.93 7.52 14.08 7.18 6.08 15.65 0.25 4.29 -7.71 -1.48 3.39 -8.50 ULMN 3 1nu3_c01 LIMONENE-1,2-EPOXIDE HYDROLASE user 2 3 # 2 B 99 ARG B 232 ARG.? 20.69 O1 SO4 B 243 B 101 ASP B 199 ASP~? 23.68 O1 SO4 B 243 B 132 ASP B 204 ASP.? 26.31 O1 SO4 B 243 coo 11.61 3.43 18.38 9.11 4.29 16.86 2.95 23.97 -2.41 0.09 24.88 -3.25 coo 11.74 0.51 12.98 10.75 1.32 14.67 -3.04 28.39 -4.12 -2.88 29.28 -6.05 coo 6.93 7.52 14.08 7.18 6.08 15.65 -4.03 18.39 -5.24 -3.87 19.29 -7.14 1nu3_c01 source 1nu3 LIMONENE-1,2-EPOXIDE HYDROLASE : 2 hits 1nu3_c01 naa= 3 ULMN 3 1nww_c02 LIMONENE-1,2-EPOXIDE HYDROLASE user 1 3 # 1 A 99 ARG A 232 ARG.? 20.27 O3 SO4 A 243 A 101 ASP A 199 ASP~? 23.37 O3 SO4 A 243 A 132 ASP A 204 ASP.? 25.99 O3 SO4 A 243 coo 11.50 22.77 17.24 14.00 21.62 15.86 -0.55 -1.37 -0.24 0.04 -2.25 -3.11 coo 11.19 25.00 11.76 12.16 24.45 13.59 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 coo 16.04 18.11 13.43 15.88 19.70 14.83 0.25 4.29 -7.71 -1.48 3.39 -8.50 ULMN 3 1nww_c02 LIMONENE-1,2-EPOXIDE HYDROLASE user 2 3 # 2 A 99 ARG B 232 ARG.? 20.69 O1 SO4 B 243 A 101 ASP B 199 ASP~? 23.68 O1 SO4 B 243 A 132 ASP B 204 ASP.? 26.31 O1 SO4 B 243 coo 11.50 22.77 17.24 14.00 21.62 15.86 2.95 23.97 -2.41 0.09 24.88 -3.25 coo 11.19 25.00 11.76 12.16 24.45 13.59 -3.04 28.39 -4.12 -2.88 29.28 -6.05 coo 16.04 18.11 13.43 15.88 19.70 14.83 -4.03 18.39 -5.24 -3.87 19.29 -7.14 1nww_c02 source 1nww LIMONENE-1,2-EPOXIDE HYDROLASE : 2 hits 1nww_c02 naa= 3 ULMN 3 1nww_c03 LIMONENE-1,2-EPOXIDE HYDROLASE user 1 3 # 1 B 99 ARG A 232 ARG.? 20.27 O3 SO4 A 243 B 101 ASP A 199 ASP~? 23.37 O3 SO4 A 243 B 132 ASP A 204 ASP.? 25.99 O3 SO4 A 243 coo 11.48 3.09 18.25 9.01 4.07 16.77 -0.55 -1.37 -0.24 0.04 -2.25 -3.11 coo 11.83 0.33 13.01 10.88 1.04 14.81 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 coo 6.85 7.33 14.07 7.10 5.88 15.60 0.25 4.29 -7.71 -1.48 3.39 -8.50 ULMN 3 1nww_c03 LIMONENE-1,2-EPOXIDE HYDROLASE user 2 3 # 2 B 99 ARG B 232 ARG.? 20.69 O1 SO4 B 243 B 101 ASP B 199 ASP~? 23.68 O1 SO4 B 243 B 132 ASP B 204 ASP.? 26.31 O1 SO4 B 243 coo 11.48 3.09 18.25 9.01 4.07 16.77 2.95 23.97 -2.41 0.09 24.88 -3.25 coo 11.83 0.33 13.01 10.88 1.04 14.81 -3.04 28.39 -4.12 -2.88 29.28 -6.05 coo 6.85 7.33 14.07 7.10 5.88 15.60 -4.03 18.39 -5.24 -3.87 19.29 -7.14 1nww_c03 source 1nww LIMONENE-1,2-EPOXIDE HYDROLASE : 2 hits 1nww_c03 naa= 3 ULMN 3 1o98_c00 2,3-BISPHOSPHOGLYCERATE-INDEPENDENT user 1 3 # 1 A 62 SER A 105 SER^? 14.75 O1 SO4 A 243 A 154 ASP A 162 ASP.? 11.51 O1 SO4 A 243 A 261 ARG A 132 ARG^? -2.74 O1 SO4 A 243s coo 16.10 74.10 3.11 17.18 73.52 5.20 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo 16.07 84.71 8.14 15.20 82.81 8.14 14.78 -15.75 1.96 14.18 -15.13 0.01 coo 10.59 77.85 4.81 13.09 76.36 5.76 16.18 -7.91 2.07 16.78 -6.68 4.89 ULMN 3 1o98_c00 2,3-BISPHOSPHOGLYCERATE-INDEPENDENT user 2 3 # 2 A 62 SER A 165 SER~? -3.54 O4 SO4 A 243s A 154 ASP A 162 ASP.? 11.51 O1 SO4 A 243 A 261 ARG A 132 ARG^? -2.74 O1 SO4 A 243s coo 16.10 74.10 3.11 17.18 73.52 5.20 19.07 -9.91 9.21 19.35 -8.74 11.27 coo 16.07 84.71 8.14 15.20 82.81 8.14 14.78 -15.75 1.96 14.18 -15.13 0.01 coo 10.59 77.85 4.81 13.09 76.36 5.76 16.18 -7.91 2.07 16.78 -6.68 4.89 ULMN 3 1o98_c00 2,3-BISPHOSPHOGLYCERATE-INDEPENDENT user 3 3 # 3 A 62 SER B 105 SER^? 14.66 O3 SO4 B 243 A 154 ASP B 162 ASP.? 11.47 O3 SO4 B 243 A 261 ARG B 132 ARG^? -2.94 O3 SO4 B 243s coo 16.10 74.10 3.11 17.18 73.52 5.20 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 16.07 84.71 8.14 15.20 82.81 8.14 -2.91 38.69 12.19 -3.85 37.85 10.43 coo 10.59 77.85 4.81 13.09 76.36 5.76 -3.03 30.55 13.28 -1.00 29.32 15.28 ULMN 3 1o98_c00 2,3-BISPHOSPHOGLYCERATE-INDEPENDENT user 4 3 # 4 A 62 SER B 165 SER~? -3.42 O2 SO4 B 243s A 154 ASP B 162 ASP.? 11.47 O3 SO4 B 243 A 261 ARG B 132 ARG^? -2.94 O3 SO4 B 243s coo 16.10 74.10 3.11 17.18 73.52 5.20 1.56 32.88 19.47 3.32 31.88 20.79 coo 16.07 84.71 8.14 15.20 82.81 8.14 -2.91 38.69 12.19 -3.85 37.85 10.43 coo 10.59 77.85 4.81 13.09 76.36 5.76 -3.03 30.55 13.28 -1.00 29.32 15.28 1o98_c00 source 1o98 2,3-BISPHOSPHOGLYCERATE-INDEPENDENT PHOSPHOGLY: 4 hits 1o98_c00 naa= 3 ULMN 3 1ok4_c00 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 1 3 # 1 A 24 ASP A 168 ASP~? 7.04 O4 SO4 A 243 A 146 TYR A 174 TYR~? 13.06 O4 SO4 A 243 A 177 LYS A 175 LYS~? 15.75 O4 SO4 A 243 coo -3.50 124.89 25.05 -2.25 124.77 23.26 22.19 -10.44 12.27 20.99 -10.59 13.96 coo 1.87 119.38 16.45 1.41 122.11 16.84 31.39 -6.57 8.03 31.19 -7.97 5.66 coo -2.59 124.07 12.67 -0.91 126.17 18.42 31.71 -5.61 14.13 32.23 -10.41 15.70 ULMN 3 1ok4_c00 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 2 3 # 2 A 24 ASP B 168 ASP~? 6.50 O2 SO4 B 243 A 146 TYR B 174 TYR~? 13.14 O2 SO4 B 243 A 177 LYS B 175 LYS~? 16.29 O2 SO4 B 243 coo -3.50 124.89 25.05 -2.25 124.77 23.26 3.03 33.25 23.92 5.06 33.14 23.36 coo 1.87 119.38 16.45 1.41 122.11 16.84 -5.23 29.34 29.67 -7.24 30.79 28.42 coo -2.59 124.07 12.67 -0.91 126.17 18.42 -0.06 28.25 32.86 0.77 33.04 34.82 1ok4_c00 source 1ok4 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASS I : 2 hits 1ok4_c00 naa= 3 ULMN 3 1ok4_c01 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 1 3 # 1 B 24 ASP A 168 ASP~? 7.04 O4 SO4 A 243 B 146 TYR A 174 TYR~? 13.06 O4 SO4 A 243 B 177 LYS A 175 LYS~? 15.75 O4 SO4 A 243 coo -7.43 109.06 51.23 -5.84 110.54 50.86 22.19 -10.44 12.27 20.99 -10.59 13.96 coo 0.22 114.56 44.62 -0.76 115.18 47.18 31.39 -6.57 8.03 31.19 -7.97 5.66 coo -4.18 120.17 46.85 -4.02 115.31 51.00 31.71 -5.61 14.13 32.23 -10.41 15.70 ULMN 3 1ok4_c01 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 2 3 # 2 B 24 ASP B 168 ASP~? 6.50 O2 SO4 B 243 B 146 TYR B 174 TYR~? 13.14 O2 SO4 B 243 B 177 LYS B 175 LYS~? 16.29 O2 SO4 B 243 coo -7.43 109.06 51.23 -5.84 110.54 50.86 3.03 33.25 23.92 5.06 33.14 23.36 coo 0.22 114.56 44.62 -0.76 115.18 47.18 -5.23 29.34 29.67 -7.24 30.79 28.42 coo -4.18 120.17 46.85 -4.02 115.31 51.00 -0.06 28.25 32.86 0.77 33.04 34.82 1ok4_c01 source 1ok4 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASS I : 2 hits 1ok4_c01 naa= 3 ULMN 3 1ok4_c02 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 1 3 # 1 C 24 ASP A 168 ASP~? 7.04 O4 SO4 A 243 C 146 TYR A 174 TYR~? 13.06 O4 SO4 A 243 C 177 LYS A 175 LYS~? 15.75 O4 SO4 A 243 coo -13.49 79.65 43.90 -12.13 80.29 45.45 22.19 -10.44 12.27 20.99 -10.59 13.96 coo -5.65 86.78 48.49 -7.16 84.72 49.65 31.39 -6.57 8.03 31.19 -7.97 5.66 coo -11.22 87.18 53.49 -10.94 81.64 50.31 31.71 -5.61 14.13 32.23 -10.41 15.70 ULMN 3 1ok4_c02 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 2 3 # 2 C 24 ASP B 168 ASP~? 6.50 O2 SO4 B 243 C 146 TYR B 174 TYR~? 13.14 O2 SO4 B 243 C 177 LYS B 175 LYS~? 16.29 O2 SO4 B 243 coo -13.49 79.65 43.90 -12.13 80.29 45.45 3.03 33.25 23.92 5.06 33.14 23.36 coo -5.65 86.78 48.49 -7.16 84.72 49.65 -5.23 29.34 29.67 -7.24 30.79 28.42 coo -11.22 87.18 53.49 -10.94 81.64 50.31 -0.06 28.25 32.86 0.77 33.04 34.82 1ok4_c02 source 1ok4 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASS I : 2 hits 1ok4_c02 naa= 3 ULMN 3 1ok4_c03 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 1 3 # 1 D 24 ASP A 168 ASP~? 7.04 O4 SO4 A 243 D 146 TYR A 174 TYR~? 13.06 O4 SO4 A 243 D 177 LYS A 175 LYS~? 15.75 O4 SO4 A 243 coo -13.44 77.36 13.12 -12.53 75.97 14.48 22.19 -10.44 12.27 20.99 -10.59 13.96 coo -7.85 74.44 22.75 -9.22 72.86 20.89 31.39 -6.57 8.03 31.19 -7.97 5.66 coo -14.24 70.61 23.48 -12.55 71.73 17.42 31.71 -5.61 14.13 32.23 -10.41 15.70 ULMN 3 1ok4_c03 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 2 3 # 2 D 24 ASP B 168 ASP~? 6.50 O2 SO4 B 243 D 146 TYR B 174 TYR~? 13.14 O2 SO4 B 243 D 177 LYS B 175 LYS~? 16.29 O2 SO4 B 243 coo -13.44 77.36 13.12 -12.53 75.97 14.48 3.03 33.25 23.92 5.06 33.14 23.36 coo -7.85 74.44 22.75 -9.22 72.86 20.89 -5.23 29.34 29.67 -7.24 30.79 28.42 coo -14.24 70.61 23.48 -12.55 71.73 17.42 -0.06 28.25 32.86 0.77 33.04 34.82 1ok4_c03 source 1ok4 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASS I : 2 hits 1ok4_c03 naa= 3 ULMN 3 1ok4_c04 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 1 3 # 1 E 24 ASP A 168 ASP~? 7.04 O4 SO4 A 243 E 146 TYR A 174 TYR~? 13.06 O4 SO4 A 243 E 177 LYS A 175 LYS~? 15.75 O4 SO4 A 243 coo -7.12 105.25 1.43 -6.30 103.34 0.77 22.19 -10.44 12.27 20.99 -10.59 13.96 coo -3.11 94.55 3.01 -3.83 95.92 0.66 31.39 -6.57 8.03 31.19 -7.97 5.66 coo -8.77 93.34 -1.70 -6.28 99.15 -2.21 31.71 -5.61 14.13 32.23 -10.41 15.70 ULMN 3 1ok4_c04 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 2 3 # 2 E 24 ASP B 168 ASP~? 6.50 O2 SO4 B 243 E 146 TYR B 174 TYR~? 13.14 O2 SO4 B 243 E 177 LYS B 175 LYS~? 16.29 O2 SO4 B 243 coo -7.12 105.25 1.43 -6.30 103.34 0.77 3.03 33.25 23.92 5.06 33.14 23.36 coo -3.11 94.55 3.01 -3.83 95.92 0.66 -5.23 29.34 29.67 -7.24 30.79 28.42 coo -8.77 93.34 -1.70 -6.28 99.15 -2.21 -0.06 28.25 32.86 0.77 33.04 34.82 1ok4_c04 source 1ok4 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASS I : 2 hits 1ok4_c04 naa= 3 ULMN 3 1ok4_c05 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 1 3 # 1 F 24 ASP A 168 ASP~? 7.04 O4 SO4 A 243 F 146 TYR A 174 TYR~? 13.06 O4 SO4 A 243 F 177 LYS A 175 LYS~? 15.75 O4 SO4 A 243 coo -44.75 128.15 10.28 -45.68 129.67 11.55 22.19 -10.44 12.27 20.99 -10.59 13.96 coo -50.43 131.90 19.60 -49.04 133.31 17.60 31.39 -6.57 8.03 31.19 -7.97 5.66 coo -44.10 135.86 19.99 -45.67 134.21 14.07 31.71 -5.61 14.13 32.23 -10.41 15.70 ULMN 3 1ok4_c05 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 2 3 # 2 F 24 ASP B 168 ASP~? 6.50 O2 SO4 B 243 F 146 TYR B 174 TYR~? 13.14 O2 SO4 B 243 F 177 LYS B 175 LYS~? 16.29 O2 SO4 B 243 coo -44.75 128.15 10.28 -45.68 129.67 11.55 3.03 33.25 23.92 5.06 33.14 23.36 coo -50.43 131.90 19.60 -49.04 133.31 17.60 -5.23 29.34 29.67 -7.24 30.79 28.42 coo -44.10 135.86 19.99 -45.67 134.21 14.07 -0.06 28.25 32.86 0.77 33.04 34.82 1ok4_c05 source 1ok4 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASS I : 2 hits 1ok4_c05 naa= 3 ULMN 3 1ok4_c06 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 1 3 # 1 G 24 ASP A 168 ASP~? 7.04 O4 SO4 A 243 G 146 TYR A 174 TYR~? 13.06 O4 SO4 A 243 G 177 LYS A 175 LYS~? 15.75 O4 SO4 A 243 coo -44.97 128.78 41.20 -46.32 128.26 42.83 22.19 -10.44 12.27 20.99 -10.59 13.96 coo -52.83 122.13 46.42 -51.31 124.30 47.39 31.39 -6.57 8.03 31.19 -7.97 5.66 coo -47.30 122.24 51.49 -47.46 127.44 47.81 31.71 -5.61 14.13 32.23 -10.41 15.70 ULMN 3 1ok4_c06 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 2 3 # 2 G 24 ASP B 168 ASP~? 6.50 O2 SO4 B 243 G 146 TYR B 174 TYR~? 13.14 O2 SO4 B 243 G 177 LYS B 175 LYS~? 16.29 O2 SO4 B 243 coo -44.97 128.78 41.20 -46.32 128.26 42.83 3.03 33.25 23.92 5.06 33.14 23.36 coo -52.83 122.13 46.42 -51.31 124.30 47.39 -5.23 29.34 29.67 -7.24 30.79 28.42 coo -47.30 122.24 51.49 -47.46 127.44 47.81 -0.06 28.25 32.86 0.77 33.04 34.82 1ok4_c06 source 1ok4 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASS I : 2 hits 1ok4_c06 naa= 3 ULMN 3 1ok4_c07 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 1 3 # 1 H 24 ASP A 168 ASP~? 7.04 O4 SO4 A 243 H 146 TYR A 174 TYR~? 13.06 O4 SO4 A 243 H 177 LYS A 175 LYS~? 15.75 O4 SO4 A 243 coo -51.11 100.30 51.41 -52.67 98.82 51.12 22.19 -10.44 12.27 20.99 -10.59 13.96 coo -58.70 94.17 45.32 -57.76 93.82 47.92 31.39 -6.57 8.03 31.19 -7.97 5.66 coo -54.32 88.79 48.13 -54.61 94.04 51.74 31.71 -5.61 14.13 32.23 -10.41 15.70 ULMN 3 1ok4_c07 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 2 3 # 2 H 24 ASP B 168 ASP~? 6.50 O2 SO4 B 243 H 146 TYR B 174 TYR~? 13.14 O2 SO4 B 243 H 177 LYS B 175 LYS~? 16.29 O2 SO4 B 243 coo -51.11 100.30 51.41 -52.67 98.82 51.12 3.03 33.25 23.92 5.06 33.14 23.36 coo -58.70 94.17 45.32 -57.76 93.82 47.92 -5.23 29.34 29.67 -7.24 30.79 28.42 coo -54.32 88.79 48.13 -54.61 94.04 51.74 -0.06 28.25 32.86 0.77 33.04 34.82 1ok4_c07 source 1ok4 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASS I : 2 hits 1ok4_c07 naa= 3 ULMN 3 1ok4_c08 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 1 3 # 1 I 24 ASP A 168 ASP~? 7.04 O4 SO4 A 243 I 146 TYR A 174 TYR~? 13.06 O4 SO4 A 243 I 177 LYS A 175 LYS~? 15.75 O4 SO4 A 243 coo -54.65 81.97 26.87 -55.88 81.89 25.07 22.19 -10.44 12.27 20.99 -10.59 13.96 coo -59.92 86.62 17.74 -59.42 83.94 18.40 31.39 -6.57 8.03 31.19 -7.97 5.66 coo -55.38 81.61 14.50 -57.11 80.05 20.41 31.71 -5.61 14.13 32.23 -10.41 15.70 ULMN 3 1ok4_c08 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 2 3 # 2 I 24 ASP B 168 ASP~? 6.50 O2 SO4 B 243 I 146 TYR B 174 TYR~? 13.14 O2 SO4 B 243 I 177 LYS B 175 LYS~? 16.29 O2 SO4 B 243 coo -54.65 81.97 26.87 -55.88 81.89 25.07 3.03 33.25 23.92 5.06 33.14 23.36 coo -59.92 86.62 17.74 -59.42 83.94 18.40 -5.23 29.34 29.67 -7.24 30.79 28.42 coo -55.38 81.61 14.50 -57.11 80.05 20.41 -0.06 28.25 32.86 0.77 33.04 34.82 1ok4_c08 source 1ok4 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASS I : 2 hits 1ok4_c08 naa= 3 ULMN 3 1ok4_c09 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 1 3 # 1 J 24 ASP A 168 ASP~? 7.04 O4 SO4 A 243 J 146 TYR A 174 TYR~? 13.06 O4 SO4 A 243 J 177 LYS A 175 LYS~? 15.75 O4 SO4 A 243 coo -50.64 99.08 1.52 -51.52 100.83 0.67 22.19 -10.44 12.27 20.99 -10.59 13.96 coo -54.74 109.84 1.86 -54.04 108.22 -0.34 31.39 -6.57 8.03 31.19 -7.97 5.66 coo -49.01 110.53 -2.89 -51.59 104.72 -2.78 31.71 -5.61 14.13 32.23 -10.41 15.70 ULMN 3 1ok4_c09 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 2 3 # 2 J 24 ASP B 168 ASP~? 6.50 O2 SO4 B 243 J 146 TYR B 174 TYR~? 13.14 O2 SO4 B 243 J 177 LYS B 175 LYS~? 16.29 O2 SO4 B 243 coo -50.64 99.08 1.52 -51.52 100.83 0.67 3.03 33.25 23.92 5.06 33.14 23.36 coo -54.74 109.84 1.86 -54.04 108.22 -0.34 -5.23 29.34 29.67 -7.24 30.79 28.42 coo -49.01 110.53 -2.89 -51.59 104.72 -2.78 -0.06 28.25 32.86 0.77 33.04 34.82 1ok4_c09 source 1ok4 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASS I : 2 hits 1ok4_c09 naa= 3 ULMN 3 1onr_c00 TRANSALDOLASE B user 1 3 # 1 A 17 ASP A 162 ASP.? 11.51 O1 SO4 A 243 A 96 GLU A 144 GLU^? 5.14 O3 SO4 A 243 A 132 LYS A 131 LYS^? 17.03 O1 SO4 A 243 coo 31.23 12.29 16.44 30.82 11.56 18.39 14.78 -15.75 1.96 14.18 -15.13 0.01 coo 26.82 3.20 24.36 27.99 4.86 24.98 15.10 -1.99 1.69 15.82 -3.30 3.21 coo 29.99 0.62 22.18 30.38 6.69 20.81 16.33 -5.43 -3.31 16.51 -3.10 -9.13 ULMN 3 1onr_c00 TRANSALDOLASE B user 2 3 # 2 A 17 ASP A 210 ASP^? 16.17 O3 SO4 A 243 A 96 GLU A 117 GLU~? 25.40 O3 SO4 A 243 A 132 LYS A 113 LYS~? 30.41 O3 SO4 A 243 coo 31.23 12.29 16.44 30.82 11.56 18.39 15.65 9.10 1.05 17.66 9.20 0.39 coo 26.82 3.20 24.36 27.99 4.86 24.98 27.34 13.07 -4.01 26.27 14.77 -4.79 coo 29.99 0.62 22.18 30.38 6.69 20.81 26.35 9.86 -8.18 28.43 13.70 -12.96 ULMN 3 1onr_c00 TRANSALDOLASE B user 3 3 # 3 A 17 ASP B 162 ASP.? 11.47 O3 SO4 B 243 A 96 GLU B 144 GLU^? 5.26 O1 SO4 B 243 A 132 LYS B 131 LYS^? 17.11 O1 SO4 B 243 coo 31.23 12.29 16.44 30.82 11.56 18.39 -2.91 38.69 12.19 -3.85 37.85 10.43 coo 26.82 3.20 24.36 27.99 4.86 24.98 -2.94 24.68 12.26 -2.09 26.04 13.69 coo 29.99 0.62 22.18 30.38 6.69 20.81 -7.93 28.07 10.94 -13.10 25.67 8.39 ULMN 3 1onr_c00 TRANSALDOLASE B user 4 3 # 4 A 17 ASP B 210 ASP^? 16.02 O1 SO4 B 243 A 96 GLU B 117 GLU~? 24.79 O1 SO4 B 243 A 132 LYS B 113 LYS~? 30.21 O1 SO4 B 243 coo 31.23 12.29 16.44 30.82 11.56 18.39 -3.61 13.59 12.62 -5.22 13.58 13.96 coo 26.82 3.20 24.36 27.99 4.86 24.98 -13.76 9.47 20.61 -15.59 10.28 21.49 coo 29.99 0.62 22.18 30.38 6.69 20.81 -16.92 12.76 17.51 -22.08 8.80 17.21 1onr_c00 source 1onr TRANSALDOLASE B : 4 hits 1onr_c00 naa= 3 ULMN 3 1onr_c01 TRANSALDOLASE B user 1 3 # 1 B 17 ASP A 162 ASP.? 11.51 O1 SO4 A 243 B 96 GLU A 144 GLU^? 5.14 O3 SO4 A 243 B 132 LYS A 131 LYS^? 17.03 O1 SO4 A 243 coo 31.16 57.31 -0.94 30.73 56.64 1.01 14.78 -15.75 1.96 14.18 -15.13 0.01 coo 26.69 48.45 7.18 27.85 50.13 7.74 15.10 -1.99 1.69 15.82 -3.30 3.21 coo 29.82 45.80 5.07 30.26 51.81 3.56 16.33 -5.43 -3.31 16.51 -3.10 -9.13 ULMN 3 1onr_c01 TRANSALDOLASE B user 2 3 # 2 B 17 ASP A 210 ASP^? 16.17 O3 SO4 A 243 B 96 GLU A 117 GLU~? 25.40 O3 SO4 A 243 B 132 LYS A 113 LYS~? 30.41 O3 SO4 A 243 coo 31.16 57.31 -0.94 30.73 56.64 1.01 15.65 9.10 1.05 17.66 9.20 0.39 coo 26.69 48.45 7.18 27.85 50.13 7.74 27.34 13.07 -4.01 26.27 14.77 -4.79 coo 29.82 45.80 5.07 30.26 51.81 3.56 26.35 9.86 -8.18 28.43 13.70 -12.96 ULMN 3 1onr_c01 TRANSALDOLASE B user 3 3 # 3 B 17 ASP B 162 ASP.? 11.47 O3 SO4 B 243 B 96 GLU B 144 GLU^? 5.26 O1 SO4 B 243 B 132 LYS B 131 LYS^? 17.11 O1 SO4 B 243 coo 31.16 57.31 -0.94 30.73 56.64 1.01 -2.91 38.69 12.19 -3.85 37.85 10.43 coo 26.69 48.45 7.18 27.85 50.13 7.74 -2.94 24.68 12.26 -2.09 26.04 13.69 coo 29.82 45.80 5.07 30.26 51.81 3.56 -7.93 28.07 10.94 -13.10 25.67 8.39 ULMN 3 1onr_c01 TRANSALDOLASE B user 4 3 # 4 B 17 ASP B 210 ASP^? 16.02 O1 SO4 B 243 B 96 GLU B 117 GLU~? 24.79 O1 SO4 B 243 B 132 LYS B 113 LYS~? 30.21 O1 SO4 B 243 coo 31.16 57.31 -0.94 30.73 56.64 1.01 -3.61 13.59 12.62 -5.22 13.58 13.96 coo 26.69 48.45 7.18 27.85 50.13 7.74 -13.76 9.47 20.61 -15.59 10.28 21.49 coo 29.82 45.80 5.07 30.26 51.81 3.56 -16.92 12.76 17.51 -22.08 8.80 17.21 1onr_c01 source 1onr TRANSALDOLASE B : 4 hits 1onr_c01 naa= 3 ULMN 3 1oyg_c00 LEVANSUCRASE user 1 3 # 1 A 86 ASP A 157 ASP~? 15.53 O1 SO4 A 243 A 247 ASP A 107 ASP^? 18.51 O1 SO4 A 243 A 342 GLU A 129 GLU^? 16.53 O1 SO4 A 243 coo 44.36 35.68 9.71 43.29 36.20 11.51 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo 41.40 28.81 12.91 40.82 30.90 12.97 23.22 -6.70 -8.91 22.86 -8.00 -10.43 coo 40.37 33.11 18.06 39.99 34.93 17.06 20.62 -2.18 -6.03 20.44 -1.20 -7.86 ULMN 3 1oyg_c00 LEVANSUCRASE user 2 3 # 2 A 86 ASP B 157 ASP~? 15.61 O3 SO4 B 243 A 247 ASP B 107 ASP^? 18.02 O3 SO4 B 243 A 342 GLU B 129 GLU^? 16.54 O1 SO4 B 243 coo 44.36 35.68 9.71 43.29 36.20 11.51 -12.32 32.41 21.01 -13.75 33.02 22.44 coo 41.40 28.81 12.91 40.82 30.90 12.97 -16.27 29.29 14.31 -16.58 30.52 12.63 coo 40.37 33.11 18.06 39.99 34.93 17.06 -12.39 24.89 13.45 -13.91 23.80 12.41 1oyg_c00 source 1oyg LEVANSUCRASE : 2 hits 1oyg_c00 naa= 3 ULMN 3 1p1x_c00 DEOXYRIBOSE-PHOSPHATE ALDOLASE user 1 3 # 1 A 102 ASP A 168 ASP~? 7.04 O4 SO4 A 243 A 167 LYS A 171 LYS~? 11.57 O4 SO4 A 243 A 201 LYS A 175 LYS~? 15.75 O4 SO4 A 243 coo 26.53 8.31 20.37 28.45 8.41 19.40 22.19 -10.44 12.27 20.99 -10.59 13.96 coo 24.92 6.08 13.38 27.75 4.33 18.83 27.37 -6.86 13.66 24.72 -6.49 19.13 coo 29.08 5.53 11.69 30.46 5.61 17.93 31.71 -5.61 14.13 32.23 -10.41 15.70 ULMN 3 1p1x_c00 DEOXYRIBOSE-PHOSPHATE ALDOLASE user 2 3 # 2 A 102 ASP B 168 ASP~? 6.50 O2 SO4 B 243 A 167 LYS B 171 LYS~? 11.43 O2 SO4 B 243 A 201 LYS B 175 LYS~? 16.29 O2 SO4 B 243 coo 26.53 8.31 20.37 28.45 8.41 19.40 3.03 33.25 23.92 5.06 33.14 23.36 coo 24.92 6.08 13.38 27.75 4.33 18.83 1.64 29.57 28.97 7.88 29.77 29.01 coo 29.08 5.53 11.69 30.46 5.61 17.93 -0.06 28.25 32.86 0.77 33.04 34.82 1p1x_c00 source 1p1x DEOXYRIBOSE-PHOSPHATE ALDOLASE : 2 hits 1p1x_c00 naa= 3 ULMN 3 1p1x_c01 DEOXYRIBOSE-PHOSPHATE ALDOLASE user 1 3 # 1 B1102 ASP A 168 ASP~? 7.04 O4 SO4 A 243 B1167 LYS A 171 LYS~? 11.57 O4 SO4 A 243 B1201 LYS A 175 LYS~? 15.75 O4 SO4 A 243 coo 26.10 12.11 49.61 24.19 12.48 50.51 22.19 -10.44 12.27 20.99 -10.59 13.96 coo 27.70 11.69 56.92 24.82 8.55 52.12 27.37 -6.86 13.66 24.72 -6.49 19.13 coo 23.50 11.64 58.67 22.19 10.19 52.59 31.71 -5.61 14.13 32.23 -10.41 15.70 ULMN 3 1p1x_c01 DEOXYRIBOSE-PHOSPHATE ALDOLASE user 2 3 # 2 B1102 ASP B 168 ASP~? 6.50 O2 SO4 B 243 B1167 LYS B 171 LYS~? 11.43 O2 SO4 B 243 B1201 LYS B 175 LYS~? 16.29 O2 SO4 B 243 coo 26.10 12.11 49.61 24.19 12.48 50.51 3.03 33.25 23.92 5.06 33.14 23.36 coo 27.70 11.69 56.92 24.82 8.55 52.12 1.64 29.57 28.97 7.88 29.77 29.01 coo 23.50 11.64 58.67 22.19 10.19 52.59 -0.06 28.25 32.86 0.77 33.04 34.82 1p1x_c01 source 1p1x DEOXYRIBOSE-PHOSPHATE ALDOLASE : 2 hits 1p1x_c01 naa= 3 ULMN 3 1pfq_c00 DIPEPTIDYL PEPTIDASE IV SOLUBLE FORMuser 1 3 # 1 A 630 SER A 105 SER^? 14.75 O1 SO4 A 243 A 708 ASP A 157 ASP~? 15.53 O1 SO4 A 243 A 740 HIS A 106 HIS^? 13.08 O1 SO4 A 243 coo -7.09 7.44 6.22 -7.53 5.14 5.59 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo -5.35 2.36 14.19 -6.28 2.60 12.26 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo -8.70 2.86 9.96 -8.03 3.92 8.29 22.50 -10.50 -3.88 23.13 -12.51 -3.91 ULMN 3 1pfq_c00 DIPEPTIDYL PEPTIDASE IV SOLUBLE FORMuser 2 3 # 2 A 630 SER B 105 SER^? 14.66 O3 SO4 B 243 A 708 ASP B 157 ASP~? 15.61 O3 SO4 B 243 A 740 HIS B 106 HIS^? 13.01 O3 SO4 B 243 coo -7.09 7.44 6.22 -7.53 5.14 5.59 -11.13 32.24 11.11 -11.87 30.19 10.06 coo -5.35 2.36 14.19 -6.28 2.60 12.26 -12.32 32.41 21.01 -13.75 33.02 22.44 coo -8.70 2.86 9.96 -8.03 3.92 8.29 -11.40 33.04 16.07 -11.74 35.05 16.56 1pfq_c00 source 1pfq DIPEPTIDYL PEPTIDASE IV SOLUBLE FORM : 2 hits 1pfq_c00 naa= 3 ULMN 3 1pfq_c01 DIPEPTIDYL PEPTIDASE IV SOLUBLE FORMuser 1 3 # 1 B 630 SER A 105 SER^? 14.75 O1 SO4 A 243 B 708 ASP A 157 ASP~? 15.53 O1 SO4 A 243 B 740 HIS A 106 HIS^? 13.08 O1 SO4 A 243 coo 4.44 13.29 37.64 6.01 11.66 38.49 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo 6.39 7.18 30.33 6.92 8.20 32.17 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo 8.57 10.09 34.47 7.10 10.73 35.82 22.50 -10.50 -3.88 23.13 -12.51 -3.91 ULMN 3 1pfq_c01 DIPEPTIDYL PEPTIDASE IV SOLUBLE FORMuser 2 3 # 2 B 630 SER B 105 SER^? 14.66 O3 SO4 B 243 B 708 ASP B 157 ASP~? 15.61 O3 SO4 B 243 B 740 HIS B 106 HIS^? 13.01 O3 SO4 B 243 coo 4.44 13.29 37.64 6.01 11.66 38.49 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 6.39 7.18 30.33 6.92 8.20 32.17 -12.32 32.41 21.01 -13.75 33.02 22.44 coo 8.57 10.09 34.47 7.10 10.73 35.82 -11.40 33.04 16.07 -11.74 35.05 16.56 1pfq_c01 source 1pfq DIPEPTIDYL PEPTIDASE IV SOLUBLE FORM : 2 hits 1pfq_c01 naa= 3 ULMN 3 1pfq_c02 DIPEPTIDYL PEPTIDASE IV SOLUBLE FORMuser 1 3 # 1 A 630 SER A 224 SER^? 7.40 O3 SO4 A 243 A 709 ASP A 107 ASP^? 18.51 O1 SO4 A 243 A 740 HIS A 147 HIS^? 14.45 O3 SO4 A 243 coo -7.09 7.44 6.22 -7.53 5.14 5.59 18.13 2.56 1.79 18.41 0.79 3.71 coo -6.04 -3.54 13.59 -7.99 -3.21 12.73 23.22 -6.70 -8.91 22.86 -8.00 -10.43 coo -8.70 2.86 9.96 -8.03 3.92 8.29 22.73 1.14 -3.20 21.31 1.29 -4.76 ULMN 3 1pfq_c02 DIPEPTIDYL PEPTIDASE IV SOLUBLE FORMuser 2 3 # 2 A 630 SER B 224 SER^? 7.35 O1 SO4 B 243 A 709 ASP B 107 ASP^? 18.02 O3 SO4 B 243 A 740 HIS B 147 HIS^? 14.18 O1 SO4 B 243 coo -7.09 7.44 6.22 -7.53 5.14 5.59 -4.24 20.16 15.05 -2.83 21.89 16.14 coo -6.04 -3.54 13.59 -7.99 -3.21 12.73 -16.27 29.29 14.31 -16.58 30.52 12.63 coo -8.70 2.86 9.96 -8.03 3.92 8.29 -10.85 21.55 16.70 -11.51 21.37 14.71 ULMN 3 1pfq_c02 DIPEPTIDYL PEPTIDASE IV SOLUBLE FORMuser 3 3 # 3 A 630 SER B 239 SER.? 13.78 O3 SO4 A 243 A 709 ASP A 218 ASP~? 20.27 O4 SO4 A 243 A 740 HIS A 180 HIS^? 16.73 O4 SO4 A 243 coo -7.09 7.44 6.22 -7.53 5.14 5.59 16.84 9.01 14.32 16.23 6.75 15.02 coo -6.04 -3.54 13.59 -7.99 -3.21 12.73 29.47 11.44 11.56 27.66 12.20 10.67 coo -8.70 2.86 9.96 -8.03 3.92 8.29 23.63 8.86 13.89 25.45 9.53 13.13 1pfq_c02 source 1pfq DIPEPTIDYL PEPTIDASE IV SOLUBLE FORM : 3 hits 1pfq_c02 naa= 3 ULMN 3 1pfq_c03 DIPEPTIDYL PEPTIDASE IV SOLUBLE FORMuser 1 3 # 1 B 630 SER A 224 SER^? 7.40 O3 SO4 A 243 B 709 ASP A 107 ASP^? 18.51 O1 SO4 A 243 B 740 HIS A 147 HIS^? 14.45 O3 SO4 A 243 coo 4.44 13.29 37.64 6.01 11.66 38.49 18.13 2.56 1.79 18.41 0.79 3.71 coo 10.26 2.81 31.69 11.64 4.30 32.43 23.22 -6.70 -8.91 22.86 -8.00 -10.43 coo 8.57 10.09 34.47 7.10 10.73 35.82 22.73 1.14 -3.20 21.31 1.29 -4.76 ULMN 3 1pfq_c03 DIPEPTIDYL PEPTIDASE IV SOLUBLE FORMuser 2 3 # 2 B 630 SER B 224 SER^? 7.35 O1 SO4 B 243 B 709 ASP B 107 ASP^? 18.02 O3 SO4 B 243 B 740 HIS B 147 HIS^? 14.18 O1 SO4 B 243 coo 4.44 13.29 37.64 6.01 11.66 38.49 -4.24 20.16 15.05 -2.83 21.89 16.14 coo 10.26 2.81 31.69 11.64 4.30 32.43 -16.27 29.29 14.31 -16.58 30.52 12.63 coo 8.57 10.09 34.47 7.10 10.73 35.82 -10.85 21.55 16.70 -11.51 21.37 14.71 ULMN 3 1pfq_c03 DIPEPTIDYL PEPTIDASE IV SOLUBLE FORMuser 3 3 # 3 B 630 SER B 239 SER.? 13.78 O3 SO4 A 243 B 709 ASP A 218 ASP~? 20.27 O4 SO4 A 243 B 740 HIS A 180 HIS^? 16.73 O4 SO4 A 243 coo 4.44 13.29 37.64 6.01 11.66 38.49 16.84 9.01 14.32 16.23 6.75 15.02 coo 10.26 2.81 31.69 11.64 4.30 32.43 29.47 11.44 11.56 27.66 12.20 10.67 coo 8.57 10.09 34.47 7.10 10.73 35.82 23.63 8.86 13.89 25.45 9.53 13.13 1pfq_c03 source 1pfq DIPEPTIDYL PEPTIDASE IV SOLUBLE FORM : 3 hits 1pfq_c03 naa= 3 ULMN 3 1pj5_c00 N,N-DIMETHYLGLYCINE OXIDASE user 1 3 # 1 A 225 HIS A 101 HIS.? 5.49 O3 SO4 A 243 A 259 TYR A 135 TYR^? 15.11 O3 SO4 A 243 A 552 ASP B 199 ASP~? 23.68 O1 SO4 B 243 coo 11.34 95.90 25.54 12.13 96.42 23.67 12.44 -8.38 4.91 13.10 -6.40 5.14 coo 14.91 97.39 18.63 13.39 95.60 20.20 4.91 -9.76 0.70 5.77 -10.05 -1.99 coo 46.37 82.54 38.83 45.97 84.66 38.77 -3.04 28.39 -4.12 -2.88 29.28 -6.05 ULMN 3 1pj5_c00 N,N-DIMETHYLGLYCINE OXIDASE user 2 3 # 2 A 225 HIS A 102 HIS^? 13.43 O1 SO4 A 243 A 259 TYR A 197 TYR~? 17.30 O1 SO4 A 243 A 552 ASP B 218 ASP~? 20.31 O1 SO4 B 243 coo 11.34 95.90 25.54 12.13 96.42 23.67 10.89 -12.56 -1.72 11.39 -13.56 -3.50 coo 14.91 97.39 18.63 13.39 95.60 20.20 9.27 -5.67 -7.32 11.22 -6.86 -8.96 coo 46.37 82.54 38.83 45.97 84.66 38.77 -1.00 11.19 29.58 -0.84 10.48 27.56 ULMN 3 1pj5_c00 N,N-DIMETHYLGLYCINE OXIDASE user 3 3 # 3 A 225 HIS A 147 HIS^? 14.45 O3 SO4 A 243 A 259 TYR A 148 TYR^? 8.27 O1 SO4 A 243 A 552 ASP B 218 ASP~? 20.31 O1 SO4 B 243 coo 11.34 95.90 25.54 12.13 96.42 23.67 22.73 1.14 -3.20 21.31 1.29 -4.76 coo 14.91 97.39 18.63 13.39 95.60 20.20 25.02 -3.19 2.22 22.65 -3.79 3.58 coo 46.37 82.54 38.83 45.97 84.66 38.77 -1.00 11.19 29.58 -0.84 10.48 27.56 ULMN 3 1pj5_c00 N,N-DIMETHYLGLYCINE OXIDASE user 4 3 # 4 A 225 HIS A 147 HIS^? 14.45 O3 SO4 A 243 A 259 TYR A 222 TYR^? 7.75 O4 SO4 A 243 A 552 ASP B 138 ASP.? 20.16 O4 SO4 B 243 coo 11.34 95.90 25.54 12.13 96.42 23.67 22.73 1.14 -3.20 21.31 1.29 -4.76 coo 14.91 97.39 18.63 13.39 95.60 20.20 23.05 0.50 5.53 21.22 0.35 7.67 coo 46.37 82.54 38.83 45.97 84.66 38.77 3.17 35.06 -2.07 1.06 35.64 -2.11 ULMN 3 1pj5_c00 N,N-DIMETHYLGLYCINE OXIDASE user 5 3 # 5 A 225 HIS B 101 HIS.? 5.53 O4 SO4 B 243 A 259 TYR B 135 TYR^? 15.04 O4 SO4 B 243 A 552 ASP A 199 ASP~? 23.37 O3 SO4 A 243 coo 11.34 95.90 25.54 12.13 96.42 23.67 1.10 31.39 11.62 1.04 29.37 12.19 coo 14.91 97.39 18.63 13.39 95.60 20.20 1.17 32.43 2.94 -1.52 32.86 2.35 coo 46.37 82.54 38.83 45.97 84.66 38.77 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 ULMN 3 1pj5_c00 N,N-DIMETHYLGLYCINE OXIDASE user 6 3 # 6 A 225 HIS B 102 HIS^? 13.40 O3 SO4 B 243 A 259 TYR B 197 TYR~? 17.25 O3 SO4 B 243 A 552 ASP A 218 ASP~? 20.27 O4 SO4 A 243 coo 11.34 95.90 25.54 12.13 96.42 23.67 -4.13 35.26 6.99 -5.90 36.34 6.69 coo 14.91 97.39 18.63 13.39 95.60 20.20 -8.04 28.46 2.86 -10.26 29.82 3.98 coo 46.37 82.54 38.83 45.97 84.66 38.77 29.47 11.44 11.56 27.66 12.20 10.67 ULMN 3 1pj5_c00 N,N-DIMETHYLGLYCINE OXIDASE user 7 3 # 7 A 225 HIS B 147 HIS^? 14.18 O1 SO4 B 243 A 259 TYR B 222 TYR^? 7.39 O1 SO4 B 243 A 552 ASP A 138 ASP.? 20.83 O2 SO4 A 243 coo 11.34 95.90 25.54 12.13 96.42 23.67 -10.85 21.55 16.70 -11.51 21.37 14.71 coo 14.91 97.39 18.63 13.39 95.60 20.20 -3.31 22.23 21.14 -0.55 22.44 20.59 coo 46.37 82.54 38.83 45.97 84.66 38.77 -1.07 -12.13 0.13 -1.24 -14.06 1.00 ULMN 3 1pj5_c00 N,N-DIMETHYLGLYCINE OXIDASE user 8 3 # 8 A 225 HIS B 167 HIS~? -3.98 O2 SO4 B 243s A 259 TYR B 222 TYR^? 7.39 O1 SO4 B 243 A 552 ASP A 201 ASP.? 28.67 O3 SO4 A 243 coo 11.34 95.90 25.54 12.13 96.42 23.67 2.71 26.62 21.63 2.19 24.83 20.66 coo 14.91 97.39 18.63 13.39 95.60 20.20 -3.31 22.23 21.14 -0.55 22.44 20.59 coo 46.37 82.54 38.83 45.97 84.66 38.77 -1.72 1.66 -11.39 -3.36 0.47 -11.68 1pj5_c00 source 1pj5 N,N-DIMETHYLGLYCINE OXIDASE : 8 hits 1pj5_c00 naa= 3 ULMN 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 1 3 # 1 A 70 ALA A 190 ALA.? 22.76 O3 SO4 A 243 A 126 LEU A 206 LEU^? 19.48 O3 SO4 A 243 A 158 GLU A 208 GLU^? 18.11 O3 SO4 A 243 coo -2.29 37.66 144.73 -1.46 37.12 145.87 5.58 4.36 -9.42 4.38 3.38 -9.16 coo -4.62 32.83 147.14 -5.50 32.85 149.12 5.36 5.28 -3.85 5.05 3.55 -5.18 coo -0.83 29.57 149.77 -0.39 31.47 148.95 11.78 7.44 -1.74 12.80 8.58 -3.28 ULMN 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 2 3 # 2 A 70 ALA A 190 ALA.? 22.76 O3 SO4 A 243 A 126 LEU A 227 LEU^? 15.77 O3 SO4 A 243 A 158 GLU A 208 GLU^? 18.11 O3 SO4 A 243 coo -2.29 37.66 144.73 -1.46 37.12 145.87 5.58 4.36 -9.42 4.38 3.38 -9.16 coo -4.62 32.83 147.14 -5.50 32.85 149.12 8.91 2.46 -2.71 9.94 3.74 -4.02 coo -0.83 29.57 149.77 -0.39 31.47 148.95 11.78 7.44 -1.74 12.80 8.58 -3.28 ULMN 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 3 3 # 3 A 70 ALA A 205 ALA^? 24.68 O3 SO4 A 243 A 126 LEU A 206 LEU^? 19.48 O3 SO4 A 243 A 158 GLU A 194 GLU~? 19.96 O3 SO4 A 243 coo -2.29 37.66 144.73 -1.46 37.12 145.87 1.77 7.85 -5.50 0.81 8.85 -4.71 coo -4.62 32.83 147.14 -5.50 32.85 149.12 5.36 5.28 -3.85 5.05 3.55 -5.18 coo -0.83 29.57 149.77 -0.39 31.47 148.95 8.83 1.58 -7.66 9.92 2.44 -9.22 ULMN 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 4 3 # 4 A 70 ALA A 205 ALA^? 24.68 O3 SO4 A 243 A 126 LEU A 206 LEU^? 19.48 O3 SO4 A 243 A 158 GLU A 208 GLU^? 18.11 O3 SO4 A 243 coo -2.29 37.66 144.73 -1.46 37.12 145.87 1.77 7.85 -5.50 0.81 8.85 -4.71 coo -4.62 32.83 147.14 -5.50 32.85 149.12 5.36 5.28 -3.85 5.05 3.55 -5.18 coo -0.83 29.57 149.77 -0.39 31.47 148.95 11.78 7.44 -1.74 12.80 8.58 -3.28 ULMN 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 5 3 # 5 A 70 ALA B 190 ALA.? 22.71 O1 SO4 B 243 A 126 LEU B 206 LEU^? 19.76 O1 SO4 B 243 A 158 GLU B 208 GLU^? 18.08 O1 SO4 B 243 coo -2.29 37.66 144.73 -1.46 37.12 145.87 -8.03 18.28 -1.32 -7.18 19.41 -2.08 coo -4.62 32.83 147.14 -5.50 32.85 149.12 -3.03 17.42 1.15 -4.10 19.03 0.13 coo -0.83 29.57 149.77 -0.39 31.47 148.95 -4.22 15.23 7.76 -6.03 14.17 7.93 ULMN 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 6 3 # 6 A 70 ALA B 190 ALA.? 22.71 O1 SO4 B 243 A 126 LEU B 227 LEU^? 15.94 O1 SO4 B 243 A 158 GLU B 208 GLU^? 18.08 O1 SO4 B 243 coo -2.29 37.66 144.73 -1.46 37.12 145.87 -8.03 18.28 -1.32 -7.18 19.41 -2.08 coo -4.62 32.83 147.14 -5.50 32.85 149.12 -3.72 20.23 4.84 -5.36 18.88 5.00 coo -0.83 29.57 149.77 -0.39 31.47 148.95 -4.22 15.23 7.76 -6.03 14.17 7.93 ULMN 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 7 3 # 7 A 70 ALA B 205 ALA^? 25.02 O1 SO4 B 243 A 126 LEU B 206 LEU^? 19.76 O1 SO4 B 243 A 158 GLU B 194 GLU~? 20.15 O1 SO4 B 243 coo -2.29 37.66 144.73 -1.46 37.12 145.87 -2.77 14.78 -2.82 -1.68 13.76 -3.29 coo -4.62 32.83 147.14 -5.50 32.85 149.12 -3.03 17.42 1.15 -4.10 19.03 0.13 coo -0.83 29.57 149.77 -0.39 31.47 148.95 -8.16 20.98 2.40 -10.14 20.22 2.52 ULMN 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 8 3 # 8 A 70 ALA B 205 ALA^? 25.02 O1 SO4 B 243 A 126 LEU B 206 LEU^? 19.76 O1 SO4 B 243 A 158 GLU B 208 GLU^? 18.08 O1 SO4 B 243 coo -2.29 37.66 144.73 -1.46 37.12 145.87 -2.77 14.78 -2.82 -1.68 13.76 -3.29 coo -4.62 32.83 147.14 -5.50 32.85 149.12 -3.03 17.42 1.15 -4.10 19.03 0.13 coo -0.83 29.57 149.77 -0.39 31.47 148.95 -4.22 15.23 7.76 -6.03 14.17 7.93 1pjh_c00 source 1pjh ENOYL-COA ISOMERASE; ECI1P : 8 hits 1pjh_c00 naa= 3 ULMN 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 1 3 # 1 B 70 ALA A 190 ALA.? 22.76 O3 SO4 A 243 B 126 LEU A 206 LEU^? 19.48 O3 SO4 A 243 B 158 GLU A 208 GLU^? 18.11 O3 SO4 A 243 coo -39.79 4.61 147.27 -39.61 5.56 148.47 5.58 4.36 -9.42 4.38 3.38 -9.16 coo -34.22 5.06 149.25 -33.65 4.24 151.15 5.36 5.28 -3.85 5.05 3.55 -5.18 coo -33.03 9.93 151.71 -34.98 9.38 151.11 11.78 7.44 -1.74 12.80 8.58 -3.28 ULMN 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 2 3 # 2 B 70 ALA A 190 ALA.? 22.76 O3 SO4 A 243 B 126 LEU A 227 LEU^? 15.77 O3 SO4 A 243 B 158 GLU A 208 GLU^? 18.11 O3 SO4 A 243 coo -39.79 4.61 147.27 -39.61 5.56 148.47 5.58 4.36 -9.42 4.38 3.38 -9.16 coo -34.22 5.06 149.25 -33.65 4.24 151.15 8.91 2.46 -2.71 9.94 3.74 -4.02 coo -33.03 9.93 151.71 -34.98 9.38 151.11 11.78 7.44 -1.74 12.80 8.58 -3.28 ULMN 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 3 3 # 3 B 70 ALA A 205 ALA^? 24.68 O3 SO4 A 243 B 126 LEU A 206 LEU^? 19.48 O3 SO4 A 243 B 158 GLU A 194 GLU~? 19.96 O3 SO4 A 243 coo -39.79 4.61 147.27 -39.61 5.56 148.47 1.77 7.85 -5.50 0.81 8.85 -4.71 coo -34.22 5.06 149.25 -33.65 4.24 151.15 5.36 5.28 -3.85 5.05 3.55 -5.18 coo -33.03 9.93 151.71 -34.98 9.38 151.11 8.83 1.58 -7.66 9.92 2.44 -9.22 ULMN 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 4 3 # 4 B 70 ALA A 205 ALA^? 24.68 O3 SO4 A 243 B 126 LEU A 206 LEU^? 19.48 O3 SO4 A 243 B 158 GLU A 208 GLU^? 18.11 O3 SO4 A 243 coo -39.79 4.61 147.27 -39.61 5.56 148.47 1.77 7.85 -5.50 0.81 8.85 -4.71 coo -34.22 5.06 149.25 -33.65 4.24 151.15 5.36 5.28 -3.85 5.05 3.55 -5.18 coo -33.03 9.93 151.71 -34.98 9.38 151.11 11.78 7.44 -1.74 12.80 8.58 -3.28 ULMN 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 5 3 # 5 B 70 ALA B 190 ALA.? 22.71 O1 SO4 B 243 B 126 LEU B 206 LEU^? 19.76 O1 SO4 B 243 B 158 GLU B 208 GLU^? 18.08 O1 SO4 B 243 coo -39.79 4.61 147.27 -39.61 5.56 148.47 -8.03 18.28 -1.32 -7.18 19.41 -2.08 coo -34.22 5.06 149.25 -33.65 4.24 151.15 -3.03 17.42 1.15 -4.10 19.03 0.13 coo -33.03 9.93 151.71 -34.98 9.38 151.11 -4.22 15.23 7.76 -6.03 14.17 7.93 ULMN 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 6 3 # 6 B 70 ALA B 190 ALA.? 22.71 O1 SO4 B 243 B 126 LEU B 227 LEU^? 15.94 O1 SO4 B 243 B 158 GLU B 208 GLU^? 18.08 O1 SO4 B 243 coo -39.79 4.61 147.27 -39.61 5.56 148.47 -8.03 18.28 -1.32 -7.18 19.41 -2.08 coo -34.22 5.06 149.25 -33.65 4.24 151.15 -3.72 20.23 4.84 -5.36 18.88 5.00 coo -33.03 9.93 151.71 -34.98 9.38 151.11 -4.22 15.23 7.76 -6.03 14.17 7.93 ULMN 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 7 3 # 7 B 70 ALA B 205 ALA^? 25.02 O1 SO4 B 243 B 126 LEU B 206 LEU^? 19.76 O1 SO4 B 243 B 158 GLU B 194 GLU~? 20.15 O1 SO4 B 243 coo -39.79 4.61 147.27 -39.61 5.56 148.47 -2.77 14.78 -2.82 -1.68 13.76 -3.29 coo -34.22 5.06 149.25 -33.65 4.24 151.15 -3.03 17.42 1.15 -4.10 19.03 0.13 coo -33.03 9.93 151.71 -34.98 9.38 151.11 -8.16 20.98 2.40 -10.14 20.22 2.52 ULMN 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 8 3 # 8 B 70 ALA B 205 ALA^? 25.02 O1 SO4 B 243 B 126 LEU B 206 LEU^? 19.76 O1 SO4 B 243 B 158 GLU B 208 GLU^? 18.08 O1 SO4 B 243 coo -39.79 4.61 147.27 -39.61 5.56 148.47 -2.77 14.78 -2.82 -1.68 13.76 -3.29 coo -34.22 5.06 149.25 -33.65 4.24 151.15 -3.03 17.42 1.15 -4.10 19.03 0.13 coo -33.03 9.93 151.71 -34.98 9.38 151.11 -4.22 15.23 7.76 -6.03 14.17 7.93 1pjh_c01 source 1pjh ENOYL-COA ISOMERASE; ECI1P : 8 hits 1pjh_c01 naa= 3 ULMN 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 1 3 # 1 C 70 ALA A 190 ALA.? 22.76 O3 SO4 A 243 C 126 LEU A 206 LEU^? 19.48 O3 SO4 A 243 C 158 GLU A 208 GLU^? 18.11 O3 SO4 A 243 coo 7.77 -11.41 146.15 6.88 -11.77 147.32 5.58 4.36 -9.42 4.38 3.38 -9.16 coo 4.88 -6.81 148.13 5.33 -5.89 150.06 5.36 5.28 -3.85 5.05 3.55 -5.18 coo 0.03 -8.25 150.96 1.55 -9.64 150.41 11.78 7.44 -1.74 12.80 8.58 -3.28 ULMN 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 2 3 # 2 C 70 ALA A 190 ALA.? 22.76 O3 SO4 A 243 C 126 LEU A 227 LEU^? 15.77 O3 SO4 A 243 C 158 GLU A 208 GLU^? 18.11 O3 SO4 A 243 coo 7.77 -11.41 146.15 6.88 -11.77 147.32 5.58 4.36 -9.42 4.38 3.38 -9.16 coo 4.88 -6.81 148.13 5.33 -5.89 150.06 8.91 2.46 -2.71 9.94 3.74 -4.02 coo 0.03 -8.25 150.96 1.55 -9.64 150.41 11.78 7.44 -1.74 12.80 8.58 -3.28 ULMN 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 3 3 # 3 C 70 ALA A 205 ALA^? 24.68 O3 SO4 A 243 C 126 LEU A 206 LEU^? 19.48 O3 SO4 A 243 C 158 GLU A 194 GLU~? 19.96 O3 SO4 A 243 coo 7.77 -11.41 146.15 6.88 -11.77 147.32 1.77 7.85 -5.50 0.81 8.85 -4.71 coo 4.88 -6.81 148.13 5.33 -5.89 150.06 5.36 5.28 -3.85 5.05 3.55 -5.18 coo 0.03 -8.25 150.96 1.55 -9.64 150.41 8.83 1.58 -7.66 9.92 2.44 -9.22 ULMN 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 4 3 # 4 C 70 ALA A 205 ALA^? 24.68 O3 SO4 A 243 C 126 LEU A 206 LEU^? 19.48 O3 SO4 A 243 C 158 GLU A 208 GLU^? 18.11 O3 SO4 A 243 coo 7.77 -11.41 146.15 6.88 -11.77 147.32 1.77 7.85 -5.50 0.81 8.85 -4.71 coo 4.88 -6.81 148.13 5.33 -5.89 150.06 5.36 5.28 -3.85 5.05 3.55 -5.18 coo 0.03 -8.25 150.96 1.55 -9.64 150.41 11.78 7.44 -1.74 12.80 8.58 -3.28 ULMN 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 5 3 # 5 C 70 ALA B 190 ALA.? 22.71 O1 SO4 B 243 C 126 LEU B 206 LEU^? 19.76 O1 SO4 B 243 C 158 GLU B 208 GLU^? 18.08 O1 SO4 B 243 coo 7.77 -11.41 146.15 6.88 -11.77 147.32 -8.03 18.28 -1.32 -7.18 19.41 -2.08 coo 4.88 -6.81 148.13 5.33 -5.89 150.06 -3.03 17.42 1.15 -4.10 19.03 0.13 coo 0.03 -8.25 150.96 1.55 -9.64 150.41 -4.22 15.23 7.76 -6.03 14.17 7.93 ULMN 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 6 3 # 6 C 70 ALA B 190 ALA.? 22.71 O1 SO4 B 243 C 126 LEU B 227 LEU^? 15.94 O1 SO4 B 243 C 158 GLU B 208 GLU^? 18.08 O1 SO4 B 243 coo 7.77 -11.41 146.15 6.88 -11.77 147.32 -8.03 18.28 -1.32 -7.18 19.41 -2.08 coo 4.88 -6.81 148.13 5.33 -5.89 150.06 -3.72 20.23 4.84 -5.36 18.88 5.00 coo 0.03 -8.25 150.96 1.55 -9.64 150.41 -4.22 15.23 7.76 -6.03 14.17 7.93 ULMN 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 7 3 # 7 C 70 ALA B 205 ALA^? 25.02 O1 SO4 B 243 C 126 LEU B 206 LEU^? 19.76 O1 SO4 B 243 C 158 GLU B 194 GLU~? 20.15 O1 SO4 B 243 coo 7.77 -11.41 146.15 6.88 -11.77 147.32 -2.77 14.78 -2.82 -1.68 13.76 -3.29 coo 4.88 -6.81 148.13 5.33 -5.89 150.06 -3.03 17.42 1.15 -4.10 19.03 0.13 coo 0.03 -8.25 150.96 1.55 -9.64 150.41 -8.16 20.98 2.40 -10.14 20.22 2.52 ULMN 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 8 3 # 8 C 70 ALA B 205 ALA^? 25.02 O1 SO4 B 243 C 126 LEU B 206 LEU^? 19.76 O1 SO4 B 243 C 158 GLU B 208 GLU^? 18.08 O1 SO4 B 243 coo 7.77 -11.41 146.15 6.88 -11.77 147.32 -2.77 14.78 -2.82 -1.68 13.76 -3.29 coo 4.88 -6.81 148.13 5.33 -5.89 150.06 -3.03 17.42 1.15 -4.10 19.03 0.13 coo 0.03 -8.25 150.96 1.55 -9.64 150.41 -4.22 15.23 7.76 -6.03 14.17 7.93 1pjh_c02 source 1pjh ENOYL-COA ISOMERASE; ECI1P : 8 hits 1pjh_c02 naa= 3 ULMN 3 1pjq_c03 SIROHEME SYNTHASE user 1 3 # 1 B 248 ASP A 210 ASP^? 16.17 O3 SO4 A 243 B 270 LYS A 183 LYS^? 12.80 O3 SO4 A 243 B 382 MET A 228 MET?? 13.31 O3 SO4 A 243 coo -11.82 154.51 43.38 -12.86 152.74 43.79 15.65 9.10 1.05 17.66 9.20 0.39 coo -5.09 158.39 43.41 -0.74 158.80 47.15 15.64 9.91 6.99 14.95 7.19 11.14 coo -2.79 145.52 50.38 -5.75 148.14 51.66 5.26 2.16 0.18 7.54 3.10 2.94 ULMN 3 1pjq_c03 SIROHEME SYNTHASE user 2 3 # 2 B 248 ASP B 210 ASP^? 16.02 O1 SO4 B 243 B 270 LYS B 183 LYS^? 10.90 O1 SO4 B 243 B 382 MET B 228 MET?? 13.65 O1 SO4 B 243 coo -11.82 154.51 43.38 -12.86 152.74 43.79 -3.61 13.59 12.62 -5.22 13.58 13.96 coo -5.09 158.39 43.41 -0.74 158.80 47.15 1.60 12.78 15.42 4.74 17.90 14.06 coo -2.79 145.52 50.38 -5.75 148.14 51.66 0.50 20.53 2.92 1.84 19.60 6.28 1pjq_c03 source 1pjq SIROHEME SYNTHASE : 2 hits 1pjq_c03 naa= 3 ULMN 3 1pp4_c02 RHAMNOGALACTURONAN ACETYLESTERASE user 1 3 # 1 A 74 ASN B 186 ASN^? 21.89 O1 SO4 B 243 A 192 ASP A 204 ASP.? 25.99 O3 SO4 A 243 A 195 HIS A 229 HIS^? 22.39 O3 SO4 A 243 coo -4.84 51.77 30.37 -3.89 50.12 29.46 -2.69 10.01 6.36 -2.94 8.50 7.82 coo 2.03 47.14 19.75 1.72 46.26 21.64 0.25 4.29 -7.71 -1.48 3.39 -8.50 coo 1.41 44.84 24.92 -0.49 45.70 25.19 -0.05 2.05 -3.08 -1.62 2.78 -4.27 1pp4_c02 source 1pp4 RHAMNOGALACTURONAN ACETYLESTERASE : 1 hits 1pp4_c02 naa= 3 ULMN 3 1pyl_c00 RIBONUCLEASE user 1 3 # 1 A 56 GLU A 129 GLU^? 16.53 O1 SO4 A 243 A 67 ARG A 132 ARG^? -2.74 O1 SO4 A 243s A 86 HIS A 106 HIS^? 13.08 O1 SO4 A 243 coo 18.15 3.28 18.56 20.10 2.92 19.20 20.62 -2.18 -6.03 20.44 -1.20 -7.86 coo 21.52 6.83 26.64 21.22 5.53 23.85 16.18 -7.91 2.07 16.78 -6.68 4.89 coo 22.36 -1.88 25.52 23.57 -0.73 24.25 22.50 -10.50 -3.88 23.13 -12.51 -3.91 ULMN 3 1pyl_c00 RIBONUCLEASE user 2 3 # 2 A 56 GLU B 129 GLU^? 16.54 O1 SO4 B 243 A 67 ARG B 132 ARG^? -2.94 O3 SO4 B 243s A 86 HIS B 106 HIS^? 13.01 O3 SO4 B 243 coo 18.15 3.28 18.56 20.10 2.92 19.20 -12.39 24.89 13.45 -13.91 23.80 12.41 coo 21.52 6.83 26.64 21.22 5.53 23.85 -3.03 30.55 13.28 -1.00 29.32 15.28 coo 22.36 -1.88 25.52 23.57 -0.73 24.25 -11.40 33.04 16.07 -11.74 35.05 16.56 1pyl_c00 source 1pyl RIBONUCLEASE : 2 hits 1pyl_c00 naa= 3 ULMN 3 1pyl_c01 RIBONUCLEASE user 1 3 # 1 B 56 GLU A 129 GLU^? 16.53 O1 SO4 A 243 B 67 ARG A 132 ARG^? -2.74 O1 SO4 A 243s B 86 HIS A 106 HIS^? 13.08 O1 SO4 A 243 coo 33.14 -5.53 11.32 32.45 -5.14 9.39 20.62 -2.18 -6.03 20.44 -1.20 -7.86 coo 31.86 -4.62 2.25 31.08 -4.78 5.21 16.18 -7.91 2.07 16.78 -6.68 4.89 coo 25.42 -9.42 7.20 25.63 -7.36 7.52 22.50 -10.50 -3.88 23.13 -12.51 -3.91 ULMN 3 1pyl_c01 RIBONUCLEASE user 2 3 # 2 B 56 GLU B 129 GLU^? 16.54 O1 SO4 B 243 B 67 ARG B 132 ARG^? -2.94 O3 SO4 B 243s B 86 HIS B 106 HIS^? 13.01 O3 SO4 B 243 coo 33.14 -5.53 11.32 32.45 -5.14 9.39 -12.39 24.89 13.45 -13.91 23.80 12.41 coo 31.86 -4.62 2.25 31.08 -4.78 5.21 -3.03 30.55 13.28 -1.00 29.32 15.28 coo 25.42 -9.42 7.20 25.63 -7.36 7.52 -11.40 33.04 16.07 -11.74 35.05 16.56 1pyl_c01 source 1pyl RIBONUCLEASE : 2 hits 1pyl_c01 naa= 3 ULMN 3 1pym_c00 PHOSPHOENOLPYRUVATE MUTASE user 1 3 # 1 A 48 LEU A 184 LEU^? 18.86 O3 SO4 A 243 A 58 ASP A 210 ASP^? 16.17 O3 SO4 A 243 A 120 LYS A 118 LYS~? 14.73 O3 SO4 A 243 coo 34.02 69.29 75.26 34.82 67.82 76.74 14.49 12.64 3.17 16.38 13.66 3.31 coo 34.46 72.45 78.57 32.82 72.75 77.28 15.65 9.10 1.05 17.66 9.20 0.39 coo 28.96 77.64 81.19 29.05 74.53 77.51 25.35 9.54 0.37 20.43 7.24 0.70 ULMN 3 1pym_c00 PHOSPHOENOLPYRUVATE MUTASE user 2 3 # 2 A 48 LEU A 225 LEU^? 14.26 O3 SO4 A 243 A 58 ASP A 210 ASP^? 16.17 O3 SO4 A 243 A 120 LYS A 118 LYS~? 14.73 O3 SO4 A 243 coo 34.02 69.29 75.26 34.82 67.82 76.74 15.30 4.05 -1.60 15.67 5.96 -2.55 coo 34.46 72.45 78.57 32.82 72.75 77.28 15.65 9.10 1.05 17.66 9.20 0.39 coo 28.96 77.64 81.19 29.05 74.53 77.51 25.35 9.54 0.37 20.43 7.24 0.70 ULMN 3 1pym_c00 PHOSPHOENOLPYRUVATE MUTASE user 3 3 # 3 A 48 LEU B 184 LEU^? 18.97 O1 SO4 B 243 A 58 ASP B 210 ASP^? 16.02 O1 SO4 B 243 A 120 LYS B 118 LYS~? 15.88 O1 SO4 B 243 coo 34.02 69.29 75.26 34.82 67.82 76.74 -1.23 10.13 12.55 -1.38 8.70 14.23 coo 34.46 72.45 78.57 32.82 72.75 77.28 -3.61 13.59 12.62 -5.22 13.58 13.96 coo 28.96 77.64 81.19 29.05 74.53 77.51 -8.85 13.11 20.72 -7.39 14.71 15.31 ULMN 3 1pym_c00 PHOSPHOENOLPYRUVATE MUTASE user 4 3 # 4 A 48 LEU B 225 LEU^? 14.24 O1 SO4 B 243 A 58 ASP B 210 ASP^? 16.02 O1 SO4 B 243 A 120 LYS B 118 LYS~? 15.88 O1 SO4 B 243 coo 34.02 69.29 75.26 34.82 67.82 76.74 -5.80 18.54 10.91 -6.95 16.76 10.96 coo 34.46 72.45 78.57 32.82 72.75 77.28 -3.61 13.59 12.62 -5.22 13.58 13.96 coo 28.96 77.64 81.19 29.05 74.53 77.51 -8.85 13.11 20.72 -7.39 14.71 15.31 1pym_c00 source 1pym PHOSPHOENOLPYRUVATE MUTASE : 4 hits 1pym_c00 naa= 3 ULMN 3 1pym_c01 PHOSPHOENOLPYRUVATE MUTASE user 1 3 # 1 B 48 LEU A 184 LEU^? 18.86 O3 SO4 A 243 B 58 ASP A 210 ASP^? 16.17 O3 SO4 A 243 B 120 LYS A 118 LYS~? 14.73 O3 SO4 A 243 coo 54.50 104.32 58.69 55.83 105.69 59.81 14.49 12.64 3.17 16.38 13.66 3.31 coo 57.63 101.19 59.83 56.60 100.89 57.99 15.65 9.10 1.05 17.66 9.20 0.39 coo 61.58 95.88 55.22 58.18 99.30 54.71 25.35 9.54 0.37 20.43 7.24 0.70 ULMN 3 1pym_c01 PHOSPHOENOLPYRUVATE MUTASE user 2 3 # 2 B 48 LEU A 225 LEU^? 14.26 O3 SO4 A 243 B 58 ASP A 210 ASP^? 16.17 O3 SO4 A 243 B 120 LYS A 118 LYS~? 14.73 O3 SO4 A 243 coo 54.50 104.32 58.69 55.83 105.69 59.81 15.30 4.05 -1.60 15.67 5.96 -2.55 coo 57.63 101.19 59.83 56.60 100.89 57.99 15.65 9.10 1.05 17.66 9.20 0.39 coo 61.58 95.88 55.22 58.18 99.30 54.71 25.35 9.54 0.37 20.43 7.24 0.70 ULMN 3 1pym_c01 PHOSPHOENOLPYRUVATE MUTASE user 3 3 # 3 B 48 LEU B 184 LEU^? 18.97 O1 SO4 B 243 B 58 ASP B 210 ASP^? 16.02 O1 SO4 B 243 B 120 LYS B 118 LYS~? 15.88 O1 SO4 B 243 coo 54.50 104.32 58.69 55.83 105.69 59.81 -1.23 10.13 12.55 -1.38 8.70 14.23 coo 57.63 101.19 59.83 56.60 100.89 57.99 -3.61 13.59 12.62 -5.22 13.58 13.96 coo 61.58 95.88 55.22 58.18 99.30 54.71 -8.85 13.11 20.72 -7.39 14.71 15.31 ULMN 3 1pym_c01 PHOSPHOENOLPYRUVATE MUTASE user 4 3 # 4 B 48 LEU B 225 LEU^? 14.24 O1 SO4 B 243 B 58 ASP B 210 ASP^? 16.02 O1 SO4 B 243 B 120 LYS B 118 LYS~? 15.88 O1 SO4 B 243 coo 54.50 104.32 58.69 55.83 105.69 59.81 -5.80 18.54 10.91 -6.95 16.76 10.96 coo 57.63 101.19 59.83 56.60 100.89 57.99 -3.61 13.59 12.62 -5.22 13.58 13.96 coo 61.58 95.88 55.22 58.18 99.30 54.71 -8.85 13.11 20.72 -7.39 14.71 15.31 1pym_c01 source 1pym PHOSPHOENOLPYRUVATE MUTASE : 4 hits 1pym_c01 naa= 3 ULMN 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 1 3 # 1 A 67 ASP A 204 ASP.? 25.99 O3 SO4 A 243 A 68 ALA A 190 ALA.? 22.76 O3 SO4 A 243 A 72 LEU A 206 LEU^? 19.48 O3 SO4 A 243 coo 46.76 7.59 18.65 45.27 6.01 18.52 0.25 4.29 -7.71 -1.48 3.39 -8.50 coo 48.88 4.35 16.59 48.73 5.09 15.20 5.58 4.36 -9.42 4.38 3.38 -9.16 coo 53.89 6.25 15.09 52.88 7.92 14.14 5.36 5.28 -3.85 5.05 3.55 -5.18 ULMN 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 2 3 # 2 A 67 ASP A 204 ASP.? 25.99 O3 SO4 A 243 A 68 ALA A 205 ALA^? 24.68 O3 SO4 A 243 A 72 LEU A 206 LEU^? 19.48 O3 SO4 A 243 coo 46.76 7.59 18.65 45.27 6.01 18.52 0.25 4.29 -7.71 -1.48 3.39 -8.50 coo 48.88 4.35 16.59 48.73 5.09 15.20 1.77 7.85 -5.50 0.81 8.85 -4.71 coo 53.89 6.25 15.09 52.88 7.92 14.14 5.36 5.28 -3.85 5.05 3.55 -5.18 ULMN 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 3 3 # 3 A 67 ASP B 204 ASP.? 26.31 O1 SO4 B 243 A 68 ALA B 190 ALA.? 22.71 O1 SO4 B 243 A 72 LEU B 206 LEU^? 19.76 O1 SO4 B 243 coo 46.76 7.59 18.65 45.27 6.01 18.52 -4.03 18.39 -5.24 -3.87 19.29 -7.14 coo 48.88 4.35 16.59 48.73 5.09 15.20 -8.03 18.28 -1.32 -7.18 19.41 -2.08 coo 53.89 6.25 15.09 52.88 7.92 14.14 -3.03 17.42 1.15 -4.10 19.03 0.13 ULMN 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 4 3 # 4 A 67 ASP B 204 ASP.? 26.31 O1 SO4 B 243 A 68 ALA B 205 ALA^? 25.02 O1 SO4 B 243 A 72 LEU B 206 LEU^? 19.76 O1 SO4 B 243 coo 46.76 7.59 18.65 45.27 6.01 18.52 -4.03 18.39 -5.24 -3.87 19.29 -7.14 coo 48.88 4.35 16.59 48.73 5.09 15.20 -2.77 14.78 -2.82 -1.68 13.76 -3.29 coo 53.89 6.25 15.09 52.88 7.92 14.14 -3.03 17.42 1.15 -4.10 19.03 0.13 1q6l_c05 source 1q6l 3-KETO-L-GULONATE 6-PHOSPHATE DECARBOXYLASE : 4 hits 1q6l_c05 naa= 3 ULMN 3 1qe3_c00 PARA-NITROBENZYL ESTERASE user 1 3 # 1 A 189 SER A 112 SER~? 20.45 O3 SO4 A 243 A 310 GLU A 129 GLU^? 16.53 O1 SO4 A 243 A 399 HIS A 147 HIS^? 14.45 O3 SO4 A 243 coo 2.67 37.96 55.23 1.78 40.01 56.16 25.66 6.18 -8.96 23.56 6.25 -7.69 coo 6.61 38.44 63.61 6.69 38.31 61.50 20.62 -2.18 -6.03 20.44 -1.20 -7.86 coo 4.95 41.82 59.53 3.85 40.70 58.14 22.73 1.14 -3.20 21.31 1.29 -4.76 ULMN 3 1qe3_c00 PARA-NITROBENZYL ESTERASE user 2 3 # 2 A 189 SER A 224 SER^? 7.40 O3 SO4 A 243 A 310 GLU A 129 GLU^? 16.53 O1 SO4 A 243 A 399 HIS A 147 HIS^? 14.45 O3 SO4 A 243 coo 2.67 37.96 55.23 1.78 40.01 56.16 18.13 2.56 1.79 18.41 0.79 3.71 coo 6.61 38.44 63.61 6.69 38.31 61.50 20.62 -2.18 -6.03 20.44 -1.20 -7.86 coo 4.95 41.82 59.53 3.85 40.70 58.14 22.73 1.14 -3.20 21.31 1.29 -4.76 ULMN 3 1qe3_c00 PARA-NITROBENZYL ESTERASE user 3 3 # 3 A 189 SER B 224 SER^? 7.35 O1 SO4 B 243 A 310 GLU B 129 GLU^? 16.54 O1 SO4 B 243 A 399 HIS B 147 HIS^? 14.18 O1 SO4 B 243 coo 2.67 37.96 55.23 1.78 40.01 56.16 -4.24 20.16 15.05 -2.83 21.89 16.14 coo 6.61 38.44 63.61 6.69 38.31 61.50 -12.39 24.89 13.45 -13.91 23.80 12.41 coo 4.95 41.82 59.53 3.85 40.70 58.14 -10.85 21.55 16.70 -11.51 21.37 14.71 1qe3_c00 source 1qe3 PARA-NITROBENZYL ESTERASE : 3 hits 1qe3_c00 naa= 3 ULMN 3 1qfm_c00 PROLYL OLIGOPEPTIDASE user 1 3 # 1 A 554 SER A 105 SER^? 14.75 O1 SO4 A 243 A 641 ASP A 157 ASP~? 15.53 O1 SO4 A 243 A 680 HIS A 106 HIS^? 13.08 O1 SO4 A 243 coo 34.48 40.33 79.08 36.40 39.98 80.55 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo 40.64 47.22 77.43 39.90 45.49 78.43 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo 38.53 44.50 81.45 37.60 42.73 80.84 22.50 -10.50 -3.88 23.13 -12.51 -3.91 ULMN 3 1qfm_c00 PROLYL OLIGOPEPTIDASE user 2 3 # 2 A 554 SER B 105 SER^? 14.66 O3 SO4 B 243 A 641 ASP B 157 ASP~? 15.61 O3 SO4 B 243 A 680 HIS B 106 HIS^? 13.01 O3 SO4 B 243 coo 34.48 40.33 79.08 36.40 39.98 80.55 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 40.64 47.22 77.43 39.90 45.49 78.43 -12.32 32.41 21.01 -13.75 33.02 22.44 coo 38.53 44.50 81.45 37.60 42.73 80.84 -11.40 33.04 16.07 -11.74 35.05 16.56 1qfm_c00 source 1qfm PROLYL OLIGOPEPTIDASE : 2 hits 1qfm_c00 naa= 3 ULMN 3 1qgn_c00 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 # 1 A 155 HIS B 229 HIS^? 22.78 O1 SO4 B 243 A 236 ASP A 210 ASP^? 16.17 O3 SO4 A 243 A 261 LYS A 113 LYS~? 30.41 O3 SO4 A 243 coo 55.45 46.76 42.08 57.34 46.16 42.75 0.17 20.57 -3.28 -0.12 19.82 -5.21 coo 48.87 29.19 44.63 49.10 27.34 43.63 15.65 9.10 1.05 17.66 9.20 0.39 coo 47.58 17.35 41.83 51.40 20.85 40.83 26.35 9.86 -8.18 28.43 13.70 -12.96 1qgn_c00 source 1qgn CYSTATHIONINE GAMMA-SYNTHASE : 1 hits 1qgn_c00 naa= 3 ULMN 3 1qgn_c01 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 # 1 B 155 HIS A 229 HIS^? 22.39 O3 SO4 A 243 B 236 ASP B 210 ASP^? 16.02 O1 SO4 B 243 B 261 LYS B 113 LYS~? 30.21 O1 SO4 B 243 coo 17.23 -29.05 11.63 18.63 -29.78 10.25 -0.05 2.05 -3.08 -1.62 2.78 -4.27 coo 26.18 -12.82 8.91 27.87 -11.87 9.77 -3.61 13.59 12.62 -5.22 13.58 13.96 coo 34.76 -4.30 11.09 34.67 -9.53 11.78 -16.92 12.76 17.51 -22.08 8.80 17.21 ULMN 3 1qgn_c01 CYSTATHIONINE GAMMA-SYNTHASE user 2 3 # 2 B 155 HIS B 229 HIS^? 22.78 O1 SO4 B 243 B 236 ASP A 210 ASP^? 16.17 O3 SO4 A 243 B 261 LYS A 113 LYS~? 30.41 O3 SO4 A 243 coo 17.23 -29.05 11.63 18.63 -29.78 10.25 0.17 20.57 -3.28 -0.12 19.82 -5.21 coo 26.18 -12.82 8.91 27.87 -11.87 9.77 15.65 9.10 1.05 17.66 9.20 0.39 coo 34.76 -4.30 11.09 34.67 -9.53 11.78 26.35 9.86 -8.18 28.43 13.70 -12.96 1qgn_c01 source 1qgn CYSTATHIONINE GAMMA-SYNTHASE : 2 hits 1qgn_c01 naa= 3 ULMN 3 1qgn_c02 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 # 1 C 155 HIS A 229 HIS^? 22.39 O3 SO4 A 243 C 236 ASP B 210 ASP^? 16.02 O1 SO4 B 243 C 261 LYS B 113 LYS~? 30.21 O1 SO4 B 243 coo 55.11 47.10 12.61 53.44 47.85 11.58 -0.05 2.05 -3.08 -1.62 2.78 -4.27 coo 45.78 31.11 9.51 44.25 30.06 10.53 -3.61 13.59 12.62 -5.22 13.58 13.96 coo 37.54 22.37 12.10 37.83 27.55 13.24 -16.92 12.76 17.51 -22.08 8.80 17.21 ULMN 3 1qgn_c02 CYSTATHIONINE GAMMA-SYNTHASE user 2 3 # 2 C 155 HIS B 229 HIS^? 22.78 O1 SO4 B 243 C 236 ASP A 210 ASP^? 16.17 O3 SO4 A 243 C 261 LYS A 113 LYS~? 30.41 O3 SO4 A 243 coo 55.11 47.10 12.61 53.44 47.85 11.58 0.17 20.57 -3.28 -0.12 19.82 -5.21 coo 45.78 31.11 9.51 44.25 30.06 10.53 15.65 9.10 1.05 17.66 9.20 0.39 coo 37.54 22.37 12.10 37.83 27.55 13.24 26.35 9.86 -8.18 28.43 13.70 -12.96 1qgn_c02 source 1qgn CYSTATHIONINE GAMMA-SYNTHASE : 2 hits 1qgn_c02 naa= 3 ULMN 3 1qgn_c03 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 # 1 D 155 HIS A 229 HIS^? 22.39 O3 SO4 A 243 D 236 ASP B 210 ASP^? 16.02 O1 SO4 B 243 D 261 LYS B 113 LYS~? 30.21 O1 SO4 B 243 coo 21.65 -31.73 40.91 19.91 -31.10 41.91 -0.05 2.05 -3.08 -1.62 2.78 -4.27 coo 28.41 -14.31 44.14 27.98 -12.36 43.41 -3.61 13.59 12.62 -5.22 13.58 13.96 coo 29.23 -2.19 42.26 25.35 -5.68 41.50 -16.92 12.76 17.51 -22.08 8.80 17.21 ULMN 3 1qgn_c03 CYSTATHIONINE GAMMA-SYNTHASE user 2 3 # 2 D 155 HIS B 229 HIS^? 22.78 O1 SO4 B 243 D 236 ASP A 210 ASP^? 16.17 O3 SO4 A 243 D 261 LYS A 113 LYS~? 30.41 O3 SO4 A 243 coo 21.65 -31.73 40.91 19.91 -31.10 41.91 0.17 20.57 -3.28 -0.12 19.82 -5.21 coo 28.41 -14.31 44.14 27.98 -12.36 43.41 15.65 9.10 1.05 17.66 9.20 0.39 coo 29.23 -2.19 42.26 25.35 -5.68 41.50 26.35 9.86 -8.18 28.43 13.70 -12.96 1qgn_c03 source 1qgn CYSTATHIONINE GAMMA-SYNTHASE : 2 hits 1qgn_c03 naa= 3 ULMN 3 1qgn_c04 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 # 1 E 155 HIS A 229 HIS^? 22.39 O3 SO4 A 243 E 236 ASP B 210 ASP^? 16.02 O1 SO4 B 243 E 261 LYS B 113 LYS~? 30.21 O1 SO4 B 243 coo 76.61 -27.00 -35.69 75.87 -28.77 -34.87 -0.05 2.05 -3.08 -1.62 2.78 -4.27 coo 59.54 -19.27 -32.99 57.70 -19.44 -33.97 -3.61 13.59 12.62 -5.22 13.58 13.96 coo 47.72 -17.32 -35.69 50.97 -21.34 -36.71 -16.92 12.76 17.51 -22.08 8.80 17.21 ULMN 3 1qgn_c04 CYSTATHIONINE GAMMA-SYNTHASE user 2 3 # 2 E 155 HIS B 229 HIS^? 22.78 O1 SO4 B 243 E 236 ASP A 210 ASP^? 16.17 O3 SO4 A 243 E 261 LYS A 113 LYS~? 30.41 O3 SO4 A 243 coo 76.61 -27.00 -35.69 75.87 -28.77 -34.87 0.17 20.57 -3.28 -0.12 19.82 -5.21 coo 59.54 -19.27 -32.99 57.70 -19.44 -33.97 15.65 9.10 1.05 17.66 9.20 0.39 coo 47.72 -17.32 -35.69 50.97 -21.34 -36.71 26.35 9.86 -8.18 28.43 13.70 -12.96 1qgn_c04 source 1qgn CYSTATHIONINE GAMMA-SYNTHASE : 2 hits 1qgn_c04 naa= 3 ULMN 3 1qgn_c05 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 # 1 F 155 HIS B 229 HIS^? 22.78 O1 SO4 B 243 F 236 ASP A 210 ASP^? 16.17 O3 SO4 A 243 F 261 LYS A 113 LYS~? 30.41 O3 SO4 A 243 coo 3.13 15.54 -65.72 2.08 14.15 -66.89 0.17 20.57 -3.28 -0.12 19.82 -5.21 coo 18.75 5.49 -68.65 19.58 3.75 -67.80 15.65 9.10 1.05 17.66 9.20 0.39 coo 26.66 -3.59 -66.44 21.49 -3.17 -65.71 26.35 9.86 -8.18 28.43 13.70 -12.96 1qgn_c05 source 1qgn CYSTATHIONINE GAMMA-SYNTHASE : 1 hits 1qgn_c05 naa= 3 ULMN 3 1qgn_c06 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 # 1 G 155 HIS A 229 HIS^? 22.39 O3 SO4 A 243 G 236 ASP B 210 ASP^? 16.02 O1 SO4 B 243 G 261 LYS B 113 LYS~? 30.21 O1 SO4 B 243 coo 76.68 -27.27 -65.07 77.71 -25.72 -66.04 -0.05 2.05 -3.08 -1.62 2.78 -4.27 coo 61.22 -16.97 -68.13 60.30 -15.38 -67.08 -3.61 13.59 12.62 -5.22 13.58 13.96 coo 53.04 -8.15 -65.60 58.23 -8.69 -64.55 -16.92 12.76 17.51 -22.08 8.80 17.21 ULMN 3 1qgn_c06 CYSTATHIONINE GAMMA-SYNTHASE user 2 3 # 2 G 155 HIS B 229 HIS^? 22.78 O1 SO4 B 243 G 236 ASP A 210 ASP^? 16.17 O3 SO4 A 243 G 261 LYS A 113 LYS~? 30.41 O3 SO4 A 243 coo 76.68 -27.27 -65.07 77.71 -25.72 -66.04 0.17 20.57 -3.28 -0.12 19.82 -5.21 coo 61.22 -16.97 -68.13 60.30 -15.38 -67.08 15.65 9.10 1.05 17.66 9.20 0.39 coo 53.04 -8.15 -65.60 58.23 -8.69 -64.55 26.35 9.86 -8.18 28.43 13.70 -12.96 1qgn_c06 source 1qgn CYSTATHIONINE GAMMA-SYNTHASE : 2 hits 1qgn_c06 naa= 3 ULMN 3 1qgn_c07 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 # 1 H 155 HIS A 229 HIS^? 22.39 O3 SO4 A 243 H 236 ASP B 210 ASP^? 16.02 O1 SO4 B 243 H 261 LYS B 113 LYS~? 30.21 O1 SO4 B 243 coo 0.50 11.68 -36.58 0.99 13.43 -35.52 -0.05 2.05 -3.08 -1.62 2.78 -4.27 coo 17.57 3.99 -33.38 19.51 4.24 -34.16 -3.61 13.59 12.62 -5.22 13.58 13.96 coo 29.54 2.32 -35.34 26.33 6.41 -36.17 -16.92 12.76 17.51 -22.08 8.80 17.21 ULMN 3 1qgn_c07 CYSTATHIONINE GAMMA-SYNTHASE user 2 3 # 2 H 155 HIS B 229 HIS^? 22.78 O1 SO4 B 243 H 236 ASP A 210 ASP^? 16.17 O3 SO4 A 243 H 261 LYS A 113 LYS~? 30.41 O3 SO4 A 243 coo 0.50 11.68 -36.58 0.99 13.43 -35.52 0.17 20.57 -3.28 -0.12 19.82 -5.21 coo 17.57 3.99 -33.38 19.51 4.24 -34.16 15.65 9.10 1.05 17.66 9.20 0.39 coo 29.54 2.32 -35.34 26.33 6.41 -36.17 26.35 9.86 -8.18 28.43 13.70 -12.96 1qgn_c07 source 1qgn CYSTATHIONINE GAMMA-SYNTHASE : 2 hits 1qgn_c07 naa= 3 ULMN 3 1qgn_c08 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 # 1 A 163 TYR A 148 TYR^? 8.27 O1 SO4 A 243 A 236 ASP A 157 ASP~? 15.53 O1 SO4 A 243 A 261 LYS A 131 LYS^? 17.03 O1 SO4 A 243 coo 55.48 26.51 40.65 55.39 23.99 39.43 25.02 -3.19 2.22 22.65 -3.79 3.58 coo 48.87 29.19 44.63 49.10 27.34 43.63 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo 47.58 17.35 41.83 51.40 20.85 40.83 16.33 -5.43 -3.31 16.51 -3.10 -9.13 ULMN 3 1qgn_c08 CYSTATHIONINE GAMMA-SYNTHASE user 2 3 # 2 A 163 TYR B 148 TYR^? 8.32 O1 SO4 B 243 A 236 ASP B 157 ASP~? 15.61 O3 SO4 B 243 A 261 LYS B 131 LYS^? 17.11 O1 SO4 B 243 coo 55.48 26.51 40.65 55.39 23.99 39.43 -7.17 25.88 21.30 -4.84 26.54 19.90 coo 48.87 29.19 44.63 49.10 27.34 43.63 -12.32 32.41 21.01 -13.75 33.02 22.44 coo 47.58 17.35 41.83 51.40 20.85 40.83 -7.93 28.07 10.94 -13.10 25.67 8.39 1qgn_c08 source 1qgn CYSTATHIONINE GAMMA-SYNTHASE : 2 hits 1qgn_c08 naa= 3 ULMN 3 1qgn_c09 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 # 1 B 163 TYR A 148 TYR^? 8.27 O1 SO4 A 243 B 236 ASP A 157 ASP~? 15.53 O1 SO4 A 243 B 261 LYS A 131 LYS^? 17.03 O1 SO4 A 243 coo 32.99 -16.32 11.66 35.01 -14.70 12.72 25.02 -3.19 2.22 22.65 -3.79 3.58 coo 26.18 -12.82 8.91 27.87 -11.87 9.77 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo 34.76 -4.30 11.09 34.67 -9.53 11.78 16.33 -5.43 -3.31 16.51 -3.10 -9.13 ULMN 3 1qgn_c09 CYSTATHIONINE GAMMA-SYNTHASE user 2 3 # 2 B 163 TYR B 148 TYR^? 8.32 O1 SO4 B 243 B 236 ASP B 157 ASP~? 15.61 O3 SO4 B 243 B 261 LYS B 131 LYS^? 17.11 O1 SO4 B 243 coo 32.99 -16.32 11.66 35.01 -14.70 12.72 -7.17 25.88 21.30 -4.84 26.54 19.90 coo 26.18 -12.82 8.91 27.87 -11.87 9.77 -12.32 32.41 21.01 -13.75 33.02 22.44 coo 34.76 -4.30 11.09 34.67 -9.53 11.78 -7.93 28.07 10.94 -13.10 25.67 8.39 1qgn_c09 source 1qgn CYSTATHIONINE GAMMA-SYNTHASE : 2 hits 1qgn_c09 naa= 3 ULMN 3 1qgn_c10 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 # 1 C 163 TYR A 148 TYR^? 8.27 O1 SO4 A 243 C 236 ASP A 157 ASP~? 15.53 O1 SO4 A 243 C 261 LYS A 131 LYS^? 17.03 O1 SO4 A 243 coo 39.51 34.34 13.63 37.63 32.61 14.79 25.02 -3.19 2.22 22.65 -3.79 3.58 coo 45.78 31.11 9.51 44.25 30.06 10.53 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo 37.54 22.37 12.10 37.83 27.55 13.24 16.33 -5.43 -3.31 16.51 -3.10 -9.13 ULMN 3 1qgn_c10 CYSTATHIONINE GAMMA-SYNTHASE user 2 3 # 2 C 163 TYR B 148 TYR^? 8.32 O1 SO4 B 243 C 236 ASP B 157 ASP~? 15.61 O3 SO4 B 243 C 261 LYS B 131 LYS^? 17.11 O1 SO4 B 243 coo 39.51 34.34 13.63 37.63 32.61 14.79 -7.17 25.88 21.30 -4.84 26.54 19.90 coo 45.78 31.11 9.51 44.25 30.06 10.53 -12.32 32.41 21.01 -13.75 33.02 22.44 coo 37.54 22.37 12.10 37.83 27.55 13.24 -7.93 28.07 10.94 -13.10 25.67 8.39 1qgn_c10 source 1qgn CYSTATHIONINE GAMMA-SYNTHASE : 2 hits 1qgn_c10 naa= 3 ULMN 3 1qgn_c11 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 # 1 D 163 TYR A 148 TYR^? 8.27 O1 SO4 A 243 D 236 ASP A 157 ASP~? 15.53 O1 SO4 A 243 D 261 LYS A 131 LYS^? 17.03 O1 SO4 A 243 coo 21.28 -11.43 41.42 21.14 -8.83 40.39 25.02 -3.19 2.22 22.65 -3.79 3.58 coo 28.41 -14.31 44.14 27.98 -12.36 43.41 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo 29.23 -2.19 42.26 25.35 -5.68 41.50 16.33 -5.43 -3.31 16.51 -3.10 -9.13 ULMN 3 1qgn_c11 CYSTATHIONINE GAMMA-SYNTHASE user 2 3 # 2 D 163 TYR B 148 TYR^? 8.32 O1 SO4 B 243 D 236 ASP B 157 ASP~? 15.61 O3 SO4 B 243 D 261 LYS B 131 LYS^? 17.11 O1 SO4 B 243 coo 21.28 -11.43 41.42 21.14 -8.83 40.39 -7.17 25.88 21.30 -4.84 26.54 19.90 coo 28.41 -14.31 44.14 27.98 -12.36 43.41 -12.32 32.41 21.01 -13.75 33.02 22.44 coo 29.23 -2.19 42.26 25.35 -5.68 41.50 -7.93 28.07 10.94 -13.10 25.67 8.39 1qgn_c11 source 1qgn CYSTATHIONINE GAMMA-SYNTHASE : 2 hits 1qgn_c11 naa= 3 ULMN 3 1qgn_c12 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 # 1 E 163 TYR A 148 TYR^? 8.27 O1 SO4 A 243 E 236 ASP A 157 ASP~? 15.53 O1 SO4 A 243 E 261 LYS A 131 LYS^? 17.03 O1 SO4 A 243 coo 56.39 -25.68 -36.91 53.88 -25.46 -38.13 25.02 -3.19 2.22 22.65 -3.79 3.58 coo 59.54 -19.27 -32.99 57.70 -19.44 -33.97 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo 47.72 -17.32 -35.69 50.97 -21.34 -36.71 16.33 -5.43 -3.31 16.51 -3.10 -9.13 ULMN 3 1qgn_c12 CYSTATHIONINE GAMMA-SYNTHASE user 2 3 # 2 E 163 TYR B 148 TYR^? 8.32 O1 SO4 B 243 E 236 ASP B 157 ASP~? 15.61 O3 SO4 B 243 E 261 LYS B 131 LYS^? 17.11 O1 SO4 B 243 coo 56.39 -25.68 -36.91 53.88 -25.46 -38.13 -7.17 25.88 21.30 -4.84 26.54 19.90 coo 59.54 -19.27 -32.99 57.70 -19.44 -33.97 -12.32 32.41 21.01 -13.75 33.02 22.44 coo 47.72 -17.32 -35.69 50.97 -21.34 -36.71 -7.93 28.07 10.94 -13.10 25.67 8.39 1qgn_c12 source 1qgn CYSTATHIONINE GAMMA-SYNTHASE : 2 hits 1qgn_c12 naa= 3 ULMN 3 1qgn_c13 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 # 1 F 163 TYR A 148 TYR^? 8.27 O1 SO4 A 243 F 236 ASP A 157 ASP~? 15.53 O1 SO4 A 243 F 261 LYS A 131 LYS^? 17.03 O1 SO4 A 243 coo 14.88 -1.19 -65.80 16.37 -3.30 -64.72 25.02 -3.19 2.22 22.65 -3.79 3.58 coo 18.75 5.49 -68.65 19.58 3.75 -67.80 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo 26.66 -3.59 -66.44 21.49 -3.17 -65.71 16.33 -5.43 -3.31 16.51 -3.10 -9.13 ULMN 3 1qgn_c13 CYSTATHIONINE GAMMA-SYNTHASE user 2 3 # 2 F 163 TYR B 148 TYR^? 8.32 O1 SO4 B 243 F 236 ASP B 157 ASP~? 15.61 O3 SO4 B 243 F 261 LYS B 131 LYS^? 17.11 O1 SO4 B 243 coo 14.88 -1.19 -65.80 16.37 -3.30 -64.72 -7.17 25.88 21.30 -4.84 26.54 19.90 coo 18.75 5.49 -68.65 19.58 3.75 -67.80 -12.32 32.41 21.01 -13.75 33.02 22.44 coo 26.66 -3.59 -66.44 21.49 -3.17 -65.71 -7.93 28.07 10.94 -13.10 25.67 8.39 1qgn_c13 source 1qgn CYSTATHIONINE GAMMA-SYNTHASE : 2 hits 1qgn_c13 naa= 3 ULMN 3 1qgn_c14 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 # 1 G 163 TYR A 148 TYR^? 8.27 O1 SO4 A 243 G 236 ASP A 157 ASP~? 15.53 O1 SO4 A 243 G 261 LYS A 131 LYS^? 17.03 O1 SO4 A 243 coo 64.84 -10.79 -64.16 63.27 -8.78 -63.00 25.02 -3.19 2.22 22.65 -3.79 3.58 coo 61.22 -16.97 -68.13 60.30 -15.38 -67.08 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo 53.04 -8.15 -65.60 58.23 -8.69 -64.55 16.33 -5.43 -3.31 16.51 -3.10 -9.13 ULMN 3 1qgn_c14 CYSTATHIONINE GAMMA-SYNTHASE user 2 3 # 2 G 163 TYR B 148 TYR^? 8.32 O1 SO4 B 243 G 236 ASP B 157 ASP~? 15.61 O3 SO4 B 243 G 261 LYS B 131 LYS^? 17.11 O1 SO4 B 243 coo 64.84 -10.79 -64.16 63.27 -8.78 -63.00 -7.17 25.88 21.30 -4.84 26.54 19.90 coo 61.22 -16.97 -68.13 60.30 -15.38 -67.08 -12.32 32.41 21.01 -13.75 33.02 22.44 coo 53.04 -8.15 -65.60 58.23 -8.69 -64.55 -7.93 28.07 10.94 -13.10 25.67 8.39 1qgn_c14 source 1qgn CYSTATHIONINE GAMMA-SYNTHASE : 2 hits 1qgn_c14 naa= 3 ULMN 3 1qgn_c15 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 # 1 H 163 TYR A 148 TYR^? 8.27 O1 SO4 A 243 H 236 ASP A 157 ASP~? 15.53 O1 SO4 A 243 H 261 LYS A 131 LYS^? 17.03 O1 SO4 A 243 coo 20.90 10.83 -36.23 23.51 10.75 -37.23 25.02 -3.19 2.22 22.65 -3.79 3.58 coo 17.57 3.99 -33.38 19.51 4.24 -34.16 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo 29.54 2.32 -35.34 26.33 6.41 -36.17 16.33 -5.43 -3.31 16.51 -3.10 -9.13 ULMN 3 1qgn_c15 CYSTATHIONINE GAMMA-SYNTHASE user 2 3 # 2 H 163 TYR B 148 TYR^? 8.32 O1 SO4 B 243 H 236 ASP B 157 ASP~? 15.61 O3 SO4 B 243 H 261 LYS B 131 LYS^? 17.11 O1 SO4 B 243 coo 20.90 10.83 -36.23 23.51 10.75 -37.23 -7.17 25.88 21.30 -4.84 26.54 19.90 coo 17.57 3.99 -33.38 19.51 4.24 -34.16 -12.32 32.41 21.01 -13.75 33.02 22.44 coo 29.54 2.32 -35.34 26.33 6.41 -36.17 -7.93 28.07 10.94 -13.10 25.67 8.39 1qgn_c15 source 1qgn CYSTATHIONINE GAMMA-SYNTHASE : 2 hits 1qgn_c15 naa= 3 ULMN 3 1qgn_c18 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 # 1 A 163 TYR B 148 TYR^? 8.32 O1 SO4 B 243 A 236 ASP B 157 ASP~? 15.61 O3 SO4 B 243 C 110 ARG B 132 ARG^? -2.94 O3 SO4 B 243s coo 55.48 26.51 40.65 55.39 23.99 39.43 -7.17 25.88 21.30 -4.84 26.54 19.90 coo 48.87 29.19 44.63 49.10 27.34 43.63 -12.32 32.41 21.01 -13.75 33.02 22.44 coo 52.39 23.42 32.10 54.51 23.27 34.29 -3.03 30.55 13.28 -1.00 29.32 15.28 1qgn_c18 source 1qgn CYSTATHIONINE GAMMA-SYNTHASE : 1 hits 1qgn_c18 naa= 3 ULMN 3 1qgn_c22 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 # 1 E 163 TYR B 148 TYR^? 8.32 O1 SO4 B 243 E 236 ASP B 157 ASP~? 15.61 O3 SO4 B 243 G 110 ARG B 132 ARG^? -2.94 O3 SO4 B 243s coo 56.39 -25.68 -36.91 53.88 -25.46 -38.13 -7.17 25.88 21.30 -4.84 26.54 19.90 coo 59.54 -19.27 -32.99 57.70 -19.44 -33.97 -12.32 32.41 21.01 -13.75 33.02 22.44 coo 53.35 -22.70 -45.35 52.95 -24.81 -43.16 -3.03 30.55 13.28 -1.00 29.32 15.28 1qgn_c22 source 1qgn CYSTATHIONINE GAMMA-SYNTHASE : 1 hits 1qgn_c22 naa= 3 ULMN 3 1qho_c05 ALPHA-AMYLASE user 1 3 # 1 A 228 ASP A 199 ASP~? 23.37 O3 SO4 A 243 A 261 ASP A 162 ASP.? 11.51 O1 SO4 A 243 A 329 ASP A 138 ASP.? 20.83 O2 SO4 A 243 coo 28.46 69.88 26.74 30.40 70.70 26.53 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 coo 34.02 79.89 42.60 34.73 78.01 41.86 14.78 -15.75 1.96 14.18 -15.13 0.01 coo 37.87 70.12 31.80 36.61 69.74 30.15 -1.07 -12.13 0.13 -1.24 -14.06 1.00 ULMN 3 1qho_c05 ALPHA-AMYLASE user 2 3 # 2 A 228 ASP B 199 ASP~? 23.68 O1 SO4 B 243 A 261 ASP B 162 ASP.? 11.47 O3 SO4 B 243 A 329 ASP B 138 ASP.? 20.16 O4 SO4 B 243 coo 28.46 69.88 26.74 30.40 70.70 26.53 -3.04 28.39 -4.12 -2.88 29.28 -6.05 coo 34.02 79.89 42.60 34.73 78.01 41.86 -2.91 38.69 12.19 -3.85 37.85 10.43 coo 37.87 70.12 31.80 36.61 69.74 30.15 3.17 35.06 -2.07 1.06 35.64 -2.11 1qho_c05 source 1qho ALPHA-AMYLASE : 2 hits 1qho_c05 naa= 3 ULMN 3 1qj4_c00 HYDROXYNITRILE LYASE user 1 3 # 1 A 80 SER A 105 SER^? 14.75 O1 SO4 A 243 A 207 ASP A 157 ASP~? 15.53 O1 SO4 A 243 A 235 HIS A 106 HIS^? 13.08 O1 SO4 A 243 coo 15.54 46.73 17.13 17.06 48.44 16.17 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo 23.60 50.31 20.82 21.66 50.51 20.06 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo 20.17 51.16 17.08 18.31 50.28 17.44 22.50 -10.50 -3.88 23.13 -12.51 -3.91 ULMN 3 1qj4_c00 HYDROXYNITRILE LYASE user 2 3 # 2 A 80 SER B 105 SER^? 14.66 O3 SO4 B 243 A 207 ASP B 157 ASP~? 15.61 O3 SO4 B 243 A 235 HIS B 106 HIS^? 13.01 O3 SO4 B 243 coo 15.54 46.73 17.13 17.06 48.44 16.17 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 23.60 50.31 20.82 21.66 50.51 20.06 -12.32 32.41 21.01 -13.75 33.02 22.44 coo 20.17 51.16 17.08 18.31 50.28 17.44 -11.40 33.04 16.07 -11.74 35.05 16.56 1qj4_c00 source 1qj4 HYDROXYNITRILE LYASE : 2 hits 1qj4_c00 naa= 3 ULMN 3 1qol_c00 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 # 1 A 51 ALA A 205 ALA^? 24.68 O3 SO4 A 243 A 148 HIS A 229 HIS^? 22.39 O3 SO4 A 243 A 163 ASP A 201 ASP.? 28.67 O3 SO4 A 243 coo 1.42 19.18 21.84 1.11 19.57 23.28 1.77 7.85 -5.50 0.81 8.85 -4.71 coo 0.71 19.67 27.92 2.43 19.16 26.83 -0.05 2.05 -3.08 -1.62 2.78 -4.27 coo 7.15 16.22 27.50 6.15 18.00 27.94 -1.72 1.66 -11.39 -3.36 0.47 -11.68 ULMN 3 1qol_c00 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 2 3 # 2 A 51 ALA A 213 ALA^? 10.00 O4 SO4 A 243 A 148 HIS A 180 HIS^? 16.73 O4 SO4 A 243 A 163 ASP A 218 ASP~? 20.27 O4 SO4 A 243 coo 1.42 19.18 21.84 1.11 19.57 23.28 22.60 4.81 8.44 22.43 3.32 8.50 coo 0.71 19.67 27.92 2.43 19.16 26.83 23.63 8.86 13.89 25.45 9.53 13.13 coo 7.15 16.22 27.50 6.15 18.00 27.94 29.47 11.44 11.56 27.66 12.20 10.67 ULMN 3 1qol_c00 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 3 3 # 3 A 51 ALA B 205 ALA^? 25.02 O1 SO4 B 243 A 148 HIS B 229 HIS^? 22.78 O1 SO4 B 243 A 163 ASP B 201 ASP.? 28.94 O1 SO4 B 243 coo 1.42 19.18 21.84 1.11 19.57 23.28 -2.77 14.78 -2.82 -1.68 13.76 -3.29 coo 0.71 19.67 27.92 2.43 19.16 26.83 0.17 20.57 -3.28 -0.12 19.82 -5.21 coo 7.15 16.22 27.50 6.15 18.00 27.94 -6.53 20.97 -8.85 -5.67 22.23 -10.32 ULMN 3 1qol_c00 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 4 3 # 4 A 51 ALA B 213 ALA^? 9.77 O1 SO4 B 243 A 148 HIS B 180 HIS^? 17.04 O1 SO4 B 243 A 163 ASP B 218 ASP~? 20.31 O1 SO4 B 243 coo 1.42 19.18 21.84 1.11 19.57 23.28 -0.45 17.94 22.18 -0.36 19.49 22.01 coo 0.71 19.67 27.92 2.43 19.16 26.83 3.74 13.87 25.77 2.21 13.26 27.09 coo 7.15 16.22 27.50 6.15 18.00 27.94 -1.00 11.19 29.58 -0.84 10.48 27.56 1qol_c00 source 1qol PROTEASE (NONSTRUCTURAL PROTEIN P20A) : 4 hits 1qol_c00 naa= 3 ULMN 3 1qol_c01 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 # 1 B 51 ALA A 205 ALA^? 24.68 O3 SO4 A 243 B 148 HIS A 229 HIS^? 22.39 O3 SO4 A 243 B 163 ASP A 201 ASP.? 28.67 O3 SO4 A 243 coo -33.97 19.78 54.18 -33.40 20.11 52.82 1.77 7.85 -5.50 0.81 8.85 -4.71 coo -33.17 20.01 48.16 -34.95 19.37 49.06 -0.05 2.05 -3.08 -1.62 2.78 -4.27 coo -39.82 16.62 48.85 -38.59 18.24 48.48 -1.72 1.66 -11.39 -3.36 0.47 -11.68 ULMN 3 1qol_c01 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 2 3 # 2 B 51 ALA A 213 ALA^? 10.00 O4 SO4 A 243 B 148 HIS A 180 HIS^? 16.73 O4 SO4 A 243 B 163 ASP A 218 ASP~? 20.27 O4 SO4 A 243 coo -33.97 19.78 54.18 -33.40 20.11 52.82 22.60 4.81 8.44 22.43 3.32 8.50 coo -33.17 20.01 48.16 -34.95 19.37 49.06 23.63 8.86 13.89 25.45 9.53 13.13 coo -39.82 16.62 48.85 -38.59 18.24 48.48 29.47 11.44 11.56 27.66 12.20 10.67 ULMN 3 1qol_c01 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 3 3 # 3 B 51 ALA B 205 ALA^? 25.02 O1 SO4 B 243 B 148 HIS B 229 HIS^? 22.78 O1 SO4 B 243 B 163 ASP B 201 ASP.? 28.94 O1 SO4 B 243 coo -33.97 19.78 54.18 -33.40 20.11 52.82 -2.77 14.78 -2.82 -1.68 13.76 -3.29 coo -33.17 20.01 48.16 -34.95 19.37 49.06 0.17 20.57 -3.28 -0.12 19.82 -5.21 coo -39.82 16.62 48.85 -38.59 18.24 48.48 -6.53 20.97 -8.85 -5.67 22.23 -10.32 ULMN 3 1qol_c01 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 4 3 # 4 B 51 ALA B 213 ALA^? 9.77 O1 SO4 B 243 B 148 HIS B 180 HIS^? 17.04 O1 SO4 B 243 B 163 ASP B 218 ASP~? 20.31 O1 SO4 B 243 coo -33.97 19.78 54.18 -33.40 20.11 52.82 -0.45 17.94 22.18 -0.36 19.49 22.01 coo -33.17 20.01 48.16 -34.95 19.37 49.06 3.74 13.87 25.77 2.21 13.26 27.09 coo -39.82 16.62 48.85 -38.59 18.24 48.48 -1.00 11.19 29.58 -0.84 10.48 27.56 1qol_c01 source 1qol PROTEASE (NONSTRUCTURAL PROTEIN P20A) : 4 hits 1qol_c01 naa= 3 ULMN 3 1qol_c02 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 # 1 C 51 ALA A 205 ALA^? 24.68 O3 SO4 A 243 C 148 HIS A 229 HIS^? 22.39 O3 SO4 A 243 C 163 ASP A 201 ASP.? 28.67 O3 SO4 A 243 coo -26.36 -19.12 21.15 -25.71 -19.49 22.47 1.77 7.85 -5.50 0.81 8.85 -4.71 coo -25.01 -20.21 26.78 -26.91 -20.55 25.93 -0.05 2.05 -3.08 -1.62 2.78 -4.27 coo -32.17 -20.34 27.36 -30.15 -20.93 27.54 -1.72 1.66 -11.39 -3.36 0.47 -11.68 ULMN 3 1qol_c02 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 2 3 # 2 C 51 ALA A 213 ALA^? 10.00 O4 SO4 A 243 C 148 HIS A 180 HIS^? 16.73 O4 SO4 A 243 C 163 ASP A 218 ASP~? 20.27 O4 SO4 A 243 coo -26.36 -19.12 21.15 -25.71 -19.49 22.47 22.60 4.81 8.44 22.43 3.32 8.50 coo -25.01 -20.21 26.78 -26.91 -20.55 25.93 23.63 8.86 13.89 25.45 9.53 13.13 coo -32.17 -20.34 27.36 -30.15 -20.93 27.54 29.47 11.44 11.56 27.66 12.20 10.67 ULMN 3 1qol_c02 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 3 3 # 3 C 51 ALA B 205 ALA^? 25.02 O1 SO4 B 243 C 148 HIS B 229 HIS^? 22.78 O1 SO4 B 243 C 163 ASP B 201 ASP.? 28.94 O1 SO4 B 243 coo -26.36 -19.12 21.15 -25.71 -19.49 22.47 -2.77 14.78 -2.82 -1.68 13.76 -3.29 coo -25.01 -20.21 26.78 -26.91 -20.55 25.93 0.17 20.57 -3.28 -0.12 19.82 -5.21 coo -32.17 -20.34 27.36 -30.15 -20.93 27.54 -6.53 20.97 -8.85 -5.67 22.23 -10.32 ULMN 3 1qol_c02 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 4 3 # 4 C 51 ALA B 213 ALA^? 9.77 O1 SO4 B 243 C 148 HIS B 180 HIS^? 17.04 O1 SO4 B 243 C 163 ASP B 218 ASP~? 20.31 O1 SO4 B 243 coo -26.36 -19.12 21.15 -25.71 -19.49 22.47 -0.45 17.94 22.18 -0.36 19.49 22.01 coo -25.01 -20.21 26.78 -26.91 -20.55 25.93 3.74 13.87 25.77 2.21 13.26 27.09 coo -32.17 -20.34 27.36 -30.15 -20.93 27.54 -1.00 11.19 29.58 -0.84 10.48 27.56 1qol_c02 source 1qol PROTEASE (NONSTRUCTURAL PROTEIN P20A) : 4 hits 1qol_c02 naa= 3 ULMN 3 1qol_c03 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 # 1 D 51 ALA A 205 ALA^? 24.68 O3 SO4 A 243 D 148 HIS A 229 HIS^? 22.39 O3 SO4 A 243 D 163 ASP A 201 ASP.? 28.67 O3 SO4 A 243 coo -6.15 -19.18 55.49 -6.70 -19.60 54.15 1.77 7.85 -5.50 0.81 8.85 -4.71 coo -7.62 -20.32 49.70 -5.89 -20.86 50.74 -0.05 2.05 -3.08 -1.62 2.78 -4.27 coo -0.41 -20.05 49.27 -2.21 -21.16 49.24 -1.72 1.66 -11.39 -3.36 0.47 -11.68 ULMN 3 1qol_c03 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 2 3 # 2 D 51 ALA A 213 ALA^? 10.00 O4 SO4 A 243 D 148 HIS A 180 HIS^? 16.73 O4 SO4 A 243 D 163 ASP A 218 ASP~? 20.27 O4 SO4 A 243 coo -6.15 -19.18 55.49 -6.70 -19.60 54.15 22.60 4.81 8.44 22.43 3.32 8.50 coo -7.62 -20.32 49.70 -5.89 -20.86 50.74 23.63 8.86 13.89 25.45 9.53 13.13 coo -0.41 -20.05 49.27 -2.21 -21.16 49.24 29.47 11.44 11.56 27.66 12.20 10.67 ULMN 3 1qol_c03 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 3 3 # 3 D 51 ALA B 205 ALA^? 25.02 O1 SO4 B 243 D 148 HIS B 229 HIS^? 22.78 O1 SO4 B 243 D 163 ASP B 201 ASP.? 28.94 O1 SO4 B 243 coo -6.15 -19.18 55.49 -6.70 -19.60 54.15 -2.77 14.78 -2.82 -1.68 13.76 -3.29 coo -7.62 -20.32 49.70 -5.89 -20.86 50.74 0.17 20.57 -3.28 -0.12 19.82 -5.21 coo -0.41 -20.05 49.27 -2.21 -21.16 49.24 -6.53 20.97 -8.85 -5.67 22.23 -10.32 ULMN 3 1qol_c03 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 4 3 # 4 D 51 ALA B 213 ALA^? 9.77 O1 SO4 B 243 D 148 HIS B 180 HIS^? 17.04 O1 SO4 B 243 D 163 ASP B 218 ASP~? 20.31 O1 SO4 B 243 coo -6.15 -19.18 55.49 -6.70 -19.60 54.15 -0.45 17.94 22.18 -0.36 19.49 22.01 coo -7.62 -20.32 49.70 -5.89 -20.86 50.74 3.74 13.87 25.77 2.21 13.26 27.09 coo -0.41 -20.05 49.27 -2.21 -21.16 49.24 -1.00 11.19 29.58 -0.84 10.48 27.56 1qol_c03 source 1qol PROTEASE (NONSTRUCTURAL PROTEIN P20A) : 4 hits 1qol_c03 naa= 3 ULMN 3 1qol_c04 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 # 1 E 51 ALA A 205 ALA^? 24.68 O3 SO4 A 243 E 148 HIS A 229 HIS^? 22.39 O3 SO4 A 243 E 163 ASP A 201 ASP.? 28.67 O3 SO4 A 243 coo 5.48 -16.06 -47.92 6.03 -15.45 -46.65 1.77 7.85 -5.50 0.81 8.85 -4.71 coo 5.81 -16.05 -42.05 5.54 -17.84 -43.11 -0.05 2.05 -3.08 -1.62 2.78 -4.27 coo 2.75 -22.21 -43.08 4.67 -21.31 -42.96 -1.72 1.66 -11.39 -3.36 0.47 -11.68 ULMN 3 1qol_c04 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 2 3 # 2 E 51 ALA A 213 ALA^? 10.00 O4 SO4 A 243 E 148 HIS A 180 HIS^? 16.73 O4 SO4 A 243 E 163 ASP A 218 ASP~? 20.27 O4 SO4 A 243 coo 5.48 -16.06 -47.92 6.03 -15.45 -46.65 22.60 4.81 8.44 22.43 3.32 8.50 coo 5.81 -16.05 -42.05 5.54 -17.84 -43.11 23.63 8.86 13.89 25.45 9.53 13.13 coo 2.75 -22.21 -43.08 4.67 -21.31 -42.96 29.47 11.44 11.56 27.66 12.20 10.67 ULMN 3 1qol_c04 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 3 3 # 3 E 51 ALA B 161 ALA.? 10.66 O3 SO4 B 243 E 148 HIS B 106 HIS^? 13.01 O3 SO4 B 243 E 163 ASP B 157 ASP~? 15.61 O3 SO4 B 243 coo 5.48 -16.06 -47.92 6.03 -15.45 -46.65 -5.41 37.41 16.11 -5.31 38.82 16.75 coo 5.81 -16.05 -42.05 5.54 -17.84 -43.11 -11.40 33.04 16.07 -11.74 35.05 16.56 coo 2.75 -22.21 -43.08 4.67 -21.31 -42.96 -12.32 32.41 21.01 -13.75 33.02 22.44 ULMN 3 1qol_c04 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 4 3 # 4 E 51 ALA B 205 ALA^? 25.02 O1 SO4 B 243 E 148 HIS B 229 HIS^? 22.78 O1 SO4 B 243 E 163 ASP B 201 ASP.? 28.94 O1 SO4 B 243 coo 5.48 -16.06 -47.92 6.03 -15.45 -46.65 -2.77 14.78 -2.82 -1.68 13.76 -3.29 coo 5.81 -16.05 -42.05 5.54 -17.84 -43.11 0.17 20.57 -3.28 -0.12 19.82 -5.21 coo 2.75 -22.21 -43.08 4.67 -21.31 -42.96 -6.53 20.97 -8.85 -5.67 22.23 -10.32 ULMN 3 1qol_c04 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 5 3 # 5 E 51 ALA B 213 ALA^? 9.77 O1 SO4 B 243 E 148 HIS B 180 HIS^? 17.04 O1 SO4 B 243 E 163 ASP B 218 ASP~? 20.31 O1 SO4 B 243 coo 5.48 -16.06 -47.92 6.03 -15.45 -46.65 -0.45 17.94 22.18 -0.36 19.49 22.01 coo 5.81 -16.05 -42.05 5.54 -17.84 -43.11 3.74 13.87 25.77 2.21 13.26 27.09 coo 2.75 -22.21 -43.08 4.67 -21.31 -42.96 -1.00 11.19 29.58 -0.84 10.48 27.56 1qol_c04 source 1qol PROTEASE (NONSTRUCTURAL PROTEIN P20A) : 5 hits 1qol_c04 naa= 3 ULMN 3 1qol_c05 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 # 1 F 51 ALA A 205 ALA^? 24.68 O3 SO4 A 243 F 148 HIS A 229 HIS^? 22.39 O3 SO4 A 243 F 163 ASP A 201 ASP.? 28.67 O3 SO4 A 243 coo 5.33 15.59 -14.28 5.80 15.15 -15.64 1.77 7.85 -5.50 0.81 8.85 -4.71 coo 5.79 15.50 -20.13 5.50 17.28 -19.05 -0.05 2.05 -3.08 -1.62 2.78 -4.27 coo 2.42 22.00 -18.97 4.23 20.92 -19.18 -1.72 1.66 -11.39 -3.36 0.47 -11.68 ULMN 3 1qol_c05 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 2 3 # 2 F 51 ALA A 213 ALA^? 10.00 O4 SO4 A 243 F 148 HIS A 180 HIS^? 16.73 O4 SO4 A 243 F 163 ASP A 218 ASP~? 20.27 O4 SO4 A 243 coo 5.33 15.59 -14.28 5.80 15.15 -15.64 22.60 4.81 8.44 22.43 3.32 8.50 coo 5.79 15.50 -20.13 5.50 17.28 -19.05 23.63 8.86 13.89 25.45 9.53 13.13 coo 2.42 22.00 -18.97 4.23 20.92 -19.18 29.47 11.44 11.56 27.66 12.20 10.67 ULMN 3 1qol_c05 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 3 3 # 3 F 51 ALA B 205 ALA^? 25.02 O1 SO4 B 243 F 148 HIS B 229 HIS^? 22.78 O1 SO4 B 243 F 163 ASP B 201 ASP.? 28.94 O1 SO4 B 243 coo 5.33 15.59 -14.28 5.80 15.15 -15.64 -2.77 14.78 -2.82 -1.68 13.76 -3.29 coo 5.79 15.50 -20.13 5.50 17.28 -19.05 0.17 20.57 -3.28 -0.12 19.82 -5.21 coo 2.42 22.00 -18.97 4.23 20.92 -19.18 -6.53 20.97 -8.85 -5.67 22.23 -10.32 ULMN 3 1qol_c05 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 4 3 # 4 F 51 ALA B 213 ALA^? 9.77 O1 SO4 B 243 F 148 HIS B 180 HIS^? 17.04 O1 SO4 B 243 F 163 ASP B 218 ASP~? 20.31 O1 SO4 B 243 coo 5.33 15.59 -14.28 5.80 15.15 -15.64 -0.45 17.94 22.18 -0.36 19.49 22.01 coo 5.79 15.50 -20.13 5.50 17.28 -19.05 3.74 13.87 25.77 2.21 13.26 27.09 coo 2.42 22.00 -18.97 4.23 20.92 -19.18 -1.00 11.19 29.58 -0.84 10.48 27.56 1qol_c05 source 1qol PROTEASE (NONSTRUCTURAL PROTEIN P20A) : 4 hits 1qol_c05 naa= 3 ULMN 3 1qol_c06 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 # 1 G 51 ALA A 205 ALA^? 24.68 O3 SO4 A 243 G 148 HIS A 229 HIS^? 22.39 O3 SO4 A 243 G 163 ASP A 201 ASP.? 28.67 O3 SO4 A 243 coo -33.28 -11.88 -14.46 -33.66 -11.38 -15.87 1.77 7.85 -5.50 0.81 8.85 -4.71 coo -34.88 -9.77 -20.15 -35.41 -11.60 -19.26 -0.05 2.05 -3.08 -1.62 2.78 -4.27 coo -34.41 -16.73 -21.11 -35.66 -15.03 -20.96 -1.72 1.66 -11.39 -3.36 0.47 -11.68 ULMN 3 1qol_c06 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 2 3 # 2 G 51 ALA A 213 ALA^? 10.00 O4 SO4 A 243 G 148 HIS A 180 HIS^? 16.73 O4 SO4 A 243 G 163 ASP A 218 ASP~? 20.27 O4 SO4 A 243 coo -33.28 -11.88 -14.46 -33.66 -11.38 -15.87 22.60 4.81 8.44 22.43 3.32 8.50 coo -34.88 -9.77 -20.15 -35.41 -11.60 -19.26 23.63 8.86 13.89 25.45 9.53 13.13 coo -34.41 -16.73 -21.11 -35.66 -15.03 -20.96 29.47 11.44 11.56 27.66 12.20 10.67 ULMN 3 1qol_c06 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 3 3 # 3 G 51 ALA B 161 ALA.? 10.66 O3 SO4 B 243 G 148 HIS B 106 HIS^? 13.01 O3 SO4 B 243 G 163 ASP B 157 ASP~? 15.61 O3 SO4 B 243 coo -33.28 -11.88 -14.46 -33.66 -11.38 -15.87 -5.41 37.41 16.11 -5.31 38.82 16.75 coo -34.88 -9.77 -20.15 -35.41 -11.60 -19.26 -11.40 33.04 16.07 -11.74 35.05 16.56 coo -34.41 -16.73 -21.11 -35.66 -15.03 -20.96 -12.32 32.41 21.01 -13.75 33.02 22.44 ULMN 3 1qol_c06 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 4 3 # 4 G 51 ALA B 205 ALA^? 25.02 O1 SO4 B 243 G 148 HIS B 229 HIS^? 22.78 O1 SO4 B 243 G 163 ASP B 201 ASP.? 28.94 O1 SO4 B 243 coo -33.28 -11.88 -14.46 -33.66 -11.38 -15.87 -2.77 14.78 -2.82 -1.68 13.76 -3.29 coo -34.88 -9.77 -20.15 -35.41 -11.60 -19.26 0.17 20.57 -3.28 -0.12 19.82 -5.21 coo -34.41 -16.73 -21.11 -35.66 -15.03 -20.96 -6.53 20.97 -8.85 -5.67 22.23 -10.32 ULMN 3 1qol_c06 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 5 3 # 5 G 51 ALA B 213 ALA^? 9.77 O1 SO4 B 243 G 148 HIS B 180 HIS^? 17.04 O1 SO4 B 243 G 163 ASP B 218 ASP~? 20.31 O1 SO4 B 243 coo -33.28 -11.88 -14.46 -33.66 -11.38 -15.87 -0.45 17.94 22.18 -0.36 19.49 22.01 coo -34.88 -9.77 -20.15 -35.41 -11.60 -19.26 3.74 13.87 25.77 2.21 13.26 27.09 coo -34.41 -16.73 -21.11 -35.66 -15.03 -20.96 -1.00 11.19 29.58 -0.84 10.48 27.56 1qol_c06 source 1qol PROTEASE (NONSTRUCTURAL PROTEIN P20A) : 5 hits 1qol_c06 naa= 3 ULMN 3 1qol_c07 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 # 1 H 51 ALA A 205 ALA^? 24.68 O3 SO4 A 243 H 148 HIS A 229 HIS^? 22.39 O3 SO4 A 243 H 163 ASP A 201 ASP.? 28.67 O3 SO4 A 243 coo -33.97 9.40 -47.46 -34.31 8.55 -46.23 1.77 7.85 -5.50 0.81 8.85 -4.71 coo -35.28 7.86 -41.76 -36.20 9.51 -42.67 -0.05 2.05 -3.08 -1.62 2.78 -4.27 coo -35.25 15.19 -41.05 -35.81 13.11 -41.05 -1.72 1.66 -11.39 -3.36 0.47 -11.68 ULMN 3 1qol_c07 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 2 3 # 2 H 51 ALA A 213 ALA^? 10.00 O4 SO4 A 243 H 148 HIS A 180 HIS^? 16.73 O4 SO4 A 243 H 163 ASP A 218 ASP~? 20.27 O4 SO4 A 243 coo -33.97 9.40 -47.46 -34.31 8.55 -46.23 22.60 4.81 8.44 22.43 3.32 8.50 coo -35.28 7.86 -41.76 -36.20 9.51 -42.67 23.63 8.86 13.89 25.45 9.53 13.13 coo -35.25 15.19 -41.05 -35.81 13.11 -41.05 29.47 11.44 11.56 27.66 12.20 10.67 ULMN 3 1qol_c07 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 3 3 # 3 H 51 ALA B 205 ALA^? 25.02 O1 SO4 B 243 H 148 HIS B 229 HIS^? 22.78 O1 SO4 B 243 H 163 ASP B 201 ASP.? 28.94 O1 SO4 B 243 coo -33.97 9.40 -47.46 -34.31 8.55 -46.23 -2.77 14.78 -2.82 -1.68 13.76 -3.29 coo -35.28 7.86 -41.76 -36.20 9.51 -42.67 0.17 20.57 -3.28 -0.12 19.82 -5.21 coo -35.25 15.19 -41.05 -35.81 13.11 -41.05 -6.53 20.97 -8.85 -5.67 22.23 -10.32 ULMN 3 1qol_c07 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 4 3 # 4 H 51 ALA B 213 ALA^? 9.77 O1 SO4 B 243 H 148 HIS B 180 HIS^? 17.04 O1 SO4 B 243 H 163 ASP B 218 ASP~? 20.31 O1 SO4 B 243 coo -33.97 9.40 -47.46 -34.31 8.55 -46.23 -0.45 17.94 22.18 -0.36 19.49 22.01 coo -35.28 7.86 -41.76 -36.20 9.51 -42.67 3.74 13.87 25.77 2.21 13.26 27.09 coo -35.25 15.19 -41.05 -35.81 13.11 -41.05 -1.00 11.19 29.58 -0.84 10.48 27.56 1qol_c07 source 1qol PROTEASE (NONSTRUCTURAL PROTEIN P20A) : 4 hits 1qol_c07 naa= 3 ULMN 3 1qrz_c12 PLASMINOGEN user 1 3 # 1 A 603 HIS A 101 HIS.? 5.49 O3 SO4 A 243 A 646 ASP A 162 ASP.? 11.51 O1 SO4 A 243 A 741 SER A 165 SER~? -3.54 O4 SO4 A 243s coo -20.72 2.99 34.37 -21.94 1.82 35.61 12.44 -8.38 4.91 13.10 -6.40 5.14 coo -18.83 7.68 26.86 -20.89 7.78 26.56 14.78 -15.75 1.96 14.18 -15.13 0.01 coo -16.10 -1.48 32.49 -17.38 0.37 33.40 19.07 -9.91 9.21 19.35 -8.74 11.27 ULMN 3 1qrz_c12 PLASMINOGEN user 2 3 # 2 A 603 HIS A 106 HIS^? 13.08 O1 SO4 A 243 A 646 ASP A 162 ASP.? 11.51 O1 SO4 A 243 A 741 SER A 105 SER^? 14.75 O1 SO4 A 243 coo -20.72 2.99 34.37 -21.94 1.82 35.61 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo -18.83 7.68 26.86 -20.89 7.78 26.56 14.78 -15.75 1.96 14.18 -15.13 0.01 coo -16.10 -1.48 32.49 -17.38 0.37 33.40 17.97 -9.58 -6.03 17.57 -7.57 -7.37 ULMN 3 1qrz_c12 PLASMINOGEN user 3 3 # 3 A 603 HIS B 101 HIS.? 5.53 O4 SO4 B 243 A 646 ASP B 162 ASP.? 11.47 O3 SO4 B 243 A 741 SER B 165 SER~? -3.42 O2 SO4 B 243s coo -20.72 2.99 34.37 -21.94 1.82 35.61 1.10 31.39 11.62 1.04 29.37 12.19 coo -18.83 7.68 26.86 -20.89 7.78 26.56 -2.91 38.69 12.19 -3.85 37.85 10.43 coo -16.10 -1.48 32.49 -17.38 0.37 33.40 1.56 32.88 19.47 3.32 31.88 20.79 ULMN 3 1qrz_c12 PLASMINOGEN user 4 3 # 4 A 603 HIS B 106 HIS^? 13.01 O3 SO4 B 243 A 646 ASP B 162 ASP.? 11.47 O3 SO4 B 243 A 741 SER B 105 SER^? 14.66 O3 SO4 B 243 coo -20.72 2.99 34.37 -21.94 1.82 35.61 -11.40 33.04 16.07 -11.74 35.05 16.56 coo -18.83 7.68 26.86 -20.89 7.78 26.56 -2.91 38.69 12.19 -3.85 37.85 10.43 coo -16.10 -1.48 32.49 -17.38 0.37 33.40 -11.13 32.24 11.11 -11.87 30.19 10.06 1qrz_c12 source 1qrz PLASMINOGEN : 4 hits 1qrz_c12 naa= 3 ULMN 3 1qrz_c13 PLASMINOGEN user 1 3 # 1 B 603 HIS A 101 HIS.? 5.49 O3 SO4 A 243 B 646 ASP A 162 ASP.? 11.51 O1 SO4 A 243 B 741 SER A 165 SER~? -3.54 O4 SO4 A 243s coo -48.36 3.10 -3.91 -49.78 2.04 -2.80 12.44 -8.38 4.91 13.10 -6.40 5.14 coo -46.10 7.71 -10.96 -48.16 8.01 -11.35 14.78 -15.75 1.96 14.18 -15.13 0.01 coo -43.75 -1.60 -6.12 -44.85 0.33 -5.15 19.07 -9.91 9.21 19.35 -8.74 11.27 ULMN 3 1qrz_c13 PLASMINOGEN user 2 3 # 2 B 603 HIS B 101 HIS.? 5.53 O4 SO4 B 243 B 646 ASP B 162 ASP.? 11.47 O3 SO4 B 243 B 741 SER B 165 SER~? -3.42 O2 SO4 B 243s coo -48.36 3.10 -3.91 -49.78 2.04 -2.80 1.10 31.39 11.62 1.04 29.37 12.19 coo -46.10 7.71 -10.96 -48.16 8.01 -11.35 -2.91 38.69 12.19 -3.85 37.85 10.43 coo -43.75 -1.60 -6.12 -44.85 0.33 -5.15 1.56 32.88 19.47 3.32 31.88 20.79 1qrz_c13 source 1qrz PLASMINOGEN : 2 hits 1qrz_c13 naa= 3 ULMN 3 1qrz_c14 PLASMINOGEN user 1 3 # 1 C 603 HIS A 101 HIS.? 5.49 O3 SO4 A 243 C 646 ASP A 162 ASP.? 11.51 O1 SO4 A 243 C 741 SER A 165 SER~? -3.54 O4 SO4 A 243s coo 1.49 -9.23 8.48 -0.19 -8.40 9.43 12.44 -8.38 4.91 13.10 -6.40 5.14 coo 9.05 -13.82 8.74 8.78 -14.02 10.85 14.78 -15.75 1.96 14.18 -15.13 0.01 coo 4.71 -4.57 4.71 3.58 -6.49 5.69 19.07 -9.91 9.21 19.35 -8.74 11.27 ULMN 3 1qrz_c14 PLASMINOGEN user 2 3 # 2 C 603 HIS B 101 HIS.? 5.53 O4 SO4 B 243 C 646 ASP B 162 ASP.? 11.47 O3 SO4 B 243 C 741 SER B 165 SER~? -3.42 O2 SO4 B 243s coo 1.49 -9.23 8.48 -0.19 -8.40 9.43 1.10 31.39 11.62 1.04 29.37 12.19 coo 9.05 -13.82 8.74 8.78 -14.02 10.85 -2.91 38.69 12.19 -3.85 37.85 10.43 coo 4.71 -4.57 4.71 3.58 -6.49 5.69 1.56 32.88 19.47 3.32 31.88 20.79 1qrz_c14 source 1qrz PLASMINOGEN : 2 hits 1qrz_c14 naa= 3 ULMN 3 1qrz_c15 PLASMINOGEN user 1 3 # 1 D 603 HIS A 101 HIS.? 5.49 O3 SO4 A 243 D 646 ASP A 162 ASP.? 11.51 O1 SO4 A 243 D 741 SER A 165 SER~? -3.54 O4 SO4 A 243s coo -52.57 -8.94 46.70 -54.06 -7.64 47.39 12.44 -8.38 4.91 13.10 -6.40 5.14 coo -45.30 -14.04 46.94 -45.65 -14.15 49.00 14.78 -15.75 1.96 14.18 -15.13 0.01 coo -49.16 -4.56 43.16 -50.44 -6.45 43.96 19.07 -9.91 9.21 19.35 -8.74 11.27 ULMN 3 1qrz_c15 PLASMINOGEN user 2 3 # 2 D 603 HIS B 101 HIS.? 5.53 O4 SO4 B 243 D 646 ASP B 162 ASP.? 11.47 O3 SO4 B 243 D 741 SER B 165 SER~? -3.42 O2 SO4 B 243s coo -52.57 -8.94 46.70 -54.06 -7.64 47.39 1.10 31.39 11.62 1.04 29.37 12.19 coo -45.30 -14.04 46.94 -45.65 -14.15 49.00 -2.91 38.69 12.19 -3.85 37.85 10.43 coo -49.16 -4.56 43.16 -50.44 -6.45 43.96 1.56 32.88 19.47 3.32 31.88 20.79 1qrz_c15 source 1qrz PLASMINOGEN : 2 hits 1qrz_c15 naa= 3 ULMN 3 1r4f_c00 IAG-NUCLEOSIDE HYDROLASE user 1 3 # 1 A 10 ASP A 204 ASP.? 25.99 O3 SO4 A 243 A 186 ASN A 231 ASN.? 25.70 O3 SO4 A 243 A 260 ALA B 205 ALA^? 25.02 O1 SO4 B 243 coo 11.81 33.10 11.71 13.07 31.45 11.40 0.25 4.29 -7.71 -1.48 3.39 -8.50 coo 11.43 26.53 7.41 13.01 27.56 8.43 -4.01 3.19 -0.61 -4.89 4.35 -2.16 coo 21.53 26.33 6.96 20.26 25.69 7.52 -2.77 14.78 -2.82 -1.68 13.76 -3.29 ULMN 3 1r4f_c00 IAG-NUCLEOSIDE HYDROLASE user 2 3 # 2 A 10 ASP B 204 ASP.? 26.31 O1 SO4 B 243 A 186 ASN B 231 ASN.? 26.15 O1 SO4 B 243 A 260 ALA A 205 ALA^? 24.68 O3 SO4 A 243 coo 11.81 33.10 11.71 13.07 31.45 11.40 -4.03 18.39 -5.24 -3.87 19.29 -7.14 coo 11.43 26.53 7.41 13.01 27.56 8.43 4.19 19.46 -5.53 3.38 18.27 -7.08 coo 21.53 26.33 6.96 20.26 25.69 7.52 1.77 7.85 -5.50 0.81 8.85 -4.71 1r4f_c00 source 1r4f IAG-NUCLEOSIDE HYDROLASE : 2 hits 1r4f_c00 naa= 3 ULMN 3 1rbn_c01 RIBONUCLEASE A (E.C.3.1.27.5) DERIVAuser 1 3 # 1 A 12 HIS A 102 HIS^? 13.43 O1 SO4 A 243 A 41 LYS A 196 LYS~? 24.16 O1 SO4 A 243 A 119 HIS A 101 HIS.? 5.49 O3 SO4 A 243 coo 27.25 41.76 -6.97 28.67 40.32 -7.25 10.89 -12.56 -1.72 11.39 -13.56 -3.50 coo 35.53 36.24 -0.58 31.10 37.46 -4.56 5.42 -4.88 -10.39 6.31 -8.43 -13.80 coo 26.49 34.97 -12.73 26.25 33.07 -12.07 12.44 -8.38 4.91 13.10 -6.40 5.14 1rbn_c01 source 1rbn RIBONUCLEASE A (E.C.3.1.27.5) DERIVATIVE II CO: 1 hits 1rbn_c01 naa= 3 ULMN 3 1req_c10 METHYLMALONYL-COA MUTASE user 1 3 # 1 A 608 ASP A 107 ASP^? 18.51 O1 SO4 A 243 A 610 HIS A 106 HIS^? 13.08 O1 SO4 A 243 A 661 HIS A 147 HIS^? 14.45 O3 SO4 A 243 coo 75.99 81.56 1.86 73.91 81.34 2.28 23.22 -6.70 -8.91 22.86 -8.00 -10.43 coo 71.04 78.84 0.46 71.54 76.90 1.02 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo 75.40 81.38 12.06 74.88 79.42 12.63 22.73 1.14 -3.20 21.31 1.29 -4.76 ULMN 3 1req_c10 METHYLMALONYL-COA MUTASE user 2 3 # 2 A 608 ASP A 157 ASP~? 15.53 O1 SO4 A 243 A 610 HIS A 106 HIS^? 13.08 O1 SO4 A 243 A 661 HIS A 147 HIS^? 14.45 O3 SO4 A 243 coo 75.99 81.56 1.86 73.91 81.34 2.28 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo 71.04 78.84 0.46 71.54 76.90 1.02 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo 75.40 81.38 12.06 74.88 79.42 12.63 22.73 1.14 -3.20 21.31 1.29 -4.76 ULMN 3 1req_c10 METHYLMALONYL-COA MUTASE user 3 3 # 3 A 608 ASP A 162 ASP.? 11.51 O1 SO4 A 243 A 610 HIS A 102 HIS^? 13.43 O1 SO4 A 243 A 661 HIS A 106 HIS^? 13.08 O1 SO4 A 243 coo 75.99 81.56 1.86 73.91 81.34 2.28 14.78 -15.75 1.96 14.18 -15.13 0.01 coo 71.04 78.84 0.46 71.54 76.90 1.02 10.89 -12.56 -1.72 11.39 -13.56 -3.50 coo 75.40 81.38 12.06 74.88 79.42 12.63 22.50 -10.50 -3.88 23.13 -12.51 -3.91 ULMN 3 1req_c10 METHYLMALONYL-COA MUTASE user 4 3 # 4 A 608 ASP B 107 ASP^? 18.02 O3 SO4 B 243 A 610 HIS B 106 HIS^? 13.01 O3 SO4 B 243 A 661 HIS B 147 HIS^? 14.18 O1 SO4 B 243 coo 75.99 81.56 1.86 73.91 81.34 2.28 -16.27 29.29 14.31 -16.58 30.52 12.63 coo 71.04 78.84 0.46 71.54 76.90 1.02 -11.40 33.04 16.07 -11.74 35.05 16.56 coo 75.40 81.38 12.06 74.88 79.42 12.63 -10.85 21.55 16.70 -11.51 21.37 14.71 ULMN 3 1req_c10 METHYLMALONYL-COA MUTASE user 5 3 # 5 A 608 ASP B 157 ASP~? 15.61 O3 SO4 B 243 A 610 HIS B 106 HIS^? 13.01 O3 SO4 B 243 A 661 HIS B 147 HIS^? 14.18 O1 SO4 B 243 coo 75.99 81.56 1.86 73.91 81.34 2.28 -12.32 32.41 21.01 -13.75 33.02 22.44 coo 71.04 78.84 0.46 71.54 76.90 1.02 -11.40 33.04 16.07 -11.74 35.05 16.56 coo 75.40 81.38 12.06 74.88 79.42 12.63 -10.85 21.55 16.70 -11.51 21.37 14.71 ULMN 3 1req_c10 METHYLMALONYL-COA MUTASE user 6 3 # 6 A 608 ASP B 162 ASP.? 11.47 O3 SO4 B 243 A 610 HIS B 102 HIS^? 13.40 O3 SO4 B 243 A 661 HIS B 106 HIS^? 13.01 O3 SO4 B 243 coo 75.99 81.56 1.86 73.91 81.34 2.28 -2.91 38.69 12.19 -3.85 37.85 10.43 coo 71.04 78.84 0.46 71.54 76.90 1.02 -4.13 35.26 6.99 -5.90 36.34 6.69 coo 75.40 81.38 12.06 74.88 79.42 12.63 -11.40 33.04 16.07 -11.74 35.05 16.56 1req_c10 source 1req METHYLMALONYL-COA MUTASE : 6 hits 1req_c10 naa= 3 ULMN 3 1req_c11 METHYLMALONYL-COA MUTASE user 1 3 # 1 C 608 ASP A 107 ASP^? 18.51 O1 SO4 A 243 C 610 HIS A 106 HIS^? 13.08 O1 SO4 A 243 C 661 HIS A 147 HIS^? 14.45 O3 SO4 A 243 coo -17.65 80.52 58.00 -16.23 80.79 56.41 23.22 -6.70 -8.91 22.86 -8.00 -10.43 coo -16.56 83.18 53.03 -16.33 85.18 53.60 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo -8.38 80.78 62.24 -7.53 82.67 62.02 22.73 1.14 -3.20 21.31 1.29 -4.76 ULMN 3 1req_c11 METHYLMALONYL-COA MUTASE user 2 3 # 2 C 608 ASP A 157 ASP~? 15.53 O1 SO4 A 243 C 610 HIS A 106 HIS^? 13.08 O1 SO4 A 243 C 661 HIS A 147 HIS^? 14.45 O3 SO4 A 243 coo -17.65 80.52 58.00 -16.23 80.79 56.41 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo -16.56 83.18 53.03 -16.33 85.18 53.60 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo -8.38 80.78 62.24 -7.53 82.67 62.02 22.73 1.14 -3.20 21.31 1.29 -4.76 ULMN 3 1req_c11 METHYLMALONYL-COA MUTASE user 3 3 # 3 C 608 ASP A 162 ASP.? 11.51 O1 SO4 A 243 C 610 HIS A 102 HIS^? 13.43 O1 SO4 A 243 C 661 HIS A 106 HIS^? 13.08 O1 SO4 A 243 coo -17.65 80.52 58.00 -16.23 80.79 56.41 14.78 -15.75 1.96 14.18 -15.13 0.01 coo -16.56 83.18 53.03 -16.33 85.18 53.60 10.89 -12.56 -1.72 11.39 -13.56 -3.50 coo -8.38 80.78 62.24 -7.53 82.67 62.02 22.50 -10.50 -3.88 23.13 -12.51 -3.91 ULMN 3 1req_c11 METHYLMALONYL-COA MUTASE user 4 3 # 4 C 608 ASP B 107 ASP^? 18.02 O3 SO4 B 243 C 610 HIS B 106 HIS^? 13.01 O3 SO4 B 243 C 661 HIS B 147 HIS^? 14.18 O1 SO4 B 243 coo -17.65 80.52 58.00 -16.23 80.79 56.41 -16.27 29.29 14.31 -16.58 30.52 12.63 coo -16.56 83.18 53.03 -16.33 85.18 53.60 -11.40 33.04 16.07 -11.74 35.05 16.56 coo -8.38 80.78 62.24 -7.53 82.67 62.02 -10.85 21.55 16.70 -11.51 21.37 14.71 ULMN 3 1req_c11 METHYLMALONYL-COA MUTASE user 5 3 # 5 C 608 ASP B 157 ASP~? 15.61 O3 SO4 B 243 C 610 HIS B 106 HIS^? 13.01 O3 SO4 B 243 C 661 HIS B 147 HIS^? 14.18 O1 SO4 B 243 coo -17.65 80.52 58.00 -16.23 80.79 56.41 -12.32 32.41 21.01 -13.75 33.02 22.44 coo -16.56 83.18 53.03 -16.33 85.18 53.60 -11.40 33.04 16.07 -11.74 35.05 16.56 coo -8.38 80.78 62.24 -7.53 82.67 62.02 -10.85 21.55 16.70 -11.51 21.37 14.71 ULMN 3 1req_c11 METHYLMALONYL-COA MUTASE user 6 3 # 6 C 608 ASP B 162 ASP.? 11.47 O3 SO4 B 243 C 610 HIS B 102 HIS^? 13.40 O3 SO4 B 243 C 661 HIS B 106 HIS^? 13.01 O3 SO4 B 243 coo -17.65 80.52 58.00 -16.23 80.79 56.41 -2.91 38.69 12.19 -3.85 37.85 10.43 coo -16.56 83.18 53.03 -16.33 85.18 53.60 -4.13 35.26 6.99 -5.90 36.34 6.69 coo -8.38 80.78 62.24 -7.53 82.67 62.02 -11.40 33.04 16.07 -11.74 35.05 16.56 1req_c11 source 1req METHYLMALONYL-COA MUTASE : 6 hits 1req_c11 naa= 3 ULMN 3 1rgq_c01 NS4A PEPTIDE user 1 3 # 1 B 60 HIS A 106 HIS^? 13.08 O1 SO4 A 243 B 84 ASP A 107 ASP^? 18.51 O1 SO4 A 243 B 140 GLY A 155 GLY~? 16.12 O1 SO4 A 243 coo 20.71 17.85 -18.47 19.91 19.62 -17.68 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo 23.40 21.01 -22.79 22.72 19.65 -21.32 23.22 -6.70 -8.91 22.86 -8.00 -10.43 coo 11.52 20.17 -13.15 11.93 20.87 -13.16 32.17 -9.95 0.50 31.84 -9.33 0.84 ULMN 3 1rgq_c01 NS4A PEPTIDE user 2 3 # 2 B 60 HIS B 106 HIS^? 13.01 O3 SO4 B 243 B 84 ASP B 107 ASP^? 18.02 O3 SO4 B 243 B 140 GLY B 155 GLY~? 16.11 O3 SO4 B 243 coo 20.71 17.85 -18.47 19.91 19.62 -17.68 -11.40 33.04 16.07 -11.74 35.05 16.56 coo 23.40 21.01 -22.79 22.72 19.65 -21.32 -16.27 29.29 14.31 -16.58 30.52 12.63 coo 11.52 20.17 -13.15 11.93 20.87 -13.16 -12.14 32.63 26.81 -11.73 31.99 26.60 ULMN 3 1rgq_c01 NS4A PEPTIDE user 3 3 # 3 B 60 HIS B 106 HIS^? 13.01 O3 SO4 B 243 B 84 ASP B 157 ASP~? 15.61 O3 SO4 B 243 B 140 GLY B 163 GLY.? 7.63 O3 SO4 B 243 coo 20.71 17.85 -18.47 19.91 19.62 -17.68 -11.40 33.04 16.07 -11.74 35.05 16.56 coo 23.40 21.01 -22.79 22.72 19.65 -21.32 -12.32 32.41 21.01 -13.75 33.02 22.44 coo 11.52 20.17 -13.15 11.93 20.87 -13.16 0.69 37.21 14.78 0.08 36.90 15.18 1rgq_c01 source 1rgq NS4A PEPTIDE : 3 hits 1rgq_c01 naa= 3 ULMN 3 1rne_c04 RENIN (ACTIVATED, GLYCOSYLATED, INHIuser 1 3 # 1 32 ASP A 107 ASP^? 18.51 O1 SO4 A 243 35 SER A 105 SER^? 14.75 O1 SO4 A 243 215 ASP A 157 ASP~? 15.53 O1 SO4 A 243 coo 11.85 17.24 72.81 11.09 15.37 72.36 23.22 -6.70 -8.91 22.86 -8.00 -10.43 coo 12.20 12.71 75.45 13.69 13.84 74.03 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo 5.22 15.03 71.43 7.19 14.88 70.83 27.16 -9.86 -2.28 29.16 -10.33 -2.80 ULMN 3 1rne_c04 RENIN (ACTIVATED, GLYCOSYLATED, INHIuser 2 3 # 2 32 ASP B 107 ASP^? 18.02 O3 SO4 B 243 35 SER B 105 SER^? 14.66 O3 SO4 B 243 215 ASP B 157 ASP~? 15.61 O3 SO4 B 243 coo 11.85 17.24 72.81 11.09 15.37 72.36 -16.27 29.29 14.31 -16.58 30.52 12.63 coo 12.20 12.71 75.45 13.69 13.84 74.03 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 5.22 15.03 71.43 7.19 14.88 70.83 -12.32 32.41 21.01 -13.75 33.02 22.44 1rne_c04 source 1rne RENIN (ACTIVATED, GLYCOSYLATED, INHIBITED) (E.: 2 hits 1rne_c04 naa= 3 ULMN 3 1roz_c00 DEOXYHYPUSINE SYNTHASE user 1 3 # 1 A 137 GLU A 85 GLU^? 18.44 O3 SO4 A 243 A 288 HIS A 167 HIS~? -3.76 O4 SO4 A 243s A 329 LYS A 171 LYS~? 11.57 O4 SO4 A 243 coo 29.27 18.78 14.99 27.16 18.62 14.76 -1.14 -2.38 7.04 -1.17 -2.16 4.90 coo 49.52 10.06 10.36 50.99 9.65 8.92 20.59 -3.79 11.26 20.06 -1.97 10.36 coo 57.80 12.92 13.83 53.77 8.42 12.15 27.37 -6.86 13.66 24.72 -6.49 19.13 ULMN 3 1roz_c00 DEOXYHYPUSINE SYNTHASE user 2 3 # 2 A 137 GLU A 193 GLU~? 18.22 O3 SO4 A 243 A 288 HIS A 167 HIS~? -3.76 O4 SO4 A 243s A 329 LYS A 171 LYS~? 11.57 O4 SO4 A 243 coo 29.27 18.78 14.99 27.16 18.62 14.76 11.64 -2.46 -10.15 13.74 -2.34 -9.81 coo 49.52 10.06 10.36 50.99 9.65 8.92 20.59 -3.79 11.26 20.06 -1.97 10.36 coo 57.80 12.92 13.83 53.77 8.42 12.15 27.37 -6.86 13.66 24.72 -6.49 19.13 ULMN 3 1roz_c00 DEOXYHYPUSINE SYNTHASE user 3 3 # 3 A 137 GLU A 194 GLU~? 19.96 O3 SO4 A 243 A 288 HIS A 167 HIS~? -3.76 O4 SO4 A 243s A 329 LYS A 171 LYS~? 11.57 O4 SO4 A 243 coo 29.27 18.78 14.99 27.16 18.62 14.76 8.83 1.58 -7.66 9.92 2.44 -9.22 coo 49.52 10.06 10.36 50.99 9.65 8.92 20.59 -3.79 11.26 20.06 -1.97 10.36 coo 57.80 12.92 13.83 53.77 8.42 12.15 27.37 -6.86 13.66 24.72 -6.49 19.13 ULMN 3 1roz_c00 DEOXYHYPUSINE SYNTHASE user 4 3 # 4 A 137 GLU B 85 GLU.? 16.99 O4 SO4 B 243 A 288 HIS B 167 HIS~? -3.98 O2 SO4 B 243s A 329 LYS B 171 LYS~? 11.43 O2 SO4 B 243 coo 29.27 18.78 14.99 27.16 18.62 14.76 9.76 23.94 2.05 8.62 25.57 1.44 coo 49.52 10.06 10.36 50.99 9.65 8.92 2.71 26.62 21.63 2.19 24.83 20.66 coo 57.80 12.92 13.83 53.77 8.42 12.15 1.64 29.57 28.97 7.88 29.77 29.01 ULMN 3 1roz_c00 DEOXYHYPUSINE SYNTHASE user 5 3 # 5 A 137 GLU B 193 GLU~? 18.43 O1 SO4 B 243 A 288 HIS B 167 HIS~? -3.98 O2 SO4 B 243s A 329 LYS B 171 LYS~? 11.43 O2 SO4 B 243 coo 29.27 18.78 14.99 27.16 18.62 14.76 -11.89 25.08 3.55 -12.49 24.58 5.53 coo 49.52 10.06 10.36 50.99 9.65 8.92 2.71 26.62 21.63 2.19 24.83 20.66 coo 57.80 12.92 13.83 53.77 8.42 12.15 1.64 29.57 28.97 7.88 29.77 29.01 ULMN 3 1roz_c00 DEOXYHYPUSINE SYNTHASE user 6 3 # 6 A 137 GLU B 194 GLU~? 20.15 O1 SO4 B 243 A 288 HIS B 167 HIS~? -3.98 O2 SO4 B 243s A 329 LYS B 171 LYS~? 11.43 O2 SO4 B 243 coo 29.27 18.78 14.99 27.16 18.62 14.76 -8.16 20.98 2.40 -10.14 20.22 2.52 coo 49.52 10.06 10.36 50.99 9.65 8.92 2.71 26.62 21.63 2.19 24.83 20.66 coo 57.80 12.92 13.83 53.77 8.42 12.15 1.64 29.57 28.97 7.88 29.77 29.01 1roz_c00 source 1roz DEOXYHYPUSINE SYNTHASE : 6 hits 1roz_c00 naa= 3 ULMN 3 1roz_c01 DEOXYHYPUSINE SYNTHASE user 1 3 # 1 B 137 GLU A 85 GLU^? 18.44 O3 SO4 A 243 B 288 HIS A 167 HIS~? -3.76 O4 SO4 A 243s B 329 LYS A 171 LYS~? 11.57 O4 SO4 A 243 coo 51.99 -1.20 48.77 51.89 -0.93 46.67 -1.14 -2.38 7.04 -1.17 -2.16 4.90 coo 31.44 -9.36 43.35 29.98 -10.83 43.65 20.59 -3.79 11.26 20.06 -1.97 10.36 coo 23.19 -4.89 44.25 27.28 -8.41 40.97 27.37 -6.86 13.66 24.72 -6.49 19.13 ULMN 3 1roz_c01 DEOXYHYPUSINE SYNTHASE user 2 3 # 2 B 137 GLU A 193 GLU~? 18.22 O3 SO4 A 243 B 288 HIS A 167 HIS~? -3.76 O4 SO4 A 243s B 329 LYS A 171 LYS~? 11.57 O4 SO4 A 243 coo 51.99 -1.20 48.77 51.89 -0.93 46.67 11.64 -2.46 -10.15 13.74 -2.34 -9.81 coo 31.44 -9.36 43.35 29.98 -10.83 43.65 20.59 -3.79 11.26 20.06 -1.97 10.36 coo 23.19 -4.89 44.25 27.28 -8.41 40.97 27.37 -6.86 13.66 24.72 -6.49 19.13 ULMN 3 1roz_c01 DEOXYHYPUSINE SYNTHASE user 3 3 # 3 B 137 GLU A 194 GLU~? 19.96 O3 SO4 A 243 B 288 HIS A 167 HIS~? -3.76 O4 SO4 A 243s B 329 LYS A 171 LYS~? 11.57 O4 SO4 A 243 coo 51.99 -1.20 48.77 51.89 -0.93 46.67 8.83 1.58 -7.66 9.92 2.44 -9.22 coo 31.44 -9.36 43.35 29.98 -10.83 43.65 20.59 -3.79 11.26 20.06 -1.97 10.36 coo 23.19 -4.89 44.25 27.28 -8.41 40.97 27.37 -6.86 13.66 24.72 -6.49 19.13 ULMN 3 1roz_c01 DEOXYHYPUSINE SYNTHASE user 4 3 # 4 B 137 GLU B 85 GLU.? 16.99 O4 SO4 B 243 B 288 HIS B 167 HIS~? -3.98 O2 SO4 B 243s B 329 LYS B 171 LYS~? 11.43 O2 SO4 B 243 coo 51.99 -1.20 48.77 51.89 -0.93 46.67 9.76 23.94 2.05 8.62 25.57 1.44 coo 31.44 -9.36 43.35 29.98 -10.83 43.65 2.71 26.62 21.63 2.19 24.83 20.66 coo 23.19 -4.89 44.25 27.28 -8.41 40.97 1.64 29.57 28.97 7.88 29.77 29.01 ULMN 3 1roz_c01 DEOXYHYPUSINE SYNTHASE user 5 3 # 5 B 137 GLU B 193 GLU~? 18.43 O1 SO4 B 243 B 288 HIS B 167 HIS~? -3.98 O2 SO4 B 243s B 329 LYS B 171 LYS~? 11.43 O2 SO4 B 243 coo 51.99 -1.20 48.77 51.89 -0.93 46.67 -11.89 25.08 3.55 -12.49 24.58 5.53 coo 31.44 -9.36 43.35 29.98 -10.83 43.65 2.71 26.62 21.63 2.19 24.83 20.66 coo 23.19 -4.89 44.25 27.28 -8.41 40.97 1.64 29.57 28.97 7.88 29.77 29.01 ULMN 3 1roz_c01 DEOXYHYPUSINE SYNTHASE user 6 3 # 6 B 137 GLU B 194 GLU~? 20.15 O1 SO4 B 243 B 288 HIS B 167 HIS~? -3.98 O2 SO4 B 243s B 329 LYS B 171 LYS~? 11.43 O2 SO4 B 243 coo 51.99 -1.20 48.77 51.89 -0.93 46.67 -8.16 20.98 2.40 -10.14 20.22 2.52 coo 31.44 -9.36 43.35 29.98 -10.83 43.65 2.71 26.62 21.63 2.19 24.83 20.66 coo 23.19 -4.89 44.25 27.28 -8.41 40.97 1.64 29.57 28.97 7.88 29.77 29.01 1roz_c01 source 1roz DEOXYHYPUSINE SYNTHASE : 6 hits 1roz_c01 naa= 3 ULMN 3 1rtf_c03 TWO CHAIN TISSUE PLASMINOGEN ACTIVATuser 1 3 # 1 B 57 HIS A 106 HIS^? 13.08 O1 SO4 A 243 B 102 ASP A 157 ASP~? 15.53 O1 SO4 A 243 B 195 SER A 105 SER^? 14.75 O1 SO4 A 243 coo -4.60 27.52 42.88 -4.63 27.41 40.76 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo -0.27 31.24 43.51 -1.49 29.62 42.98 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo -2.83 25.96 36.71 -4.77 27.03 37.63 17.97 -9.58 -6.03 17.57 -7.57 -7.37 ULMN 3 1rtf_c03 TWO CHAIN TISSUE PLASMINOGEN ACTIVATuser 2 3 # 2 B 57 HIS B 106 HIS^? 13.01 O3 SO4 B 243 B 102 ASP B 157 ASP~? 15.61 O3 SO4 B 243 B 195 SER B 105 SER^? 14.66 O3 SO4 B 243 coo -4.60 27.52 42.88 -4.63 27.41 40.76 -11.40 33.04 16.07 -11.74 35.05 16.56 coo -0.27 31.24 43.51 -1.49 29.62 42.98 -12.32 32.41 21.01 -13.75 33.02 22.44 coo -2.83 25.96 36.71 -4.77 27.03 37.63 -11.13 32.24 11.11 -11.87 30.19 10.06 1rtf_c03 source 1rtf TWO CHAIN TISSUE PLASMINOGEN ACTIVATOR : 2 hits 1rtf_c03 naa= 3 ULMN 3 1rtf_c06 TWO CHAIN TISSUE PLASMINOGEN ACTIVATuser 1 3 # 1 B 57 HIS A 106 HIS^? 13.08 O1 SO4 A 243 B 102 ASP A 107 ASP^? 18.51 O1 SO4 A 243 B 193 GLY A 155 GLY~? 16.12 O1 SO4 A 243 coo -4.60 27.52 42.88 -4.63 27.41 40.76 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo -0.27 31.24 43.51 -1.49 29.62 42.98 23.22 -6.70 -8.91 22.86 -8.00 -10.43 coo -6.81 22.81 34.74 -6.42 23.54 34.62 32.17 -9.95 0.50 31.84 -9.33 0.84 ULMN 3 1rtf_c06 TWO CHAIN TISSUE PLASMINOGEN ACTIVATuser 2 3 # 2 B 57 HIS B 106 HIS^? 13.01 O3 SO4 B 243 B 102 ASP B 107 ASP^? 18.02 O3 SO4 B 243 B 193 GLY B 155 GLY~? 16.11 O3 SO4 B 243 coo -4.60 27.52 42.88 -4.63 27.41 40.76 -11.40 33.04 16.07 -11.74 35.05 16.56 coo -0.27 31.24 43.51 -1.49 29.62 42.98 -16.27 29.29 14.31 -16.58 30.52 12.63 coo -6.81 22.81 34.74 -6.42 23.54 34.62 -12.14 32.63 26.81 -11.73 31.99 26.60 1rtf_c06 source 1rtf TWO CHAIN TISSUE PLASMINOGEN ACTIVATOR : 2 hits 1rtf_c06 naa= 3 ULMN 3 1rtu_c00 RIBONUCLEASE U2 user 1 3 # 1 41 HIS A 147 HIS^? 14.45 O3 SO4 A 243 62 GLU A 129 GLU^? 16.53 O1 SO4 A 243 101 HIS A 106 HIS^? 13.08 O1 SO4 A 243 coo 13.91 26.31 13.70 14.98 27.08 12.06 22.73 1.14 -3.20 21.31 1.29 -4.76 coo 9.15 26.32 13.85 8.75 28.20 13.02 20.62 -2.18 -6.03 20.44 -1.20 -7.86 coo 7.90 34.31 7.89 9.24 33.73 9.42 22.50 -10.50 -3.88 23.13 -12.51 -3.91 ULMN 3 1rtu_c00 RIBONUCLEASE U2 user 2 3 # 2 41 HIS B 147 HIS^? 14.18 O1 SO4 B 243 62 GLU B 129 GLU^? 16.54 O1 SO4 B 243 101 HIS B 106 HIS^? 13.01 O3 SO4 B 243 coo 13.91 26.31 13.70 14.98 27.08 12.06 -10.85 21.55 16.70 -11.51 21.37 14.71 coo 9.15 26.32 13.85 8.75 28.20 13.02 -12.39 24.89 13.45 -13.91 23.80 12.41 coo 7.90 34.31 7.89 9.24 33.73 9.42 -11.40 33.04 16.07 -11.74 35.05 16.56 1rtu_c00 source 1rtu RIBONUCLEASE U2 : 2 hits 1rtu_c00 naa= 3 ULMN 3 1s3i_c00 10-FORMYLTETRAHYDROFOLATE DEHYDROGENuser 1 3 # 1 A 104 ILE A 108 ILE^? 18.11 O1 SO4 A 243 A 106 HIS A 106 HIS^? 13.08 O1 SO4 A 243 A 142 ASP A 157 ASP~? 15.53 O1 SO4 A 243 coo -15.54 60.72 29.56 -16.71 61.53 30.10 28.56 -6.50 -7.23 29.64 -6.89 -6.45 coo -17.00 64.03 23.46 -18.21 65.65 22.90 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo -17.05 67.91 26.85 -18.66 66.47 26.76 27.16 -9.86 -2.28 29.16 -10.33 -2.80 ULMN 3 1s3i_c00 10-FORMYLTETRAHYDROFOLATE DEHYDROGENuser 2 3 # 2 A 104 ILE B 108 ILE^? 18.18 O3 SO4 B 243 A 106 HIS B 106 HIS^? 13.01 O3 SO4 B 243 A 142 ASP B 157 ASP~? 15.61 O3 SO4 B 243 coo -15.54 60.72 29.56 -16.71 61.53 30.10 -17.22 29.01 19.83 -17.08 29.41 21.18 coo -17.00 64.03 23.46 -18.21 65.65 22.90 -11.40 33.04 16.07 -11.74 35.05 16.56 coo -17.05 67.91 26.85 -18.66 66.47 26.76 -12.32 32.41 21.01 -13.75 33.02 22.44 1s3i_c00 source 1s3i 10-FORMYLTETRAHYDROFOLATE DEHYDROGENASE : 2 hits 1s3i_c00 naa= 3 ULMN 3 1sca_c00 SUBTILISIN CARLSBERG (E.C.3.4.21.62)user 1 3 # 1 32 ASP A 157 ASP~? 15.53 O1 SO4 A 243 64 HIS A 106 HIS^? 13.08 O1 SO4 A 243 221 SER A 105 SER^? 14.75 O1 SO4 A 243 coo 80.16 73.25 62.48 80.01 71.25 61.82 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo 78.27 67.69 61.83 79.58 67.76 60.19 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo 83.63 66.07 58.16 81.31 66.75 57.98 17.97 -9.58 -6.03 17.57 -7.57 -7.37 ULMN 3 1sca_c00 SUBTILISIN CARLSBERG (E.C.3.4.21.62)user 2 3 # 2 32 ASP B 157 ASP~? 15.61 O3 SO4 B 243 64 HIS B 106 HIS^? 13.01 O3 SO4 B 243 221 SER B 105 SER^? 14.66 O3 SO4 B 243 coo 80.16 73.25 62.48 80.01 71.25 61.82 -12.32 32.41 21.01 -13.75 33.02 22.44 coo 78.27 67.69 61.83 79.58 67.76 60.19 -11.40 33.04 16.07 -11.74 35.05 16.56 coo 83.63 66.07 58.16 81.31 66.75 57.98 -11.13 32.24 11.11 -11.87 30.19 10.06 ULMN 3 1sca_c00 SUBTILISIN CARLSBERG (E.C.3.4.21.62)user 3 3 # 3 32 ASP B 162 ASP.? 11.47 O3 SO4 B 243 64 HIS B 102 HIS^? 13.40 O3 SO4 B 243 221 SER B 105 SER^? 14.66 O3 SO4 B 243 coo 80.16 73.25 62.48 80.01 71.25 61.82 -2.91 38.69 12.19 -3.85 37.85 10.43 coo 78.27 67.69 61.83 79.58 67.76 60.19 -4.13 35.26 6.99 -5.90 36.34 6.69 coo 83.63 66.07 58.16 81.31 66.75 57.98 -11.13 32.24 11.11 -11.87 30.19 10.06 1sca_c00 source 1sca SUBTILISIN CARLSBERG (E.C.3.4.21.62) (AQUEOUS : 3 hits 1sca_c00 naa= 3 ULMN 3 1sca_c01 SUBTILISIN CARLSBERG (E.C.3.4.21.62)user 1 3 # 1 32 ASP A 204 ASP.? 25.99 O3 SO4 A 243 64 HIS A 229 HIS^? 22.39 O3 SO4 A 243 155 ASN A 136 ASN.? 17.89 O2 SO4 A 243 coo 80.16 73.25 62.48 80.01 71.25 61.82 0.25 4.29 -7.71 -1.48 3.39 -8.50 coo 78.27 67.69 61.83 79.58 67.76 60.19 -0.05 2.05 -3.08 -1.62 2.78 -4.27 coo 80.34 61.88 52.75 81.25 63.19 54.35 0.79 -6.12 4.86 -1.05 -6.29 5.90 ULMN 3 1sca_c01 SUBTILISIN CARLSBERG (E.C.3.4.21.62)user 2 3 # 2 32 ASP A 204 ASP.? 25.99 O3 SO4 A 243 64 HIS A 229 HIS^? 22.39 O3 SO4 A 243 155 ASN B 186 ASN^? 21.89 O1 SO4 B 243 coo 80.16 73.25 62.48 80.01 71.25 61.82 0.25 4.29 -7.71 -1.48 3.39 -8.50 coo 78.27 67.69 61.83 79.58 67.76 60.19 -0.05 2.05 -3.08 -1.62 2.78 -4.27 coo 80.34 61.88 52.75 81.25 63.19 54.35 -2.69 10.01 6.36 -2.94 8.50 7.82 ULMN 3 1sca_c01 SUBTILISIN CARLSBERG (E.C.3.4.21.62)user 3 3 # 3 32 ASP B 204 ASP.? 26.31 O1 SO4 B 243 64 HIS B 229 HIS^? 22.78 O1 SO4 B 243 155 ASN A 186 ASN^? 21.74 O3 SO4 A 243 coo 80.16 73.25 62.48 80.01 71.25 61.82 -4.03 18.39 -5.24 -3.87 19.29 -7.14 coo 78.27 67.69 61.83 79.58 67.76 60.19 0.17 20.57 -3.28 -0.12 19.82 -5.21 coo 80.34 61.88 52.75 81.25 63.19 54.35 9.75 12.61 -1.00 11.18 14.16 -0.53 1sca_c01 source 1sca SUBTILISIN CARLSBERG (E.C.3.4.21.62) (AQUEOUS : 3 hits 1sca_c01 naa= 3 ULMN 3 1sll_c00 SIALIDASE L user 1 3 # 1 318 ASP A 199 ASP~? 23.37 O3 SO4 A 243 595 GLU A 194 GLU~? 19.96 O3 SO4 A 243 713 TYR A 197 TYR~? 17.30 O1 SO4 A 243 coo 5.64 2.82 38.49 4.59 4.19 37.25 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 coo 4.35 13.73 37.63 3.39 12.18 36.55 8.83 1.58 -7.66 9.92 2.44 -9.22 coo 3.76 10.25 31.38 3.16 9.87 34.10 9.27 -5.67 -7.32 11.22 -6.86 -8.96 ULMN 3 1sll_c00 SIALIDASE L user 2 3 # 2 318 ASP A 210 ASP^? 16.17 O3 SO4 A 243 595 GLU A 144 GLU^? 5.14 O3 SO4 A 243 713 TYR A 222 TYR^? 7.75 O4 SO4 A 243 coo 5.64 2.82 38.49 4.59 4.19 37.25 15.65 9.10 1.05 17.66 9.20 0.39 coo 4.35 13.73 37.63 3.39 12.18 36.55 15.10 -1.99 1.69 15.82 -3.30 3.21 coo 3.76 10.25 31.38 3.16 9.87 34.10 23.05 0.50 5.53 21.22 0.35 7.67 ULMN 3 1sll_c00 SIALIDASE L user 3 3 # 3 318 ASP B 199 ASP~? 23.68 O1 SO4 B 243 595 GLU B 194 GLU~? 20.15 O1 SO4 B 243 713 TYR B 197 TYR~? 17.25 O3 SO4 B 243 coo 5.64 2.82 38.49 4.59 4.19 37.25 -3.04 28.39 -4.12 -2.88 29.28 -6.05 coo 4.35 13.73 37.63 3.39 12.18 36.55 -8.16 20.98 2.40 -10.14 20.22 2.52 coo 3.76 10.25 31.38 3.16 9.87 34.10 -8.04 28.46 2.86 -10.26 29.82 3.98 1sll_c00 source 1sll SIALIDASE L : 3 hits 1sll_c00 naa= 3 ULMN 3 1sme_c04 PLASMEPSIN II user 1 3 # 1 A 34 ASP A 107 ASP^? 18.51 O1 SO4 A 243 A 37 SER A 105 SER^? 14.75 O1 SO4 A 243 A 214 ASP A 157 ASP~? 15.53 O1 SO4 A 243 coo 51.75 60.57 19.10 52.05 60.90 21.19 23.22 -6.70 -8.91 22.86 -8.00 -10.43 coo 51.10 65.11 20.73 52.62 63.74 19.42 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo 48.59 58.89 25.78 50.13 59.74 24.61 27.16 -9.86 -2.28 29.16 -10.33 -2.80 ULMN 3 1sme_c04 PLASMEPSIN II user 2 3 # 2 A 34 ASP A 199 ASP~? 23.37 O3 SO4 A 243 A 37 SER A 195 SER~? 24.26 O3 SO4 A 243 A 214 ASP A 201 ASP.? 28.67 O3 SO4 A 243 coo 51.75 60.57 19.10 52.05 60.90 21.19 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 coo 51.10 65.11 20.73 52.62 63.74 19.42 4.31 -1.23 -10.07 4.20 -1.50 -12.49 coo 48.59 58.89 25.78 50.13 59.74 24.61 -1.72 1.66 -11.39 -3.36 0.47 -11.68 ULMN 3 1sme_c04 PLASMEPSIN II user 3 3 # 3 A 34 ASP A 201 ASP.? 28.67 O3 SO4 A 243 A 37 SER A 195 SER~? 24.26 O3 SO4 A 243 A 214 ASP A 199 ASP~? 23.37 O3 SO4 A 243 coo 51.75 60.57 19.10 52.05 60.90 21.19 -1.72 1.66 -11.39 -3.36 0.47 -11.68 coo 51.10 65.11 20.73 52.62 63.74 19.42 4.31 -1.23 -10.07 4.20 -1.50 -12.49 coo 48.59 58.89 25.78 50.13 59.74 24.61 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 ULMN 3 1sme_c04 PLASMEPSIN II user 4 3 # 4 A 34 ASP B 107 ASP^? 18.02 O3 SO4 B 243 A 37 SER B 105 SER^? 14.66 O3 SO4 B 243 A 214 ASP B 157 ASP~? 15.61 O3 SO4 B 243 coo 51.75 60.57 19.10 52.05 60.90 21.19 -16.27 29.29 14.31 -16.58 30.52 12.63 coo 51.10 65.11 20.73 52.62 63.74 19.42 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 48.59 58.89 25.78 50.13 59.74 24.61 -12.32 32.41 21.01 -13.75 33.02 22.44 ULMN 3 1sme_c04 PLASMEPSIN II user 5 3 # 5 A 34 ASP B 199 ASP~? 23.68 O1 SO4 B 243 A 37 SER B 195 SER~? 24.29 O1 SO4 B 243 A 214 ASP B 201 ASP.? 28.94 O1 SO4 B 243 coo 51.75 60.57 19.10 52.05 60.90 21.19 -3.04 28.39 -4.12 -2.88 29.28 -6.05 coo 51.10 65.11 20.73 52.62 63.74 19.42 -8.00 23.84 -2.71 -9.97 24.14 -3.95 coo 48.59 58.89 25.78 50.13 59.74 24.61 -6.53 20.97 -8.85 -5.67 22.23 -10.32 1sme_c04 source 1sme PLASMEPSIN II : 5 hits 1sme_c04 naa= 3 ULMN 3 1sme_c05 PLASMEPSIN II user 1 3 # 1 B 34 ASP A 107 ASP^? 18.51 O1 SO4 A 243 B 37 SER A 105 SER^? 14.75 O1 SO4 A 243 B 214 ASP A 157 ASP~? 15.53 O1 SO4 A 243 coo 17.69 97.58 52.73 17.33 97.19 54.77 23.22 -6.70 -8.91 22.86 -8.00 -10.43 coo 20.67 100.44 55.84 20.21 98.51 54.45 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo 12.41 98.71 58.47 14.37 98.17 58.05 27.16 -9.86 -2.28 29.16 -10.33 -2.80 ULMN 3 1sme_c05 PLASMEPSIN II user 2 3 # 2 B 34 ASP A 199 ASP~? 23.37 O3 SO4 A 243 B 37 SER A 195 SER~? 24.26 O3 SO4 A 243 B 214 ASP A 201 ASP.? 28.67 O3 SO4 A 243 coo 17.69 97.58 52.73 17.33 97.19 54.77 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 coo 20.67 100.44 55.84 20.21 98.51 54.45 4.31 -1.23 -10.07 4.20 -1.50 -12.49 coo 12.41 98.71 58.47 14.37 98.17 58.05 -1.72 1.66 -11.39 -3.36 0.47 -11.68 ULMN 3 1sme_c05 PLASMEPSIN II user 3 3 # 3 B 34 ASP A 201 ASP.? 28.67 O3 SO4 A 243 B 37 SER A 195 SER~? 24.26 O3 SO4 A 243 B 214 ASP A 199 ASP~? 23.37 O3 SO4 A 243 coo 17.69 97.58 52.73 17.33 97.19 54.77 -1.72 1.66 -11.39 -3.36 0.47 -11.68 coo 20.67 100.44 55.84 20.21 98.51 54.45 4.31 -1.23 -10.07 4.20 -1.50 -12.49 coo 12.41 98.71 58.47 14.37 98.17 58.05 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 ULMN 3 1sme_c05 PLASMEPSIN II user 4 3 # 4 B 34 ASP B 107 ASP^? 18.02 O3 SO4 B 243 B 37 SER B 105 SER^? 14.66 O3 SO4 B 243 B 214 ASP B 157 ASP~? 15.61 O3 SO4 B 243 coo 17.69 97.58 52.73 17.33 97.19 54.77 -16.27 29.29 14.31 -16.58 30.52 12.63 coo 20.67 100.44 55.84 20.21 98.51 54.45 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 12.41 98.71 58.47 14.37 98.17 58.05 -12.32 32.41 21.01 -13.75 33.02 22.44 ULMN 3 1sme_c05 PLASMEPSIN II user 5 3 # 5 B 34 ASP B 199 ASP~? 23.68 O1 SO4 B 243 B 37 SER B 195 SER~? 24.29 O1 SO4 B 243 B 214 ASP B 201 ASP.? 28.94 O1 SO4 B 243 coo 17.69 97.58 52.73 17.33 97.19 54.77 -3.04 28.39 -4.12 -2.88 29.28 -6.05 coo 20.67 100.44 55.84 20.21 98.51 54.45 -8.00 23.84 -2.71 -9.97 24.14 -3.95 coo 12.41 98.71 58.47 14.37 98.17 58.05 -6.53 20.97 -8.85 -5.67 22.23 -10.32 ULMN 3 1sme_c05 PLASMEPSIN II user 6 3 # 6 B 34 ASP B 201 ASP.? 28.94 O1 SO4 B 243 B 37 SER B 195 SER~? 24.29 O1 SO4 B 243 B 214 ASP B 199 ASP~? 23.68 O1 SO4 B 243 coo 17.69 97.58 52.73 17.33 97.19 54.77 -6.53 20.97 -8.85 -5.67 22.23 -10.32 coo 20.67 100.44 55.84 20.21 98.51 54.45 -8.00 23.84 -2.71 -9.97 24.14 -3.95 coo 12.41 98.71 58.47 14.37 98.17 58.05 -3.04 28.39 -4.12 -2.88 29.28 -6.05 1sme_c05 source 1sme PLASMEPSIN II : 6 hits 1sme_c05 naa= 3 ULMN 3 1ssx_c02 ALPHA-LYTIC PROTEASE user 1 3 # 1 A 57 HIS A 106 HIS^? 13.08 O1 SO4 A 243 A 102 ASP A 107 ASP^? 18.51 O1 SO4 A 243 A 193 GLY A 155 GLY~? 16.12 O1 SO4 A 243 coo 15.02 29.17 19.44 15.63 29.96 17.60 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo 19.67 30.58 22.61 18.30 29.87 21.17 23.22 -6.70 -8.91 22.86 -8.00 -10.43 coo 14.52 29.10 10.01 15.08 29.66 10.19 32.17 -9.95 0.50 31.84 -9.33 0.84 ULMN 3 1ssx_c02 ALPHA-LYTIC PROTEASE user 2 3 # 2 A 57 HIS B 106 HIS^? 13.01 O3 SO4 B 243 A 102 ASP B 107 ASP^? 18.02 O3 SO4 B 243 A 193 GLY B 155 GLY~? 16.11 O3 SO4 B 243 coo 15.02 29.17 19.44 15.63 29.96 17.60 -11.40 33.04 16.07 -11.74 35.05 16.56 coo 19.67 30.58 22.61 18.30 29.87 21.17 -16.27 29.29 14.31 -16.58 30.52 12.63 coo 14.52 29.10 10.01 15.08 29.66 10.19 -12.14 32.63 26.81 -11.73 31.99 26.60 1ssx_c02 source 1ssx ALPHA-LYTIC PROTEASE : 2 hits 1ssx_c02 naa= 3 ULMN 3 1stc_c02 CAMP-DEPENDENT PROTEIN KINASE user 1 3 # 1 E 166 ASP A 210 ASP^? 16.17 O3 SO4 A 243 E 168 LYS A 183 LYS^? 12.80 O3 SO4 A 243 E 201 THR A 212 THR^? 14.79 O3 SO4 A 243 coo 5.36 16.20 22.10 3.88 17.00 23.31 15.65 9.10 1.05 17.66 9.20 0.39 coo 5.06 22.32 18.11 1.02 22.08 22.74 15.64 9.91 6.99 14.95 7.19 11.14 coo -1.79 18.29 19.05 -1.19 20.28 19.71 21.33 6.89 5.45 22.71 8.01 4.37 ULMN 3 1stc_c02 CAMP-DEPENDENT PROTEIN KINASE user 2 3 # 2 E 166 ASP B 210 ASP^? 16.02 O1 SO4 B 243 E 168 LYS B 183 LYS^? 10.90 O1 SO4 B 243 E 201 THR B 212 THR^? 14.56 O1 SO4 B 243 coo 5.36 16.20 22.10 3.88 17.00 23.31 -3.61 13.59 12.62 -5.22 13.58 13.96 coo 5.06 22.32 18.11 1.02 22.08 22.74 1.60 12.78 15.42 4.74 17.90 14.06 coo -1.79 18.29 19.05 -1.19 20.28 19.71 -2.46 15.86 19.61 -4.11 14.69 20.29 1stc_c02 source 1stc CAMP-DEPENDENT PROTEIN KINASE : 2 hits 1stc_c02 naa= 3 ULMN 3 1t0u_c01 URIDINE PHOSPHORYLASE user 1 3 # 1 B 8 HIS A 147 HIS^? 14.45 O3 SO4 A 243 B 80 GLU A 129 GLU^? 16.53 O1 SO4 A 243 B 223 ARG B 232 ARG.? 20.69 O1 SO4 B 243 coo -27.29 12.84 -47.54 -26.57 10.91 -47.95 22.73 1.14 -3.20 21.31 1.29 -4.76 coo -24.01 16.61 -49.84 -25.90 15.74 -49.71 20.62 -2.18 -6.03 20.44 -1.20 -7.86 coo -14.82 14.90 -18.49 -14.21 12.08 -19.40 2.95 23.97 -2.41 0.09 24.88 -3.25 ULMN 3 1t0u_c01 URIDINE PHOSPHORYLASE user 2 3 # 2 B 8 HIS B 147 HIS^? 14.18 O1 SO4 B 243 B 80 GLU B 129 GLU^? 16.54 O1 SO4 B 243 B 223 ARG A 232 ARG.? 20.27 O3 SO4 A 243 coo -27.29 12.84 -47.54 -26.57 10.91 -47.95 -10.85 21.55 16.70 -11.51 21.37 14.71 coo -24.01 16.61 -49.84 -25.90 15.74 -49.71 -12.39 24.89 13.45 -13.91 23.80 12.41 coo -14.82 14.90 -18.49 -14.21 12.08 -19.40 -0.55 -1.37 -0.24 0.04 -2.25 -3.11 1t0u_c01 source 1t0u URIDINE PHOSPHORYLASE : 2 hits 1t0u_c01 naa= 3 ULMN 3 1tah_c00 LIPASE user 1 3 # 1 B 87 SER A 105 SER^? 14.75 O1 SO4 A 243 B 263 ASP A 157 ASP~? 15.53 O1 SO4 A 243 B 285 HIS A 106 HIS^? 13.08 O1 SO4 A 243 coo 22.42 -97.03 -8.07 21.76 -97.41 -5.67 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo 16.89 -89.90 -4.68 18.61 -91.11 -4.79 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo 17.98 -94.63 -4.37 19.67 -95.43 -5.31 22.50 -10.50 -3.88 23.13 -12.51 -3.91 ULMN 3 1tah_c00 LIPASE user 2 3 # 2 B 87 SER B 105 SER^? 14.66 O3 SO4 B 243 B 263 ASP B 157 ASP~? 15.61 O3 SO4 B 243 B 285 HIS B 106 HIS^? 13.01 O3 SO4 B 243 coo 22.42 -97.03 -8.07 21.76 -97.41 -5.67 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 16.89 -89.90 -4.68 18.61 -91.11 -4.79 -12.32 32.41 21.01 -13.75 33.02 22.44 coo 17.98 -94.63 -4.37 19.67 -95.43 -5.31 -11.40 33.04 16.07 -11.74 35.05 16.56 1tah_c00 source 1tah LIPASE : 2 hits 1tah_c00 naa= 3 ULMN 3 1tah_c01 LIPASE user 1 3 # 1 A 87 SER A 105 SER^? 14.75 O1 SO4 A 243 A 263 ASP A 157 ASP~? 15.53 O1 SO4 A 243 A 285 HIS A 106 HIS^? 13.08 O1 SO4 A 243 coo 22.12 -58.48 -5.22 21.49 -58.54 -7.64 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo 14.10 -63.60 -6.78 16.16 -63.15 -6.92 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo 16.85 -59.90 -8.29 18.78 -59.58 -7.55 22.50 -10.50 -3.88 23.13 -12.51 -3.91 ULMN 3 1tah_c01 LIPASE user 2 3 # 2 A 87 SER B 105 SER^? 14.66 O3 SO4 B 243 A 263 ASP B 157 ASP~? 15.61 O3 SO4 B 243 A 285 HIS B 106 HIS^? 13.01 O3 SO4 B 243 coo 22.12 -58.48 -5.22 21.49 -58.54 -7.64 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 14.10 -63.60 -6.78 16.16 -63.15 -6.92 -12.32 32.41 21.01 -13.75 33.02 22.44 coo 16.85 -59.90 -8.29 18.78 -59.58 -7.55 -11.40 33.04 16.07 -11.74 35.05 16.56 1tah_c01 source 1tah LIPASE : 2 hits 1tah_c01 naa= 3 ULMN 3 1tah_c02 LIPASE user 1 3 # 1 C 87 SER A 105 SER^? 14.75 O1 SO4 A 243 C 263 ASP A 157 ASP~? 15.53 O1 SO4 A 243 C 285 HIS A 106 HIS^? 13.08 O1 SO4 A 243 coo -11.81 -66.75 15.59 -10.14 -64.90 16.04 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo -12.58 -63.22 24.54 -12.69 -63.15 22.41 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo -9.60 -64.04 20.79 -10.32 -64.61 18.90 22.50 -10.50 -3.88 23.13 -12.51 -3.91 ULMN 3 1tah_c02 LIPASE user 2 3 # 2 C 87 SER B 105 SER^? 14.66 O3 SO4 B 243 C 263 ASP B 157 ASP~? 15.61 O3 SO4 B 243 C 285 HIS B 106 HIS^? 13.01 O3 SO4 B 243 coo -11.81 -66.75 15.59 -10.14 -64.90 16.04 -11.13 32.24 11.11 -11.87 30.19 10.06 coo -12.58 -63.22 24.54 -12.69 -63.15 22.41 -12.32 32.41 21.01 -13.75 33.02 22.44 coo -9.60 -64.04 20.79 -10.32 -64.61 18.90 -11.40 33.04 16.07 -11.74 35.05 16.56 1tah_c02 source 1tah LIPASE : 2 hits 1tah_c02 naa= 3 ULMN 3 1tah_c03 LIPASE user 1 3 # 1 D 87 SER A 105 SER^? 14.75 O1 SO4 A 243 D 263 ASP A 157 ASP~? 15.53 O1 SO4 A 243 D 285 HIS A 106 HIS^? 13.08 O1 SO4 A 243 coo -33.67 -57.82 -16.64 -34.00 -55.36 -17.02 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo -32.45 -52.67 -8.57 -33.54 -53.48 -10.22 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo -32.12 -52.68 -13.42 -32.95 -54.21 -14.59 22.50 -10.50 -3.88 23.13 -12.51 -3.91 ULMN 3 1tah_c03 LIPASE user 2 3 # 2 D 87 SER B 105 SER^? 14.66 O3 SO4 B 243 D 263 ASP B 157 ASP~? 15.61 O3 SO4 B 243 D 285 HIS B 106 HIS^? 13.01 O3 SO4 B 243 coo -33.67 -57.82 -16.64 -34.00 -55.36 -17.02 -11.13 32.24 11.11 -11.87 30.19 10.06 coo -32.45 -52.67 -8.57 -33.54 -53.48 -10.22 -12.32 32.41 21.01 -13.75 33.02 22.44 coo -32.12 -52.68 -13.42 -32.95 -54.21 -14.59 -11.40 33.04 16.07 -11.74 35.05 16.56 1tah_c03 source 1tah LIPASE : 2 hits 1tah_c03 naa= 3 ULMN 3 1thg_c00 LIPASE (E.C.3.1.1.3) TRIACYLGLYCEROLuser 1 3 # 1 217 SER A 224 SER^? 7.40 O3 SO4 A 243 354 GLU A 129 GLU^? 16.53 O1 SO4 A 243 463 HIS A 147 HIS^? 14.45 O3 SO4 A 243 coo 48.87 13.74 2.81 48.49 11.54 3.93 18.13 2.56 1.79 18.41 0.79 3.71 coo 39.95 14.43 3.01 41.55 14.10 1.63 20.62 -2.18 -6.03 20.44 -1.20 -7.86 coo 43.90 10.50 2.81 45.63 11.48 3.27 22.73 1.14 -3.20 21.31 1.29 -4.76 ULMN 3 1thg_c00 LIPASE (E.C.3.1.1.3) TRIACYLGLYCEROLuser 2 3 # 2 217 SER B 224 SER^? 7.35 O1 SO4 B 243 354 GLU B 129 GLU^? 16.54 O1 SO4 B 243 463 HIS B 147 HIS^? 14.18 O1 SO4 B 243 coo 48.87 13.74 2.81 48.49 11.54 3.93 -4.24 20.16 15.05 -2.83 21.89 16.14 coo 39.95 14.43 3.01 41.55 14.10 1.63 -12.39 24.89 13.45 -13.91 23.80 12.41 coo 43.90 10.50 2.81 45.63 11.48 3.27 -10.85 21.55 16.70 -11.51 21.37 14.71 1thg_c00 source 1thg LIPASE (E.C.3.1.1.3) TRIACYLGLYCEROL HYDROLASE: 2 hits 1thg_c00 naa= 3 ULMN 3 1ti6_c06 PYROGALLOL HYDROXYTRANSFERASE SMALL user 1 3 # 1 A 144 HIS A 106 HIS^? 13.08 O1 SO4 A 243 A 174 ASP A 162 ASP.? 11.51 O1 SO4 A 243 A 404 TYR A 148 TYR^? 8.27 O1 SO4 A 243 coo 18.51 -77.38 -39.07 19.76 -78.71 -38.04 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo 27.58 -77.64 -39.00 25.78 -78.57 -39.64 14.78 -15.75 1.96 14.18 -15.13 0.01 coo 14.43 -85.16 -40.78 16.47 -83.93 -39.31 25.02 -3.19 2.22 22.65 -3.79 3.58 ULMN 3 1ti6_c06 PYROGALLOL HYDROXYTRANSFERASE SMALL user 2 3 # 2 A 144 HIS A 147 HIS^? 14.45 O3 SO4 A 243 A 174 ASP A 107 ASP^? 18.51 O1 SO4 A 243 A 404 TYR A 222 TYR^? 7.75 O4 SO4 A 243 coo 18.51 -77.38 -39.07 19.76 -78.71 -38.04 22.73 1.14 -3.20 21.31 1.29 -4.76 coo 27.58 -77.64 -39.00 25.78 -78.57 -39.64 23.22 -6.70 -8.91 22.86 -8.00 -10.43 coo 14.43 -85.16 -40.78 16.47 -83.93 -39.31 23.05 0.50 5.53 21.22 0.35 7.67 ULMN 3 1ti6_c06 PYROGALLOL HYDROXYTRANSFERASE SMALL user 3 3 # 3 A 144 HIS A 229 HIS^? 22.39 O3 SO4 A 243 A 174 ASP A 199 ASP~? 23.37 O3 SO4 A 243 A 404 TYR A 189 TYR^? 26.30 O3 SO4 A 243 coo 18.51 -77.38 -39.07 19.76 -78.71 -38.04 -0.05 2.05 -3.08 -1.62 2.78 -4.27 coo 27.58 -77.64 -39.00 25.78 -78.57 -39.64 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 coo 14.43 -85.16 -40.78 16.47 -83.93 -39.31 4.23 10.24 -8.72 3.02 12.25 -7.15 ULMN 3 1ti6_c06 PYROGALLOL HYDROXYTRANSFERASE SMALL user 4 3 # 4 A 144 HIS B 106 HIS^? 13.01 O3 SO4 B 243 A 174 ASP B 162 ASP.? 11.47 O3 SO4 B 243 A 404 TYR B 148 TYR^? 8.32 O1 SO4 B 243 coo 18.51 -77.38 -39.07 19.76 -78.71 -38.04 -11.40 33.04 16.07 -11.74 35.05 16.56 coo 27.58 -77.64 -39.00 25.78 -78.57 -39.64 -2.91 38.69 12.19 -3.85 37.85 10.43 coo 14.43 -85.16 -40.78 16.47 -83.93 -39.31 -7.17 25.88 21.30 -4.84 26.54 19.90 ULMN 3 1ti6_c06 PYROGALLOL HYDROXYTRANSFERASE SMALL user 5 3 # 5 A 144 HIS B 147 HIS^? 14.18 O1 SO4 B 243 A 174 ASP B 107 ASP^? 18.02 O3 SO4 B 243 A 404 TYR B 222 TYR^? 7.39 O1 SO4 B 243 coo 18.51 -77.38 -39.07 19.76 -78.71 -38.04 -10.85 21.55 16.70 -11.51 21.37 14.71 coo 27.58 -77.64 -39.00 25.78 -78.57 -39.64 -16.27 29.29 14.31 -16.58 30.52 12.63 coo 14.43 -85.16 -40.78 16.47 -83.93 -39.31 -3.31 22.23 21.14 -0.55 22.44 20.59 ULMN 3 1ti6_c06 PYROGALLOL HYDROXYTRANSFERASE SMALL user 6 3 # 6 A 144 HIS B 229 HIS^? 22.78 O1 SO4 B 243 A 174 ASP B 199 ASP~? 23.68 O1 SO4 B 243 A 404 TYR B 189 TYR^? 26.50 O1 SO4 B 243 coo 18.51 -77.38 -39.07 19.76 -78.71 -38.04 0.17 20.57 -3.28 -0.12 19.82 -5.21 coo 27.58 -77.64 -39.00 25.78 -78.57 -39.64 -3.04 28.39 -4.12 -2.88 29.28 -6.05 coo 14.43 -85.16 -40.78 16.47 -83.93 -39.31 -6.84 12.36 -2.18 -4.84 10.46 -2.47 1ti6_c06 source 1ti6 PYROGALLOL HYDROXYTRANSFERASE SMALL SUBUNIT : 6 hits 1ti6_c06 naa= 3 ULMN 3 1ti6_c07 PYROGALLOL HYDROXYTRANSFERASE SMALL user 1 3 # 1 C 144 HIS A 106 HIS^? 13.08 O1 SO4 A 243 C 174 ASP A 162 ASP.? 11.51 O1 SO4 A 243 C 404 TYR A 148 TYR^? 8.27 O1 SO4 A 243 coo -15.55 89.08 -13.38 -16.05 90.98 -14.11 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo -23.98 91.31 -16.16 -21.94 90.86 -16.65 14.78 -15.75 1.96 14.18 -15.13 0.01 coo -8.89 91.06 -18.89 -11.23 91.99 -17.67 25.02 -3.19 2.22 22.65 -3.79 3.58 ULMN 3 1ti6_c07 PYROGALLOL HYDROXYTRANSFERASE SMALL user 2 3 # 2 C 144 HIS A 147 HIS^? 14.45 O3 SO4 A 243 C 174 ASP A 107 ASP^? 18.51 O1 SO4 A 243 C 404 TYR A 222 TYR^? 7.75 O4 SO4 A 243 coo -15.55 89.08 -13.38 -16.05 90.98 -14.11 22.73 1.14 -3.20 21.31 1.29 -4.76 coo -23.98 91.31 -16.16 -21.94 90.86 -16.65 23.22 -6.70 -8.91 22.86 -8.00 -10.43 coo -8.89 91.06 -18.89 -11.23 91.99 -17.67 23.05 0.50 5.53 21.22 0.35 7.67 ULMN 3 1ti6_c07 PYROGALLOL HYDROXYTRANSFERASE SMALL user 3 3 # 3 C 144 HIS A 229 HIS^? 22.39 O3 SO4 A 243 C 174 ASP A 199 ASP~? 23.37 O3 SO4 A 243 C 404 TYR A 189 TYR^? 26.30 O3 SO4 A 243 coo -15.55 89.08 -13.38 -16.05 90.98 -14.11 -0.05 2.05 -3.08 -1.62 2.78 -4.27 coo -23.98 91.31 -16.16 -21.94 90.86 -16.65 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 coo -8.89 91.06 -18.89 -11.23 91.99 -17.67 4.23 10.24 -8.72 3.02 12.25 -7.15 ULMN 3 1ti6_c07 PYROGALLOL HYDROXYTRANSFERASE SMALL user 4 3 # 4 C 144 HIS B 106 HIS^? 13.01 O3 SO4 B 243 C 174 ASP B 162 ASP.? 11.47 O3 SO4 B 243 C 404 TYR B 148 TYR^? 8.32 O1 SO4 B 243 coo -15.55 89.08 -13.38 -16.05 90.98 -14.11 -11.40 33.04 16.07 -11.74 35.05 16.56 coo -23.98 91.31 -16.16 -21.94 90.86 -16.65 -2.91 38.69 12.19 -3.85 37.85 10.43 coo -8.89 91.06 -18.89 -11.23 91.99 -17.67 -7.17 25.88 21.30 -4.84 26.54 19.90 ULMN 3 1ti6_c07 PYROGALLOL HYDROXYTRANSFERASE SMALL user 5 3 # 5 C 144 HIS B 147 HIS^? 14.18 O1 SO4 B 243 C 174 ASP B 107 ASP^? 18.02 O3 SO4 B 243 C 404 TYR B 222 TYR^? 7.39 O1 SO4 B 243 coo -15.55 89.08 -13.38 -16.05 90.98 -14.11 -10.85 21.55 16.70 -11.51 21.37 14.71 coo -23.98 91.31 -16.16 -21.94 90.86 -16.65 -16.27 29.29 14.31 -16.58 30.52 12.63 coo -8.89 91.06 -18.89 -11.23 91.99 -17.67 -3.31 22.23 21.14 -0.55 22.44 20.59 ULMN 3 1ti6_c07 PYROGALLOL HYDROXYTRANSFERASE SMALL user 6 3 # 6 C 144 HIS B 229 HIS^? 22.78 O1 SO4 B 243 C 174 ASP B 199 ASP~? 23.68 O1 SO4 B 243 C 404 TYR B 189 TYR^? 26.50 O1 SO4 B 243 coo -15.55 89.08 -13.38 -16.05 90.98 -14.11 0.17 20.57 -3.28 -0.12 19.82 -5.21 coo -23.98 91.31 -16.16 -21.94 90.86 -16.65 -3.04 28.39 -4.12 -2.88 29.28 -6.05 coo -8.89 91.06 -18.89 -11.23 91.99 -17.67 -6.84 12.36 -2.18 -4.84 10.46 -2.47 1ti6_c07 source 1ti6 PYROGALLOL HYDROXYTRANSFERASE SMALL SUBUNIT : 6 hits 1ti6_c07 naa= 3 ULMN 3 1ti6_c08 PYROGALLOL HYDROXYTRANSFERASE SMALL user 1 3 # 1 E 144 HIS A 106 HIS^? 13.08 O1 SO4 A 243 E 174 ASP A 162 ASP.? 11.51 O1 SO4 A 243 E 404 TYR A 148 TYR^? 8.27 O1 SO4 A 243 coo -7.53-107.59 75.19 -8.14-106.04 76.47 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo -3.55-105.39 83.13 -5.21-106.24 82.09 14.78 -15.75 1.96 14.18 -15.13 0.01 coo -16.31-108.78 75.35 -14.20-107.14 76.16 25.02 -3.19 2.22 22.65 -3.79 3.58 ULMN 3 1ti6_c08 PYROGALLOL HYDROXYTRANSFERASE SMALL user 2 3 # 2 E 144 HIS A 147 HIS^? 14.45 O3 SO4 A 243 E 174 ASP A 107 ASP^? 18.51 O1 SO4 A 243 E 404 TYR A 222 TYR^? 7.75 O4 SO4 A 243 coo -7.53-107.59 75.19 -8.14-106.04 76.47 22.73 1.14 -3.20 21.31 1.29 -4.76 coo -3.55-105.39 83.13 -5.21-106.24 82.09 23.22 -6.70 -8.91 22.86 -8.00 -10.43 coo -16.31-108.78 75.35 -14.20-107.14 76.16 23.05 0.50 5.53 21.22 0.35 7.67 ULMN 3 1ti6_c08 PYROGALLOL HYDROXYTRANSFERASE SMALL user 3 3 # 3 E 144 HIS A 229 HIS^? 22.39 O3 SO4 A 243 E 174 ASP A 199 ASP~? 23.37 O3 SO4 A 243 E 404 TYR A 189 TYR^? 26.30 O3 SO4 A 243 coo -7.53-107.59 75.19 -8.14-106.04 76.47 -0.05 2.05 -3.08 -1.62 2.78 -4.27 coo -3.55-105.39 83.13 -5.21-106.24 82.09 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 coo -16.31-108.78 75.35 -14.20-107.14 76.16 4.23 10.24 -8.72 3.02 12.25 -7.15 ULMN 3 1ti6_c08 PYROGALLOL HYDROXYTRANSFERASE SMALL user 4 3 # 4 E 144 HIS B 106 HIS^? 13.01 O3 SO4 B 243 E 174 ASP B 162 ASP.? 11.47 O3 SO4 B 243 E 404 TYR B 148 TYR^? 8.32 O1 SO4 B 243 coo -7.53-107.59 75.19 -8.14-106.04 76.47 -11.40 33.04 16.07 -11.74 35.05 16.56 coo -3.55-105.39 83.13 -5.21-106.24 82.09 -2.91 38.69 12.19 -3.85 37.85 10.43 coo -16.31-108.78 75.35 -14.20-107.14 76.16 -7.17 25.88 21.30 -4.84 26.54 19.90 ULMN 3 1ti6_c08 PYROGALLOL HYDROXYTRANSFERASE SMALL user 5 3 # 5 E 144 HIS B 147 HIS^? 14.18 O1 SO4 B 243 E 174 ASP B 107 ASP^? 18.02 O3 SO4 B 243 E 404 TYR B 222 TYR^? 7.39 O1 SO4 B 243 coo -7.53-107.59 75.19 -8.14-106.04 76.47 -10.85 21.55 16.70 -11.51 21.37 14.71 coo -3.55-105.39 83.13 -5.21-106.24 82.09 -16.27 29.29 14.31 -16.58 30.52 12.63 coo -16.31-108.78 75.35 -14.20-107.14 76.16 -3.31 22.23 21.14 -0.55 22.44 20.59 ULMN 3 1ti6_c08 PYROGALLOL HYDROXYTRANSFERASE SMALL user 6 3 # 6 E 144 HIS B 229 HIS^? 22.78 O1 SO4 B 243 E 174 ASP B 199 ASP~? 23.68 O1 SO4 B 243 E 404 TYR B 189 TYR^? 26.50 O1 SO4 B 243 coo -7.53-107.59 75.19 -8.14-106.04 76.47 0.17 20.57 -3.28 -0.12 19.82 -5.21 coo -3.55-105.39 83.13 -5.21-106.24 82.09 -3.04 28.39 -4.12 -2.88 29.28 -6.05 coo -16.31-108.78 75.35 -14.20-107.14 76.16 -6.84 12.36 -2.18 -4.84 10.46 -2.47 1ti6_c08 source 1ti6 PYROGALLOL HYDROXYTRANSFERASE SMALL SUBUNIT : 6 hits 1ti6_c08 naa= 3 ULMN 3 1ti6_c09 PYROGALLOL HYDROXYTRANSFERASE SMALL user 1 3 # 1 G 144 HIS A 106 HIS^? 13.08 O1 SO4 A 243 G 174 ASP A 162 ASP.? 11.51 O1 SO4 A 243 G 404 TYR A 148 TYR^? 8.27 O1 SO4 A 243 coo 60.48-101.16 45.95 60.56-101.20 43.85 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo 58.10-108.15 40.62 59.57-106.86 41.51 14.78 -15.75 1.96 14.18 -15.13 0.01 coo 68.57 -97.60 44.49 66.22 -98.53 43.28 25.02 -3.19 2.22 22.65 -3.79 3.58 ULMN 3 1ti6_c09 PYROGALLOL HYDROXYTRANSFERASE SMALL user 2 3 # 2 G 144 HIS A 147 HIS^? 14.45 O3 SO4 A 243 G 174 ASP A 107 ASP^? 18.51 O1 SO4 A 243 G 404 TYR A 222 TYR^? 7.75 O4 SO4 A 243 coo 60.48-101.16 45.95 60.56-101.20 43.85 22.73 1.14 -3.20 21.31 1.29 -4.76 coo 58.10-108.15 40.62 59.57-106.86 41.51 23.22 -6.70 -8.91 22.86 -8.00 -10.43 coo 68.57 -97.60 44.49 66.22 -98.53 43.28 23.05 0.50 5.53 21.22 0.35 7.67 ULMN 3 1ti6_c09 PYROGALLOL HYDROXYTRANSFERASE SMALL user 3 3 # 3 G 144 HIS A 229 HIS^? 22.39 O3 SO4 A 243 G 174 ASP A 199 ASP~? 23.37 O3 SO4 A 243 G 404 TYR A 189 TYR^? 26.30 O3 SO4 A 243 coo 60.48-101.16 45.95 60.56-101.20 43.85 -0.05 2.05 -3.08 -1.62 2.78 -4.27 coo 58.10-108.15 40.62 59.57-106.86 41.51 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 coo 68.57 -97.60 44.49 66.22 -98.53 43.28 4.23 10.24 -8.72 3.02 12.25 -7.15 ULMN 3 1ti6_c09 PYROGALLOL HYDROXYTRANSFERASE SMALL user 4 3 # 4 G 144 HIS B 106 HIS^? 13.01 O3 SO4 B 243 G 174 ASP B 162 ASP.? 11.47 O3 SO4 B 243 G 404 TYR B 148 TYR^? 8.32 O1 SO4 B 243 coo 60.48-101.16 45.95 60.56-101.20 43.85 -11.40 33.04 16.07 -11.74 35.05 16.56 coo 58.10-108.15 40.62 59.57-106.86 41.51 -2.91 38.69 12.19 -3.85 37.85 10.43 coo 68.57 -97.60 44.49 66.22 -98.53 43.28 -7.17 25.88 21.30 -4.84 26.54 19.90 ULMN 3 1ti6_c09 PYROGALLOL HYDROXYTRANSFERASE SMALL user 5 3 # 5 G 144 HIS B 147 HIS^? 14.18 O1 SO4 B 243 G 174 ASP B 107 ASP^? 18.02 O3 SO4 B 243 G 404 TYR B 222 TYR^? 7.39 O1 SO4 B 243 coo 60.48-101.16 45.95 60.56-101.20 43.85 -10.85 21.55 16.70 -11.51 21.37 14.71 coo 58.10-108.15 40.62 59.57-106.86 41.51 -16.27 29.29 14.31 -16.58 30.52 12.63 coo 68.57 -97.60 44.49 66.22 -98.53 43.28 -3.31 22.23 21.14 -0.55 22.44 20.59 ULMN 3 1ti6_c09 PYROGALLOL HYDROXYTRANSFERASE SMALL user 6 3 # 6 G 144 HIS B 229 HIS^? 22.78 O1 SO4 B 243 G 174 ASP B 199 ASP~? 23.68 O1 SO4 B 243 G 404 TYR B 189 TYR^? 26.50 O1 SO4 B 243 coo 60.48-101.16 45.95 60.56-101.20 43.85 0.17 20.57 -3.28 -0.12 19.82 -5.21 coo 58.10-108.15 40.62 59.57-106.86 41.51 -3.04 28.39 -4.12 -2.88 29.28 -6.05 coo 68.57 -97.60 44.49 66.22 -98.53 43.28 -6.84 12.36 -2.18 -4.84 10.46 -2.47 1ti6_c09 source 1ti6 PYROGALLOL HYDROXYTRANSFERASE SMALL SUBUNIT : 6 hits 1ti6_c09 naa= 3 ULMN 3 1ti6_c10 PYROGALLOL HYDROXYTRANSFERASE SMALL user 1 3 # 1 I 144 HIS A 106 HIS^? 13.08 O1 SO4 A 243 I 174 ASP A 162 ASP.? 11.51 O1 SO4 A 243 I 404 TYR A 148 TYR^? 8.27 O1 SO4 A 243 coo -12.68 -17.50 91.59 -12.79 -19.47 92.31 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo -20.27 -21.99 93.95 -18.47 -20.99 94.50 14.78 -15.75 1.96 14.18 -15.13 0.01 coo -5.95 -17.59 97.43 -7.86 -19.17 96.13 25.02 -3.19 2.22 22.65 -3.79 3.58 ULMN 3 1ti6_c10 PYROGALLOL HYDROXYTRANSFERASE SMALL user 2 3 # 2 I 144 HIS A 147 HIS^? 14.45 O3 SO4 A 243 I 174 ASP A 107 ASP^? 18.51 O1 SO4 A 243 I 404 TYR A 222 TYR^? 7.75 O4 SO4 A 243 coo -12.68 -17.50 91.59 -12.79 -19.47 92.31 22.73 1.14 -3.20 21.31 1.29 -4.76 coo -20.27 -21.99 93.95 -18.47 -20.99 94.50 23.22 -6.70 -8.91 22.86 -8.00 -10.43 coo -5.95 -17.59 97.43 -7.86 -19.17 96.13 23.05 0.50 5.53 21.22 0.35 7.67 ULMN 3 1ti6_c10 PYROGALLOL HYDROXYTRANSFERASE SMALL user 3 3 # 3 I 144 HIS A 229 HIS^? 22.39 O3 SO4 A 243 I 174 ASP A 199 ASP~? 23.37 O3 SO4 A 243 I 404 TYR A 189 TYR^? 26.30 O3 SO4 A 243 coo -12.68 -17.50 91.59 -12.79 -19.47 92.31 -0.05 2.05 -3.08 -1.62 2.78 -4.27 coo -20.27 -21.99 93.95 -18.47 -20.99 94.50 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 coo -5.95 -17.59 97.43 -7.86 -19.17 96.13 4.23 10.24 -8.72 3.02 12.25 -7.15 ULMN 3 1ti6_c10 PYROGALLOL HYDROXYTRANSFERASE SMALL user 4 3 # 4 I 144 HIS B 106 HIS^? 13.01 O3 SO4 B 243 I 174 ASP B 162 ASP.? 11.47 O3 SO4 B 243 I 404 TYR B 148 TYR^? 8.32 O1 SO4 B 243 coo -12.68 -17.50 91.59 -12.79 -19.47 92.31 -11.40 33.04 16.07 -11.74 35.05 16.56 coo -20.27 -21.99 93.95 -18.47 -20.99 94.50 -2.91 38.69 12.19 -3.85 37.85 10.43 coo -5.95 -17.59 97.43 -7.86 -19.17 96.13 -7.17 25.88 21.30 -4.84 26.54 19.90 ULMN 3 1ti6_c10 PYROGALLOL HYDROXYTRANSFERASE SMALL user 5 3 # 5 I 144 HIS B 147 HIS^? 14.18 O1 SO4 B 243 I 174 ASP B 107 ASP^? 18.02 O3 SO4 B 243 I 404 TYR B 222 TYR^? 7.39 O1 SO4 B 243 coo -12.68 -17.50 91.59 -12.79 -19.47 92.31 -10.85 21.55 16.70 -11.51 21.37 14.71 coo -20.27 -21.99 93.95 -18.47 -20.99 94.50 -16.27 29.29 14.31 -16.58 30.52 12.63 coo -5.95 -17.59 97.43 -7.86 -19.17 96.13 -3.31 22.23 21.14 -0.55 22.44 20.59 ULMN 3 1ti6_c10 PYROGALLOL HYDROXYTRANSFERASE SMALL user 6 3 # 6 I 144 HIS B 229 HIS^? 22.78 O1 SO4 B 243 I 174 ASP B 199 ASP~? 23.68 O1 SO4 B 243 I 404 TYR B 189 TYR^? 26.50 O1 SO4 B 243 coo -12.68 -17.50 91.59 -12.79 -19.47 92.31 0.17 20.57 -3.28 -0.12 19.82 -5.21 coo -20.27 -21.99 93.95 -18.47 -20.99 94.50 -3.04 28.39 -4.12 -2.88 29.28 -6.05 coo -5.95 -17.59 97.43 -7.86 -19.17 96.13 -6.84 12.36 -2.18 -4.84 10.46 -2.47 1ti6_c10 source 1ti6 PYROGALLOL HYDROXYTRANSFERASE SMALL SUBUNIT : 6 hits 1ti6_c10 naa= 3 ULMN 3 1ti6_c11 PYROGALLOL HYDROXYTRANSFERASE SMALL user 1 3 # 1 K 144 HIS A 106 HIS^? 13.08 O1 SO4 A 243 K 174 ASP A 162 ASP.? 11.51 O1 SO4 A 243 K 404 TYR A 148 TYR^? 8.27 O1 SO4 A 243 coo 100.18 26.45 -1.32 99.24 26.12 0.53 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo 102.36 30.86 6.31 102.45 29.08 5.12 14.78 -15.75 1.96 14.18 -15.13 0.01 coo 99.93 17.48 -0.85 99.14 19.86 0.39 25.02 -3.19 2.22 22.65 -3.79 3.58 ULMN 3 1ti6_c11 PYROGALLOL HYDROXYTRANSFERASE SMALL user 2 3 # 2 K 144 HIS A 147 HIS^? 14.45 O3 SO4 A 243 K 174 ASP A 107 ASP^? 18.51 O1 SO4 A 243 K 404 TYR A 222 TYR^? 7.75 O4 SO4 A 243 coo 100.18 26.45 -1.32 99.24 26.12 0.53 22.73 1.14 -3.20 21.31 1.29 -4.76 coo 102.36 30.86 6.31 102.45 29.08 5.12 23.22 -6.70 -8.91 22.86 -8.00 -10.43 coo 99.93 17.48 -0.85 99.14 19.86 0.39 23.05 0.50 5.53 21.22 0.35 7.67 ULMN 3 1ti6_c11 PYROGALLOL HYDROXYTRANSFERASE SMALL user 3 3 # 3 K 144 HIS A 229 HIS^? 22.39 O3 SO4 A 243 K 174 ASP A 199 ASP~? 23.37 O3 SO4 A 243 K 404 TYR A 189 TYR^? 26.30 O3 SO4 A 243 coo 100.18 26.45 -1.32 99.24 26.12 0.53 -0.05 2.05 -3.08 -1.62 2.78 -4.27 coo 102.36 30.86 6.31 102.45 29.08 5.12 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 coo 99.93 17.48 -0.85 99.14 19.86 0.39 4.23 10.24 -8.72 3.02 12.25 -7.15 ULMN 3 1ti6_c11 PYROGALLOL HYDROXYTRANSFERASE SMALL user 4 3 # 4 K 144 HIS B 106 HIS^? 13.01 O3 SO4 B 243 K 174 ASP B 162 ASP.? 11.47 O3 SO4 B 243 K 404 TYR B 148 TYR^? 8.32 O1 SO4 B 243 coo 100.18 26.45 -1.32 99.24 26.12 0.53 -11.40 33.04 16.07 -11.74 35.05 16.56 coo 102.36 30.86 6.31 102.45 29.08 5.12 -2.91 38.69 12.19 -3.85 37.85 10.43 coo 99.93 17.48 -0.85 99.14 19.86 0.39 -7.17 25.88 21.30 -4.84 26.54 19.90 ULMN 3 1ti6_c11 PYROGALLOL HYDROXYTRANSFERASE SMALL user 5 3 # 5 K 144 HIS B 147 HIS^? 14.18 O1 SO4 B 243 K 174 ASP B 107 ASP^? 18.02 O3 SO4 B 243 K 404 TYR B 222 TYR^? 7.39 O1 SO4 B 243 coo 100.18 26.45 -1.32 99.24 26.12 0.53 -10.85 21.55 16.70 -11.51 21.37 14.71 coo 102.36 30.86 6.31 102.45 29.08 5.12 -16.27 29.29 14.31 -16.58 30.52 12.63 coo 99.93 17.48 -0.85 99.14 19.86 0.39 -3.31 22.23 21.14 -0.55 22.44 20.59 ULMN 3 1ti6_c11 PYROGALLOL HYDROXYTRANSFERASE SMALL user 6 3 # 6 K 144 HIS B 229 HIS^? 22.78 O1 SO4 B 243 K 174 ASP B 199 ASP~? 23.68 O1 SO4 B 243 K 404 TYR B 189 TYR^? 26.50 O1 SO4 B 243 coo 100.18 26.45 -1.32 99.24 26.12 0.53 0.17 20.57 -3.28 -0.12 19.82 -5.21 coo 102.36 30.86 6.31 102.45 29.08 5.12 -3.04 28.39 -4.12 -2.88 29.28 -6.05 coo 99.93 17.48 -0.85 99.14 19.86 0.39 -6.84 12.36 -2.18 -4.84 10.46 -2.47 1ti6_c11 source 1ti6 PYROGALLOL HYDROXYTRANSFERASE SMALL SUBUNIT : 6 hits 1ti6_c11 naa= 3 ULMN 3 1tz3_c02 PUTATIVE SUGAR KINASE user 1 3 # 1 A 250 ALA A 190 ALA.? 22.76 O3 SO4 A 243 A 251 GLY A 203 GLY.? 27.18 O3 SO4 A 243 A 252 ASP A 201 ASP.? 28.67 O3 SO4 A 243 coo 27.46 -16.39 -4.13 28.50 -15.30 -4.20 5.58 4.36 -9.42 4.38 3.38 -9.16 coo 24.64 -14.61 -2.31 24.63 -15.34 -2.63 2.03 6.37 -11.80 1.98 5.78 -11.24 coo 21.52 -17.78 -4.15 20.67 -16.16 -5.23 -1.72 1.66 -11.39 -3.36 0.47 -11.68 ULMN 3 1tz3_c02 PUTATIVE SUGAR KINASE user 2 3 # 2 A 250 ALA A 190 ALA.? 22.76 O3 SO4 A 243 A 251 GLY A 203 GLY.? 27.18 O3 SO4 A 243 A 252 ASP A 204 ASP.? 25.99 O3 SO4 A 243 coo 27.46 -16.39 -4.13 28.50 -15.30 -4.20 5.58 4.36 -9.42 4.38 3.38 -9.16 coo 24.64 -14.61 -2.31 24.63 -15.34 -2.63 2.03 6.37 -11.80 1.98 5.78 -11.24 coo 21.52 -17.78 -4.15 20.67 -16.16 -5.23 0.25 4.29 -7.71 -1.48 3.39 -8.50 ULMN 3 1tz3_c02 PUTATIVE SUGAR KINASE user 3 3 # 3 A 250 ALA B 190 ALA.? 22.71 O1 SO4 B 243 A 251 GLY B 203 GLY.? 27.50 O1 SO4 B 243 A 252 ASP B 204 ASP.? 26.31 O1 SO4 B 243 coo 27.46 -16.39 -4.13 28.50 -15.30 -4.20 -8.03 18.28 -1.32 -7.18 19.41 -2.08 coo 24.64 -14.61 -2.31 24.63 -15.34 -2.63 -8.49 16.16 -5.67 -7.94 16.77 -5.44 coo 21.52 -17.78 -4.15 20.67 -16.16 -5.23 -4.03 18.39 -5.24 -3.87 19.29 -7.14 1tz3_c02 source 1tz3 PUTATIVE SUGAR KINASE : 3 hits 1tz3_c02 naa= 3 ULMN 3 1tz3_c03 PUTATIVE SUGAR KINASE user 1 3 # 1 B 250 ALA A 190 ALA.? 22.76 O3 SO4 A 243 B 251 GLY A 203 GLY.? 27.18 O3 SO4 A 243 B 252 ASP A 204 ASP.? 25.99 O3 SO4 A 243 coo 16.60 -23.26 -48.35 15.78 -24.48 -48.70 5.58 4.36 -9.42 4.38 3.38 -9.16 coo 14.17 -20.48 -49.26 14.89 -20.41 -48.91 2.03 6.37 -11.80 1.98 5.78 -11.24 coo 16.67 -17.59 -46.30 15.00 -17.34 -45.02 0.25 4.29 -7.71 -1.48 3.39 -8.50 ULMN 3 1tz3_c03 PUTATIVE SUGAR KINASE user 2 3 # 2 B 250 ALA B 190 ALA.? 22.71 O1 SO4 B 243 B 251 GLY B 203 GLY.? 27.50 O1 SO4 B 243 B 252 ASP B 204 ASP.? 26.31 O1 SO4 B 243 coo 16.60 -23.26 -48.35 15.78 -24.48 -48.70 -8.03 18.28 -1.32 -7.18 19.41 -2.08 coo 14.17 -20.48 -49.26 14.89 -20.41 -48.91 -8.49 16.16 -5.67 -7.94 16.77 -5.44 coo 16.67 -17.59 -46.30 15.00 -17.34 -45.02 -4.03 18.39 -5.24 -3.87 19.29 -7.14 1tz3_c03 source 1tz3 PUTATIVE SUGAR KINASE : 2 hits 1tz3_c03 naa= 3 ULMN 3 1uag_c01 UDP-N-ACETYLMURAMOYL-L-ALANINE-:D-GLuser 1 3 # 1 115 LYS A 183 LYS^? 12.80 O3 SO4 A 243 138 ASN A 181 ASN^? 11.66 O3 SO4 A 243 183 HIS A 167 HIS~? -3.76 O4 SO4 A 243s coo 36.44 -9.55 24.75 39.00 -9.24 20.52 15.64 9.91 6.99 14.95 7.19 11.14 coo 42.86 -4.84 22.91 42.38 -4.90 20.84 19.53 6.32 10.38 17.67 6.06 11.34 coo 43.51 -9.99 13.57 42.49 -8.60 14.69 20.59 -3.79 11.26 20.06 -1.97 10.36 1uag_c01 source 1uag UDP-N-ACETYLMURAMOYL-L-ALANINE-:D-GLUTAMATE LI: 1 hits 1uag_c01 naa= 3 ULMN 3 1uaq_c00 CYTOSINE DEAMINASE user 1 3 # 1 A 64 GLU A 194 GLU~? 19.96 O3 SO4 A 243 A 89 SER A 195 SER~? 24.26 O3 SO4 A 243 A 91 CYH A 200 CYH.? 21.90 O3 SO4 A 243 coo -18.27 -3.12 10.92 -16.30 -3.26 10.07 8.83 1.58 -7.66 9.92 2.44 -9.22 coo -16.83 -3.83 3.62 -17.28 -5.61 2.05 4.31 -1.23 -10.07 4.20 -1.50 -12.49 coo -13.84 -8.33 7.58 -13.00 -8.13 10.24 -0.03 -1.22 -8.06 2.13 0.46 -7.36 ULMN 3 1uaq_c00 CYTOSINE DEAMINASE user 2 3 # 2 A 64 GLU B 194 GLU~? 20.15 O1 SO4 B 243 A 89 SER B 195 SER~? 24.29 O1 SO4 B 243 A 91 CYH B 200 CYH.? 22.22 O1 SO4 B 243 coo -18.27 -3.12 10.92 -16.30 -3.26 10.07 -8.16 20.98 2.40 -10.14 20.22 2.52 coo -16.83 -3.83 3.62 -17.28 -5.61 2.05 -8.00 23.84 -2.71 -9.97 24.14 -3.95 coo -13.84 -8.33 7.58 -13.00 -8.13 10.24 -4.23 23.83 -5.59 -4.70 22.08 -3.39 1uaq_c00 source 1uaq CYTOSINE DEAMINASE : 2 hits 1uaq_c00 naa= 3 ULMN 3 1uaq_c01 CYTOSINE DEAMINASE user 1 3 # 1 B 64 GLU A 194 GLU~? 19.96 O3 SO4 A 243 B 89 SER A 195 SER~? 24.26 O3 SO4 A 243 B 91 CYH A 200 CYH.? 21.90 O3 SO4 A 243 coo -13.67 -17.67 21.70 -15.74 -17.78 22.24 8.83 1.58 -7.66 9.92 2.44 -9.22 coo -17.71 -23.81 20.93 -18.57 -24.92 18.94 4.31 -1.23 -10.07 4.20 -1.50 -12.49 coo -20.38 -18.31 18.13 -20.06 -15.64 18.96 -0.03 -1.22 -8.06 2.13 0.46 -7.36 ULMN 3 1uaq_c01 CYTOSINE DEAMINASE user 2 3 # 2 B 64 GLU B 194 GLU~? 20.15 O1 SO4 B 243 B 89 SER B 195 SER~? 24.29 O1 SO4 B 243 B 91 CYH B 200 CYH.? 22.22 O1 SO4 B 243 coo -13.67 -17.67 21.70 -15.74 -17.78 22.24 -8.16 20.98 2.40 -10.14 20.22 2.52 coo -17.71 -23.81 20.93 -18.57 -24.92 18.94 -8.00 23.84 -2.71 -9.97 24.14 -3.95 coo -20.38 -18.31 18.13 -20.06 -15.64 18.96 -4.23 23.83 -5.59 -4.70 22.08 -3.39 1uaq_c01 source 1uaq CYTOSINE DEAMINASE : 2 hits 1uaq_c01 naa= 3 ULMN 3 1uf7_c00 N-CARBAMYL-D-AMINO ACID AMIDOHYDROLAuser 1 3 # 1 A 46 GLU A 124 GLU.? 26.98 O1 SO4 A 243 A 126 LYS A 113 LYS~? 30.41 O3 SO4 A 243 A 171 ALA A 111 ALA.? 20.30 O3 SO4 A 243 coo 52.87 81.38 -9.32 53.05 81.09 -7.22 32.52 5.36 -11.66 30.80 6.45 -12.06 coo 51.43 89.29 -7.19 53.08 83.69 -4.74 26.35 9.86 -8.18 28.43 13.70 -12.96 coo 48.80 81.73 -5.45 50.30 81.43 -5.45 27.76 3.48 -7.30 28.50 3.97 -5.96 ULMN 3 1uf7_c00 N-CARBAMYL-D-AMINO ACID AMIDOHYDROLAuser 2 3 # 2 A 46 GLU A 194 GLU~? 19.96 O3 SO4 A 243 A 126 LYS A 196 LYS~? 24.16 O1 SO4 A 243 A 171 ALA A 190 ALA.? 22.76 O3 SO4 A 243 coo 52.87 81.38 -9.32 53.05 81.09 -7.22 8.83 1.58 -7.66 9.92 2.44 -9.22 coo 51.43 89.29 -7.19 53.08 83.69 -4.74 5.42 -4.88 -10.39 6.31 -8.43 -13.80 coo 48.80 81.73 -5.45 50.30 81.43 -5.45 5.58 4.36 -9.42 4.38 3.38 -9.16 ULMN 3 1uf7_c00 N-CARBAMYL-D-AMINO ACID AMIDOHYDROLAuser 3 3 # 3 A 46 GLU B 124 GLU.? 25.96 O1 SO4 B 243 A 126 LYS B 113 LYS~? 30.21 O1 SO4 B 243 A 171 ALA B 111 ALA.? 20.09 O1 SO4 B 243 coo 52.87 81.38 -9.32 53.05 81.09 -7.22 -22.76 17.31 20.58 -22.55 17.91 18.56 coo 51.43 89.29 -7.19 53.08 83.69 -4.74 -16.92 12.76 17.51 -22.08 8.80 17.21 coo 48.80 81.73 -5.45 50.30 81.43 -5.45 -16.83 19.12 19.18 -16.15 18.62 20.45 ULMN 3 1uf7_c00 N-CARBAMYL-D-AMINO ACID AMIDOHYDROLAuser 4 3 # 4 A 46 GLU B 194 GLU~? 20.15 O1 SO4 B 243 A 126 LYS B 196 LYS~? 22.85 O3 SO4 B 243 A 171 ALA B 190 ALA.? 22.71 O1 SO4 B 243 coo 52.87 81.38 -9.32 53.05 81.09 -7.22 -8.16 20.98 2.40 -10.14 20.22 2.52 coo 51.43 89.29 -7.19 53.08 83.69 -4.74 -8.91 27.48 -2.00 -11.17 32.01 -1.90 coo 48.80 81.73 -5.45 50.30 81.43 -5.45 -8.03 18.28 -1.32 -7.18 19.41 -2.08 1uf7_c00 source 1uf7 N-CARBAMYL-D-AMINO ACID AMIDOHYDROLASE : 4 hits 1uf7_c00 naa= 3 ULMN 3 1uf7_c01 N-CARBAMYL-D-AMINO ACID AMIDOHYDROLAuser 1 3 # 1 B 46 GLU A 124 GLU.? 26.98 O1 SO4 A 243 B 126 LYS A 113 LYS~? 30.41 O3 SO4 A 243 B 171 ALA A 111 ALA.? 20.30 O3 SO4 A 243 coo 20.47 87.42 16.54 20.16 87.17 14.45 32.52 5.36 -11.66 30.80 6.45 -12.06 coo 24.73 94.37 14.59 21.08 89.84 11.98 26.35 9.86 -8.18 28.43 13.70 -12.96 coo 24.38 86.32 12.71 22.88 86.54 12.71 27.76 3.48 -7.30 28.50 3.97 -5.96 ULMN 3 1uf7_c01 N-CARBAMYL-D-AMINO ACID AMIDOHYDROLAuser 2 3 # 2 B 46 GLU A 194 GLU~? 19.96 O3 SO4 A 243 B 126 LYS A 196 LYS~? 24.16 O1 SO4 A 243 B 171 ALA A 190 ALA.? 22.76 O3 SO4 A 243 coo 20.47 87.42 16.54 20.16 87.17 14.45 8.83 1.58 -7.66 9.92 2.44 -9.22 coo 24.73 94.37 14.59 21.08 89.84 11.98 5.42 -4.88 -10.39 6.31 -8.43 -13.80 coo 24.38 86.32 12.71 22.88 86.54 12.71 5.58 4.36 -9.42 4.38 3.38 -9.16 ULMN 3 1uf7_c01 N-CARBAMYL-D-AMINO ACID AMIDOHYDROLAuser 3 3 # 3 B 46 GLU B 124 GLU.? 25.96 O1 SO4 B 243 B 126 LYS B 113 LYS~? 30.21 O1 SO4 B 243 B 171 ALA B 111 ALA.? 20.09 O1 SO4 B 243 coo 20.47 87.42 16.54 20.16 87.17 14.45 -22.76 17.31 20.58 -22.55 17.91 18.56 coo 24.73 94.37 14.59 21.08 89.84 11.98 -16.92 12.76 17.51 -22.08 8.80 17.21 coo 24.38 86.32 12.71 22.88 86.54 12.71 -16.83 19.12 19.18 -16.15 18.62 20.45 ULMN 3 1uf7_c01 N-CARBAMYL-D-AMINO ACID AMIDOHYDROLAuser 4 3 # 4 B 46 GLU B 194 GLU~? 20.15 O1 SO4 B 243 B 126 LYS B 196 LYS~? 22.85 O3 SO4 B 243 B 171 ALA B 190 ALA.? 22.71 O1 SO4 B 243 coo 20.47 87.42 16.54 20.16 87.17 14.45 -8.16 20.98 2.40 -10.14 20.22 2.52 coo 24.73 94.37 14.59 21.08 89.84 11.98 -8.91 27.48 -2.00 -11.17 32.01 -1.90 coo 24.38 86.32 12.71 22.88 86.54 12.71 -8.03 18.28 -1.32 -7.18 19.41 -2.08 1uf7_c01 source 1uf7 N-CARBAMYL-D-AMINO ACID AMIDOHYDROLASE : 4 hits 1uf7_c01 naa= 3 ULMN 3 1uk7_c00 3.07.01.0009 user 1 3 # 1 A 103 ALA A 161 ALA.? 10.57 O1 SO4 A 243 A 224 ASP A 157 ASP~? 15.53 O1 SO4 A 243 A 252 HIS A 106 HIS^? 13.08 O1 SO4 A 243 coo 10.74 41.88 -3.62 10.55 41.61 -5.11 19.60 -14.81 1.67 20.12 -16.10 2.33 coo 7.52 49.49 -8.72 7.95 47.43 -8.44 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo 9.83 44.81 -9.44 9.32 43.66 -7.77 22.50 -10.50 -3.88 23.13 -12.51 -3.91 ULMN 3 1uk7_c00 3.07.01.0009 user 2 3 # 2 A 103 ALA A 213 ALA^? 10.00 O4 SO4 A 243 A 224 ASP A 218 ASP~? 20.27 O4 SO4 A 243 A 252 HIS A 180 HIS^? 16.73 O4 SO4 A 243 coo 10.74 41.88 -3.62 10.55 41.61 -5.11 22.60 4.81 8.44 22.43 3.32 8.50 coo 7.52 49.49 -8.72 7.95 47.43 -8.44 29.47 11.44 11.56 27.66 12.20 10.67 coo 9.83 44.81 -9.44 9.32 43.66 -7.77 23.63 8.86 13.89 25.45 9.53 13.13 ULMN 3 1uk7_c00 3.07.01.0009 user 3 3 # 3 A 103 ALA B 161 ALA.? 10.66 O3 SO4 B 243 A 224 ASP B 157 ASP~? 15.61 O3 SO4 B 243 A 252 HIS B 106 HIS^? 13.01 O3 SO4 B 243 coo 10.74 41.88 -3.62 10.55 41.61 -5.11 -5.41 37.41 16.11 -5.31 38.82 16.75 coo 7.52 49.49 -8.72 7.95 47.43 -8.44 -12.32 32.41 21.01 -13.75 33.02 22.44 coo 9.83 44.81 -9.44 9.32 43.66 -7.77 -11.40 33.04 16.07 -11.74 35.05 16.56 ULMN 3 1uk7_c00 3.07.01.0009 user 4 3 # 4 A 103 ALA B 213 ALA^? 9.77 O1 SO4 B 243 A 224 ASP B 218 ASP~? 20.31 O1 SO4 B 243 A 252 HIS B 180 HIS^? 17.04 O1 SO4 B 243 coo 10.74 41.88 -3.62 10.55 41.61 -5.11 -0.45 17.94 22.18 -0.36 19.49 22.01 coo 7.52 49.49 -8.72 7.95 47.43 -8.44 -1.00 11.19 29.58 -0.84 10.48 27.56 coo 9.83 44.81 -9.44 9.32 43.66 -7.77 3.74 13.87 25.77 2.21 13.26 27.09 1uk7_c00 source 1uk7 3.07.01.0009 : 4 hits 1uk7_c00 naa= 3 ULMN 3 1ula_c00 PURINE NUCLEOSIDE PHOSPHORYLASE (E.Cuser 1 3 # 1 86 HIS A 147 HIS^? 14.45 O3 SO4 A 243 89 GLU A 129 GLU^? 16.53 O1 SO4 A 243 243 ASN A 181 ASN^? 11.66 O3 SO4 A 243 coo 5.83 15.74 17.38 6.41 17.70 17.86 22.73 1.14 -3.20 21.31 1.29 -4.76 coo 3.11 16.19 13.44 4.96 17.09 13.42 20.62 -2.18 -6.03 20.44 -1.20 -7.86 coo 0.53 21.81 31.33 1.05 20.47 29.70 19.53 6.32 10.38 17.67 6.06 11.34 ULMN 3 1ula_c00 PURINE NUCLEOSIDE PHOSPHORYLASE (E.Cuser 2 3 # 2 86 HIS A 147 HIS^? 14.45 O3 SO4 A 243 89 GLU A 129 GLU^? 16.53 O1 SO4 A 243 243 ASN A 186 ASN^? 21.74 O3 SO4 A 243 coo 5.83 15.74 17.38 6.41 17.70 17.86 22.73 1.14 -3.20 21.31 1.29 -4.76 coo 3.11 16.19 13.44 4.96 17.09 13.42 20.62 -2.18 -6.03 20.44 -1.20 -7.86 coo 0.53 21.81 31.33 1.05 20.47 29.70 9.75 12.61 -1.00 11.18 14.16 -0.53 ULMN 3 1ula_c00 PURINE NUCLEOSIDE PHOSPHORYLASE (E.Cuser 3 3 # 3 86 HIS B 147 HIS^? 14.18 O1 SO4 B 243 89 GLU B 129 GLU^? 16.54 O1 SO4 B 243 243 ASN B 181 ASN^? 11.58 O1 SO4 B 243 coo 5.83 15.74 17.38 6.41 17.70 17.86 -10.85 21.55 16.70 -11.51 21.37 14.71 coo 3.11 16.19 13.44 4.96 17.09 13.42 -12.39 24.89 13.45 -13.91 23.80 12.41 coo 0.53 21.81 31.33 1.05 20.47 29.70 2.76 16.58 20.36 4.48 16.80 19.15 ULMN 3 1ula_c00 PURINE NUCLEOSIDE PHOSPHORYLASE (E.Cuser 4 3 # 4 86 HIS B 147 HIS^? 14.18 O1 SO4 B 243 89 GLU B 129 GLU^? 16.54 O1 SO4 B 243 243 ASN B 186 ASN^? 21.89 O1 SO4 B 243 coo 5.83 15.74 17.38 6.41 17.70 17.86 -10.85 21.55 16.70 -11.51 21.37 14.71 coo 3.11 16.19 13.44 4.96 17.09 13.42 -12.39 24.89 13.45 -13.91 23.80 12.41 coo 0.53 21.81 31.33 1.05 20.47 29.70 -2.69 10.01 6.36 -2.94 8.50 7.82 1ula_c00 source 1ula PURINE NUCLEOSIDE PHOSPHORYLASE (E.C.2.4.2.1) : 4 hits 1ula_c00 naa= 3 ULMN 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 1 3 # 1 199 ASP A 137 ASP.? 20.28 O2 SO4 A 243 218 GLU B 194 GLU~? 20.15 O1 SO4 B 243 329 ASP A 199 ASP~? 23.37 O3 SO4 A 243 coo 49.16 35.16 15.19 51.08 34.43 15.65 -1.53 -10.78 4.66 -2.79 -9.50 3.60 coo 70.09 11.71 8.46 70.56 12.89 6.77 -8.16 20.98 2.40 -10.14 20.22 2.52 coo 59.16 37.82 13.95 57.63 37.03 15.12 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 ULMN 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 2 3 # 2 199 ASP A 138 ASP.? 20.83 O2 SO4 A 243 218 GLU B 194 GLU~? 20.15 O1 SO4 B 243 329 ASP A 199 ASP~? 23.37 O3 SO4 A 243 coo 49.16 35.16 15.19 51.08 34.43 15.65 -1.07 -12.13 0.13 -1.24 -14.06 1.00 coo 70.09 11.71 8.46 70.56 12.89 6.77 -8.16 20.98 2.40 -10.14 20.22 2.52 coo 59.16 37.82 13.95 57.63 37.03 15.12 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 ULMN 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 3 3 # 3 199 ASP A 199 ASP~? 23.37 O3 SO4 A 243 218 GLU A 117 GLU~? 25.40 O3 SO4 A 243 329 ASP A 204 ASP.? 25.99 O3 SO4 A 243 coo 49.16 35.16 15.19 51.08 34.43 15.65 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 coo 70.09 11.71 8.46 70.56 12.89 6.77 27.34 13.07 -4.01 26.27 14.77 -4.79 coo 59.16 37.82 13.95 57.63 37.03 15.12 0.25 4.29 -7.71 -1.48 3.39 -8.50 ULMN 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 4 3 # 4 199 ASP A 199 ASP~? 23.37 O3 SO4 A 243 218 GLU B 85 GLU.? 16.99 O4 SO4 B 243 329 ASP A 201 ASP.? 28.67 O3 SO4 A 243 coo 49.16 35.16 15.19 51.08 34.43 15.65 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 coo 70.09 11.71 8.46 70.56 12.89 6.77 9.76 23.94 2.05 8.62 25.57 1.44 coo 59.16 37.82 13.95 57.63 37.03 15.12 -1.72 1.66 -11.39 -3.36 0.47 -11.68 ULMN 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 5 3 # 5 199 ASP B 137 ASP.? 20.11 O4 SO4 B 243 218 GLU A 194 GLU~? 19.96 O3 SO4 A 243 329 ASP B 199 ASP~? 23.68 O1 SO4 B 243 coo 49.16 35.16 15.19 51.08 34.43 15.65 7.58 33.13 -0.50 7.13 32.43 -2.48 coo 70.09 11.71 8.46 70.56 12.89 6.77 8.83 1.58 -7.66 9.92 2.44 -9.22 coo 59.16 37.82 13.95 57.63 37.03 15.12 -3.04 28.39 -4.12 -2.88 29.28 -6.05 ULMN 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 6 3 # 6 199 ASP B 199 ASP~? 23.68 O1 SO4 B 243 218 GLU A 85 GLU^? 18.44 O3 SO4 A 243 329 ASP B 201 ASP.? 28.94 O1 SO4 B 243 coo 49.16 35.16 15.19 51.08 34.43 15.65 -3.04 28.39 -4.12 -2.88 29.28 -6.05 coo 70.09 11.71 8.46 70.56 12.89 6.77 -1.14 -2.38 7.04 -1.17 -2.16 4.90 coo 59.16 37.82 13.95 57.63 37.03 15.12 -6.53 20.97 -8.85 -5.67 22.23 -10.32 ULMN 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 7 3 # 7 199 ASP B 199 ASP~? 23.68 O1 SO4 B 243 218 GLU A 117 GLU~? 25.40 O3 SO4 A 243 329 ASP B 137 ASP.? 20.11 O4 SO4 B 243 coo 49.16 35.16 15.19 51.08 34.43 15.65 -3.04 28.39 -4.12 -2.88 29.28 -6.05 coo 70.09 11.71 8.46 70.56 12.89 6.77 27.34 13.07 -4.01 26.27 14.77 -4.79 coo 59.16 37.82 13.95 57.63 37.03 15.12 7.58 33.13 -0.50 7.13 32.43 -2.48 ULMN 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 8 3 # 8 199 ASP B 199 ASP~? 23.68 O1 SO4 B 243 218 GLU B 117 GLU~? 24.79 O1 SO4 B 243 329 ASP B 204 ASP.? 26.31 O1 SO4 B 243 coo 49.16 35.16 15.19 51.08 34.43 15.65 -3.04 28.39 -4.12 -2.88 29.28 -6.05 coo 70.09 11.71 8.46 70.56 12.89 6.77 -13.76 9.47 20.61 -15.59 10.28 21.49 coo 59.16 37.82 13.95 57.63 37.03 15.12 -4.03 18.39 -5.24 -3.87 19.29 -7.14 1uok_c04 source 1uok OLIGO-1,6-GLUCOSIDASE : 8 hits 1uok_c04 naa= 3 ULMN 3 1uok_c05 OLIGO-1,6-GLUCOSIDASE user 1 3 # 1 199 ASP A 204 ASP.? 25.99 O3 SO4 A 243 242 GLU B 194 GLU~? 20.15 O1 SO4 B 243 329 ASP A 199 ASP~? 23.37 O3 SO4 A 243 coo 49.16 35.16 15.19 51.08 34.43 15.65 0.25 4.29 -7.71 -1.48 3.39 -8.50 coo 30.42 34.74 5.00 29.09 35.09 3.38 -8.16 20.98 2.40 -10.14 20.22 2.52 coo 59.16 37.82 13.95 57.63 37.03 15.12 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 ULMN 3 1uok_c05 OLIGO-1,6-GLUCOSIDASE user 2 3 # 2 199 ASP B 204 ASP.? 26.31 O1 SO4 B 243 242 GLU A 194 GLU~? 19.96 O3 SO4 A 243 329 ASP B 199 ASP~? 23.68 O1 SO4 B 243 coo 49.16 35.16 15.19 51.08 34.43 15.65 -4.03 18.39 -5.24 -3.87 19.29 -7.14 coo 30.42 34.74 5.00 29.09 35.09 3.38 8.83 1.58 -7.66 9.92 2.44 -9.22 coo 59.16 37.82 13.95 57.63 37.03 15.12 -3.04 28.39 -4.12 -2.88 29.28 -6.05 1uok_c05 source 1uok OLIGO-1,6-GLUCOSIDASE : 2 hits 1uok_c05 naa= 3 ULMN 3 1vq1_c01 N5-GLUTAMINE METHYLTRANSFERASE, HEMKuser 1 3 # 1 B 100 PHE A 214 PHE^? 16.42 O4 SO4 A 243 B 197 ASN A 181 ASN^? 11.66 O3 SO4 A 243 B 198 PRO A 178 PRO.? 9.19 O4 SO4 A 243 coo 15.92 -14.38 -0.49 15.85 -16.40 -2.42 25.42 8.26 9.60 24.80 10.09 7.51 coo 21.71 -15.65 -5.30 19.75 -16.44 -5.47 19.53 6.32 10.38 17.67 6.06 11.34 coo 21.24 -11.77 -9.43 20.56 -12.14 -7.31 23.02 0.32 12.27 24.77 1.09 13.57 ULMN 3 1vq1_c01 N5-GLUTAMINE METHYLTRANSFERASE, HEMKuser 2 3 # 2 B 100 PHE B 214 PHE^? 16.19 O1 SO4 B 243 B 197 ASN B 181 ASN^? 11.58 O1 SO4 B 243 B 198 PRO B 178 PRO.? 9.51 O2 SO4 B 243 coo 15.92 -14.38 -0.49 15.85 -16.40 -2.42 -0.87 14.52 25.18 -2.34 12.71 23.57 coo 21.71 -15.65 -5.30 19.75 -16.44 -5.47 2.76 16.58 20.36 4.48 16.80 19.15 coo 21.24 -11.77 -9.43 20.56 -12.14 -7.31 2.66 22.51 24.43 2.92 21.74 26.55 1vq1_c01 source 1vq1 N5-GLUTAMINE METHYLTRANSFERASE, HEMK : 2 hits 1vq1_c01 naa= 3 ULMN 3 1vzx_c02 2.04.01.0087 user 1 3 # 1 A 314 TYR A 197 TYR~? 17.30 O1 SO4 A 243 A 317 GLU A 193 GLU~? 18.22 O3 SO4 A 243 A 365 ARG A 132 ARG^? -2.74 O1 SO4 A 243s coo 1.77 6.56 57.05 3.05 7.44 59.37 9.27 -5.67 -7.32 11.22 -6.86 -8.96 coo 3.06 2.85 52.79 4.83 3.89 53.24 11.64 -2.46 -10.15 13.74 -2.34 -9.81 coo 3.82 17.09 49.56 4.09 14.32 50.84 16.18 -7.91 2.07 16.78 -6.68 4.89 ULMN 3 1vzx_c02 2.04.01.0087 user 2 3 # 2 A 314 TYR A 197 TYR~? 17.30 O1 SO4 A 243 A 317 GLU A 193 GLU~? 18.22 O3 SO4 A 243 A 365 ARG A 232 ARG.? 20.27 O3 SO4 A 243 coo 1.77 6.56 57.05 3.05 7.44 59.37 9.27 -5.67 -7.32 11.22 -6.86 -8.96 coo 3.06 2.85 52.79 4.83 3.89 53.24 11.64 -2.46 -10.15 13.74 -2.34 -9.81 coo 3.82 17.09 49.56 4.09 14.32 50.84 -0.55 -1.37 -0.24 0.04 -2.25 -3.11 ULMN 3 1vzx_c02 2.04.01.0087 user 3 3 # 3 A 314 TYR A 197 TYR~? 17.30 O1 SO4 A 243 A 317 GLU A 194 GLU~? 19.96 O3 SO4 A 243 A 365 ARG A 132 ARG^? -2.74 O1 SO4 A 243s coo 1.77 6.56 57.05 3.05 7.44 59.37 9.27 -5.67 -7.32 11.22 -6.86 -8.96 coo 3.06 2.85 52.79 4.83 3.89 53.24 8.83 1.58 -7.66 9.92 2.44 -9.22 coo 3.82 17.09 49.56 4.09 14.32 50.84 16.18 -7.91 2.07 16.78 -6.68 4.89 ULMN 3 1vzx_c02 2.04.01.0087 user 4 3 # 4 A 314 TYR B 197 TYR~? 17.25 O3 SO4 B 243 A 317 GLU B 193 GLU~? 18.43 O1 SO4 B 243 A 365 ARG B 132 ARG^? -2.94 O3 SO4 B 243s coo 1.77 6.56 57.05 3.05 7.44 59.37 -8.04 28.46 2.86 -10.26 29.82 3.98 coo 3.06 2.85 52.79 4.83 3.89 53.24 -11.89 25.08 3.55 -12.49 24.58 5.53 coo 3.82 17.09 49.56 4.09 14.32 50.84 -3.03 30.55 13.28 -1.00 29.32 15.28 ULMN 3 1vzx_c02 2.04.01.0087 user 5 3 # 5 A 314 TYR B 197 TYR~? 17.25 O3 SO4 B 243 A 317 GLU B 193 GLU~? 18.43 O1 SO4 B 243 A 365 ARG B 232 ARG.? 20.69 O1 SO4 B 243 coo 1.77 6.56 57.05 3.05 7.44 59.37 -8.04 28.46 2.86 -10.26 29.82 3.98 coo 3.06 2.85 52.79 4.83 3.89 53.24 -11.89 25.08 3.55 -12.49 24.58 5.53 coo 3.82 17.09 49.56 4.09 14.32 50.84 2.95 23.97 -2.41 0.09 24.88 -3.25 ULMN 3 1vzx_c02 2.04.01.0087 user 6 3 # 6 A 314 TYR B 197 TYR~? 17.25 O3 SO4 B 243 A 317 GLU B 194 GLU~? 20.15 O1 SO4 B 243 A 365 ARG B 132 ARG^? -2.94 O3 SO4 B 243s coo 1.77 6.56 57.05 3.05 7.44 59.37 -8.04 28.46 2.86 -10.26 29.82 3.98 coo 3.06 2.85 52.79 4.83 3.89 53.24 -8.16 20.98 2.40 -10.14 20.22 2.52 coo 3.82 17.09 49.56 4.09 14.32 50.84 -3.03 30.55 13.28 -1.00 29.32 15.28 1vzx_c02 source 1vzx 2.04.01.0087 : 6 hits 1vzx_c02 naa= 3 ULMN 3 1vzx_c03 2.04.01.0087 user 1 3 # 1 B1314 TYR A 197 TYR~? 17.30 O1 SO4 A 243 B1317 GLU A 193 GLU~? 18.22 O3 SO4 A 243 B1365 ARG A 132 ARG^? -2.74 O1 SO4 A 243s coo 13.32 10.15 -9.20 12.07 11.36 -11.38 9.27 -5.67 -7.32 11.22 -6.86 -8.96 coo 12.13 5.84 -5.49 10.31 6.88 -5.76 11.64 -2.46 -10.15 13.74 -2.34 -9.81 coo 11.24 19.69 -0.67 10.92 17.07 -2.21 16.18 -7.91 2.07 16.78 -6.68 4.89 ULMN 3 1vzx_c03 2.04.01.0087 user 2 3 # 2 B1314 TYR A 197 TYR~? 17.30 O1 SO4 A 243 B1317 GLU A 193 GLU~? 18.22 O3 SO4 A 243 B1365 ARG A 232 ARG.? 20.27 O3 SO4 A 243 coo 13.32 10.15 -9.20 12.07 11.36 -11.38 9.27 -5.67 -7.32 11.22 -6.86 -8.96 coo 12.13 5.84 -5.49 10.31 6.88 -5.76 11.64 -2.46 -10.15 13.74 -2.34 -9.81 coo 11.24 19.69 -0.67 10.92 17.07 -2.21 -0.55 -1.37 -0.24 0.04 -2.25 -3.11 ULMN 3 1vzx_c03 2.04.01.0087 user 3 3 # 3 B1314 TYR A 197 TYR~? 17.30 O1 SO4 A 243 B1317 GLU A 194 GLU~? 19.96 O3 SO4 A 243 B1365 ARG A 132 ARG^? -2.74 O1 SO4 A 243s coo 13.32 10.15 -9.20 12.07 11.36 -11.38 9.27 -5.67 -7.32 11.22 -6.86 -8.96 coo 12.13 5.84 -5.49 10.31 6.88 -5.76 8.83 1.58 -7.66 9.92 2.44 -9.22 coo 11.24 19.69 -0.67 10.92 17.07 -2.21 16.18 -7.91 2.07 16.78 -6.68 4.89 ULMN 3 1vzx_c03 2.04.01.0087 user 4 3 # 4 B1314 TYR B 197 TYR~? 17.25 O3 SO4 B 243 B1317 GLU B 193 GLU~? 18.43 O1 SO4 B 243 B1365 ARG B 132 ARG^? -2.94 O3 SO4 B 243s coo 13.32 10.15 -9.20 12.07 11.36 -11.38 -8.04 28.46 2.86 -10.26 29.82 3.98 coo 12.13 5.84 -5.49 10.31 6.88 -5.76 -11.89 25.08 3.55 -12.49 24.58 5.53 coo 11.24 19.69 -0.67 10.92 17.07 -2.21 -3.03 30.55 13.28 -1.00 29.32 15.28 ULMN 3 1vzx_c03 2.04.01.0087 user 5 3 # 5 B1314 TYR B 197 TYR~? 17.25 O3 SO4 B 243 B1317 GLU B 193 GLU~? 18.43 O1 SO4 B 243 B1365 ARG B 232 ARG.? 20.69 O1 SO4 B 243 coo 13.32 10.15 -9.20 12.07 11.36 -11.38 -8.04 28.46 2.86 -10.26 29.82 3.98 coo 12.13 5.84 -5.49 10.31 6.88 -5.76 -11.89 25.08 3.55 -12.49 24.58 5.53 coo 11.24 19.69 -0.67 10.92 17.07 -2.21 2.95 23.97 -2.41 0.09 24.88 -3.25 ULMN 3 1vzx_c03 2.04.01.0087 user 6 3 # 6 B1314 TYR B 197 TYR~? 17.25 O3 SO4 B 243 B1317 GLU B 194 GLU~? 20.15 O1 SO4 B 243 B1365 ARG B 132 ARG^? -2.94 O3 SO4 B 243s coo 13.32 10.15 -9.20 12.07 11.36 -11.38 -8.04 28.46 2.86 -10.26 29.82 3.98 coo 12.13 5.84 -5.49 10.31 6.88 -5.76 -8.16 20.98 2.40 -10.14 20.22 2.52 coo 11.24 19.69 -0.67 10.92 17.07 -2.21 -3.03 30.55 13.28 -1.00 29.32 15.28 1vzx_c03 source 1vzx 2.04.01.0087 : 6 hits 1vzx_c03 naa= 3 ULMN 3 1vzz_c00 STEROID DELTA-ISOMERASE user 1 3 # 1 A 16 TYR A 148 TYR^? 8.27 O1 SO4 A 243 A 40 ASP A 107 ASP^? 18.51 O1 SO4 A 243 A 103 LEU A 130 LEU^? 7.88 O1 SO4 A 243 coo 12.09 16.13 10.57 11.28 18.80 10.73 25.02 -3.19 2.22 22.65 -3.79 3.58 coo 7.55 25.51 14.34 9.65 25.73 14.24 23.22 -6.70 -8.91 22.86 -8.00 -10.43 coo 11.83 18.73 16.99 10.99 19.71 15.26 20.36 -5.60 -0.86 19.43 -7.11 0.44 ULMN 3 1vzz_c00 STEROID DELTA-ISOMERASE user 2 3 # 2 A 16 TYR A 148 TYR^? 8.27 O1 SO4 A 243 A 40 ASP A 168 ASP~? 7.04 O4 SO4 A 243 A 103 LEU A 170 LEU~? 7.74 O4 SO4 A 243 coo 12.09 16.13 10.57 11.28 18.80 10.73 25.02 -3.19 2.22 22.65 -3.79 3.58 coo 7.55 25.51 14.34 9.65 25.73 14.24 22.19 -10.44 12.27 20.99 -10.59 13.96 coo 11.83 18.73 16.99 10.99 19.71 15.26 26.28 -4.82 9.90 25.92 -3.56 8.13 ULMN 3 1vzz_c00 STEROID DELTA-ISOMERASE user 3 3 # 3 A 16 TYR A 174 TYR~? 13.06 O4 SO4 A 243 A 40 ASP A 168 ASP~? 7.04 O4 SO4 A 243 A 103 LEU A 170 LEU~? 7.74 O4 SO4 A 243 coo 12.09 16.13 10.57 11.28 18.80 10.73 31.39 -6.57 8.03 31.19 -7.97 5.66 coo 7.55 25.51 14.34 9.65 25.73 14.24 22.19 -10.44 12.27 20.99 -10.59 13.96 coo 11.83 18.73 16.99 10.99 19.71 15.26 26.28 -4.82 9.90 25.92 -3.56 8.13 ULMN 3 1vzz_c00 STEROID DELTA-ISOMERASE user 4 3 # 4 A 16 TYR A 222 TYR^? 7.75 O4 SO4 A 243 A 40 ASP A 168 ASP~? 7.04 O4 SO4 A 243 A 103 LEU A 170 LEU~? 7.74 O4 SO4 A 243 coo 12.09 16.13 10.57 11.28 18.80 10.73 23.05 0.50 5.53 21.22 0.35 7.67 coo 7.55 25.51 14.34 9.65 25.73 14.24 22.19 -10.44 12.27 20.99 -10.59 13.96 coo 11.83 18.73 16.99 10.99 19.71 15.26 26.28 -4.82 9.90 25.92 -3.56 8.13 ULMN 3 1vzz_c00 STEROID DELTA-ISOMERASE user 5 3 # 5 A 16 TYR B 135 TYR^? 15.04 O4 SO4 B 243 A 40 ASP B 199 ASP~? 23.68 O1 SO4 B 243 A 103 LEU B 141 LEU^? 14.30 O4 SO4 B 243 coo 12.09 16.13 10.57 11.28 18.80 10.73 1.17 32.43 2.94 -1.52 32.86 2.35 coo 7.55 25.51 14.34 9.65 25.73 14.24 -3.04 28.39 -4.12 -2.88 29.28 -6.05 coo 11.83 18.73 16.99 10.99 19.71 15.26 4.07 26.44 3.30 5.85 25.23 3.32 ULMN 3 1vzz_c00 STEROID DELTA-ISOMERASE user 6 3 # 6 A 16 TYR B 148 TYR^? 8.32 O1 SO4 B 243 A 40 ASP B 107 ASP^? 18.02 O3 SO4 B 243 A 103 LEU B 130 LEU^? 7.99 O3 SO4 B 243 coo 12.09 16.13 10.57 11.28 18.80 10.73 -7.17 25.88 21.30 -4.84 26.54 19.90 coo 7.55 25.51 14.34 9.65 25.73 14.24 -16.27 29.29 14.31 -16.58 30.52 12.63 coo 11.83 18.73 16.99 10.99 19.71 15.26 -7.71 28.25 15.68 -6.15 29.78 15.51 ULMN 3 1vzz_c00 STEROID DELTA-ISOMERASE user 7 3 # 7 A 16 TYR B 148 TYR^? 8.32 O1 SO4 B 243 A 40 ASP B 168 ASP~? 6.50 O2 SO4 B 243 A 103 LEU B 170 LEU~? 7.92 O2 SO4 B 243 coo 12.09 16.13 10.57 11.28 18.80 10.73 -7.17 25.88 21.30 -4.84 26.54 19.90 coo 7.55 25.51 14.34 9.65 25.73 14.24 3.03 33.25 23.92 5.06 33.14 23.36 coo 11.83 18.73 16.99 10.99 19.71 15.26 -1.15 27.56 26.06 -2.58 26.40 24.91 ULMN 3 1vzz_c00 STEROID DELTA-ISOMERASE user 8 3 # 8 A 16 TYR B 174 TYR~? 13.14 O2 SO4 B 243 A 40 ASP B 168 ASP~? 6.50 O2 SO4 B 243 A 103 LEU B 170 LEU~? 7.92 O2 SO4 B 243 coo 12.09 16.13 10.57 11.28 18.80 10.73 -5.23 29.34 29.67 -7.24 30.79 28.42 coo 7.55 25.51 14.34 9.65 25.73 14.24 3.03 33.25 23.92 5.06 33.14 23.36 coo 11.83 18.73 16.99 10.99 19.71 15.26 -1.15 27.56 26.06 -2.58 26.40 24.91 ULMN 3 1vzz_c00 STEROID DELTA-ISOMERASE user 9 3 # 9 A 16 TYR B 222 TYR^? 7.39 O1 SO4 B 243 A 40 ASP B 168 ASP~? 6.50 O2 SO4 B 243 A 103 LEU B 170 LEU~? 7.92 O2 SO4 B 243 coo 12.09 16.13 10.57 11.28 18.80 10.73 -3.31 22.23 21.14 -0.55 22.44 20.59 coo 7.55 25.51 14.34 9.65 25.73 14.24 3.03 33.25 23.92 5.06 33.14 23.36 coo 11.83 18.73 16.99 10.99 19.71 15.26 -1.15 27.56 26.06 -2.58 26.40 24.91 1vzz_c00 source 1vzz STEROID DELTA-ISOMERASE : 9 hits 1vzz_c00 naa= 3 ULMN 3 1vzz_c01 STEROID DELTA-ISOMERASE user 1 3 # 1 B 16 TYR A 148 TYR^? 8.27 O1 SO4 A 243 B 40 ASP A 107 ASP^? 18.51 O1 SO4 A 243 B 103 LEU A 130 LEU^? 7.88 O1 SO4 A 243 coo 14.25 20.09 37.35 13.48 17.40 37.38 25.02 -3.19 2.22 22.65 -3.79 3.58 coo 9.39 10.77 34.53 11.50 10.63 34.41 23.22 -6.70 -8.91 22.86 -8.00 -10.43 coo 12.89 17.60 31.13 12.34 16.51 32.90 20.36 -5.60 -0.86 19.43 -7.11 0.44 ULMN 3 1vzz_c01 STEROID DELTA-ISOMERASE user 2 3 # 2 B 16 TYR A 148 TYR^? 8.27 O1 SO4 A 243 B 40 ASP A 168 ASP~? 7.04 O4 SO4 A 243 B 103 LEU A 170 LEU~? 7.74 O4 SO4 A 243 coo 14.25 20.09 37.35 13.48 17.40 37.38 25.02 -3.19 2.22 22.65 -3.79 3.58 coo 9.39 10.77 34.53 11.50 10.63 34.41 22.19 -10.44 12.27 20.99 -10.59 13.96 coo 12.89 17.60 31.13 12.34 16.51 32.90 26.28 -4.82 9.90 25.92 -3.56 8.13 ULMN 3 1vzz_c01 STEROID DELTA-ISOMERASE user 3 3 # 3 B 16 TYR A 174 TYR~? 13.06 O4 SO4 A 243 B 40 ASP A 168 ASP~? 7.04 O4 SO4 A 243 B 103 LEU A 170 LEU~? 7.74 O4 SO4 A 243 coo 14.25 20.09 37.35 13.48 17.40 37.38 31.39 -6.57 8.03 31.19 -7.97 5.66 coo 9.39 10.77 34.53 11.50 10.63 34.41 22.19 -10.44 12.27 20.99 -10.59 13.96 coo 12.89 17.60 31.13 12.34 16.51 32.90 26.28 -4.82 9.90 25.92 -3.56 8.13 ULMN 3 1vzz_c01 STEROID DELTA-ISOMERASE user 4 3 # 4 B 16 TYR A 222 TYR^? 7.75 O4 SO4 A 243 B 40 ASP A 168 ASP~? 7.04 O4 SO4 A 243 B 103 LEU A 170 LEU~? 7.74 O4 SO4 A 243 coo 14.25 20.09 37.35 13.48 17.40 37.38 23.05 0.50 5.53 21.22 0.35 7.67 coo 9.39 10.77 34.53 11.50 10.63 34.41 22.19 -10.44 12.27 20.99 -10.59 13.96 coo 12.89 17.60 31.13 12.34 16.51 32.90 26.28 -4.82 9.90 25.92 -3.56 8.13 ULMN 3 1vzz_c01 STEROID DELTA-ISOMERASE user 5 3 # 5 B 16 TYR B 148 TYR^? 8.32 O1 SO4 B 243 B 40 ASP B 107 ASP^? 18.02 O3 SO4 B 243 B 103 LEU B 130 LEU^? 7.99 O3 SO4 B 243 coo 14.25 20.09 37.35 13.48 17.40 37.38 -7.17 25.88 21.30 -4.84 26.54 19.90 coo 9.39 10.77 34.53 11.50 10.63 34.41 -16.27 29.29 14.31 -16.58 30.52 12.63 coo 12.89 17.60 31.13 12.34 16.51 32.90 -7.71 28.25 15.68 -6.15 29.78 15.51 ULMN 3 1vzz_c01 STEROID DELTA-ISOMERASE user 6 3 # 6 B 16 TYR B 148 TYR^? 8.32 O1 SO4 B 243 B 40 ASP B 168 ASP~? 6.50 O2 SO4 B 243 B 103 LEU B 170 LEU~? 7.92 O2 SO4 B 243 coo 14.25 20.09 37.35 13.48 17.40 37.38 -7.17 25.88 21.30 -4.84 26.54 19.90 coo 9.39 10.77 34.53 11.50 10.63 34.41 3.03 33.25 23.92 5.06 33.14 23.36 coo 12.89 17.60 31.13 12.34 16.51 32.90 -1.15 27.56 26.06 -2.58 26.40 24.91 ULMN 3 1vzz_c01 STEROID DELTA-ISOMERASE user 7 3 # 7 B 16 TYR B 174 TYR~? 13.14 O2 SO4 B 243 B 40 ASP B 168 ASP~? 6.50 O2 SO4 B 243 B 103 LEU B 170 LEU~? 7.92 O2 SO4 B 243 coo 14.25 20.09 37.35 13.48 17.40 37.38 -5.23 29.34 29.67 -7.24 30.79 28.42 coo 9.39 10.77 34.53 11.50 10.63 34.41 3.03 33.25 23.92 5.06 33.14 23.36 coo 12.89 17.60 31.13 12.34 16.51 32.90 -1.15 27.56 26.06 -2.58 26.40 24.91 1vzz_c01 source 1vzz STEROID DELTA-ISOMERASE : 7 hits 1vzz_c01 naa= 3 ULMN 3 1xqw_c00 PROLINE IMINOPEPTIDASE user 1 3 # 1 A 105 ALA A 161 ALA.? 10.57 O1 SO4 A 243 A 244 ASP A 157 ASP~? 15.53 O1 SO4 A 243 A 271 HIS A 106 HIS^? 13.08 O1 SO4 A 243 coo 15.05 3.71 6.93 14.58 4.88 7.78 19.60 -14.81 1.67 20.12 -16.10 2.33 coo 9.85 8.15 0.76 10.61 7.04 2.39 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo 10.61 7.65 6.01 12.39 6.55 6.23 22.50 -10.50 -3.88 23.13 -12.51 -3.91 ULMN 3 1xqw_c00 PROLINE IMINOPEPTIDASE user 2 3 # 2 A 105 ALA A 213 ALA^? 10.00 O4 SO4 A 243 A 244 ASP A 218 ASP~? 20.27 O4 SO4 A 243 A 271 HIS A 180 HIS^? 16.73 O4 SO4 A 243 coo 15.05 3.71 6.93 14.58 4.88 7.78 22.60 4.81 8.44 22.43 3.32 8.50 coo 9.85 8.15 0.76 10.61 7.04 2.39 29.47 11.44 11.56 27.66 12.20 10.67 coo 10.61 7.65 6.01 12.39 6.55 6.23 23.63 8.86 13.89 25.45 9.53 13.13 ULMN 3 1xqw_c00 PROLINE IMINOPEPTIDASE user 3 3 # 3 A 105 ALA B 161 ALA.? 10.66 O3 SO4 B 243 A 244 ASP B 157 ASP~? 15.61 O3 SO4 B 243 A 271 HIS B 106 HIS^? 13.01 O3 SO4 B 243 coo 15.05 3.71 6.93 14.58 4.88 7.78 -5.41 37.41 16.11 -5.31 38.82 16.75 coo 9.85 8.15 0.76 10.61 7.04 2.39 -12.32 32.41 21.01 -13.75 33.02 22.44 coo 10.61 7.65 6.01 12.39 6.55 6.23 -11.40 33.04 16.07 -11.74 35.05 16.56 ULMN 3 1xqw_c00 PROLINE IMINOPEPTIDASE user 4 3 # 4 A 105 ALA B 213 ALA^? 9.77 O1 SO4 B 243 A 244 ASP B 218 ASP~? 20.31 O1 SO4 B 243 A 271 HIS B 180 HIS^? 17.04 O1 SO4 B 243 coo 15.05 3.71 6.93 14.58 4.88 7.78 -0.45 17.94 22.18 -0.36 19.49 22.01 coo 9.85 8.15 0.76 10.61 7.04 2.39 -1.00 11.19 29.58 -0.84 10.48 27.56 coo 10.61 7.65 6.01 12.39 6.55 6.23 3.74 13.87 25.77 2.21 13.26 27.09 1xqw_c00 source 1xqw PROLINE IMINOPEPTIDASE : 4 hits 1xqw_c00 naa= 3 ULMN 3 1ybv_c00 TRIHYDROXYNAPHTHALENE REDUCTASE user 1 3 # 1 A 164 SER A 105 SER^? 14.75 O1 SO4 A 243 A 178 TYR A 197 TYR~? 17.30 O1 SO4 A 243 A 182 LYS A 131 LYS^? 17.03 O1 SO4 A 243 coo 81.46 10.53 21.66 82.20 10.82 19.39 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo 87.67 8.69 17.10 86.62 10.83 18.52 9.27 -5.67 -7.32 11.22 -6.86 -8.96 coo 85.30 6.17 22.83 87.26 11.02 23.50 16.33 -5.43 -3.31 16.51 -3.10 -9.13 ULMN 3 1ybv_c00 TRIHYDROXYNAPHTHALENE REDUCTASE user 2 3 # 2 A 164 SER A 224 SER^? 7.40 O3 SO4 A 243 A 178 TYR A 222 TYR^? 7.75 O4 SO4 A 243 A 182 LYS A 211 LYS^? 6.62 O3 SO4 A 243 coo 81.46 10.53 21.66 82.20 10.82 19.39 18.13 2.56 1.79 18.41 0.79 3.71 coo 87.67 8.69 17.10 86.62 10.83 18.52 23.05 0.50 5.53 21.22 0.35 7.67 coo 85.30 6.17 22.83 87.26 11.02 23.50 17.59 6.59 4.81 17.28 1.50 8.69 ULMN 3 1ybv_c00 TRIHYDROXYNAPHTHALENE REDUCTASE user 3 3 # 3 A 164 SER B 105 SER^? 14.66 O3 SO4 B 243 A 178 TYR B 197 TYR~? 17.25 O3 SO4 B 243 A 182 LYS B 131 LYS^? 17.11 O1 SO4 B 243 coo 81.46 10.53 21.66 82.20 10.82 19.39 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 87.67 8.69 17.10 86.62 10.83 18.52 -8.04 28.46 2.86 -10.26 29.82 3.98 coo 85.30 6.17 22.83 87.26 11.02 23.50 -7.93 28.07 10.94 -13.10 25.67 8.39 ULMN 3 1ybv_c00 TRIHYDROXYNAPHTHALENE REDUCTASE user 4 3 # 4 A 164 SER B 224 SER^? 7.35 O1 SO4 B 243 A 178 TYR B 222 TYR^? 7.39 O1 SO4 B 243 A 182 LYS B 211 LYS^? 7.04 O1 SO4 B 243 coo 81.46 10.53 21.66 82.20 10.82 19.39 -4.24 20.16 15.05 -2.83 21.89 16.14 coo 87.67 8.69 17.10 86.62 10.83 18.52 -3.31 22.23 21.14 -0.55 22.44 20.59 coo 85.30 6.17 22.83 87.26 11.02 23.50 -1.16 16.10 16.00 2.65 20.89 17.79 1ybv_c00 source 1ybv TRIHYDROXYNAPHTHALENE REDUCTASE : 4 hits 1ybv_c00 naa= 3 ULMN 3 1ybv_c01 TRIHYDROXYNAPHTHALENE REDUCTASE user 1 3 # 1 B 164 SER A 105 SER^? 14.75 O1 SO4 A 243 B 178 TYR A 197 TYR~? 17.30 O1 SO4 A 243 B 182 LYS A 131 LYS^? 17.03 O1 SO4 A 243 coo 61.22 3.61 34.51 60.46 1.86 35.98 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo 54.99 -1.20 35.40 56.04 1.15 36.44 9.27 -5.67 -7.32 11.22 -6.86 -8.96 coo 57.40 2.23 30.19 55.43 5.44 33.87 16.33 -5.43 -3.31 16.51 -3.10 -9.13 ULMN 3 1ybv_c01 TRIHYDROXYNAPHTHALENE REDUCTASE user 2 3 # 2 B 164 SER A 224 SER^? 7.40 O3 SO4 A 243 B 178 TYR A 222 TYR^? 7.75 O4 SO4 A 243 B 182 LYS A 211 LYS^? 6.62 O3 SO4 A 243 coo 61.22 3.61 34.51 60.46 1.86 35.98 18.13 2.56 1.79 18.41 0.79 3.71 coo 54.99 -1.20 35.40 56.04 1.15 36.44 23.05 0.50 5.53 21.22 0.35 7.67 coo 57.40 2.23 30.19 55.43 5.44 33.87 17.59 6.59 4.81 17.28 1.50 8.69 ULMN 3 1ybv_c01 TRIHYDROXYNAPHTHALENE REDUCTASE user 3 3 # 3 B 164 SER B 105 SER^? 14.66 O3 SO4 B 243 B 178 TYR B 197 TYR~? 17.25 O3 SO4 B 243 B 182 LYS B 131 LYS^? 17.11 O1 SO4 B 243 coo 61.22 3.61 34.51 60.46 1.86 35.98 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 54.99 -1.20 35.40 56.04 1.15 36.44 -8.04 28.46 2.86 -10.26 29.82 3.98 coo 57.40 2.23 30.19 55.43 5.44 33.87 -7.93 28.07 10.94 -13.10 25.67 8.39 ULMN 3 1ybv_c01 TRIHYDROXYNAPHTHALENE REDUCTASE user 4 3 # 4 B 164 SER B 224 SER^? 7.35 O1 SO4 B 243 B 178 TYR B 222 TYR^? 7.39 O1 SO4 B 243 B 182 LYS B 211 LYS^? 7.04 O1 SO4 B 243 coo 61.22 3.61 34.51 60.46 1.86 35.98 -4.24 20.16 15.05 -2.83 21.89 16.14 coo 54.99 -1.20 35.40 56.04 1.15 36.44 -3.31 22.23 21.14 -0.55 22.44 20.59 coo 57.40 2.23 30.19 55.43 5.44 33.87 -1.16 16.10 16.00 2.65 20.89 17.79 1ybv_c01 source 1ybv TRIHYDROXYNAPHTHALENE REDUCTASE : 4 hits 1ybv_c01 naa= 3 ULMN 3 1ylu_c00 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 1 3 # 1 A 14 LYS A 113 LYS~? 30.41 O3 SO4 A 243 A 74 LYS A 118 LYS~? 14.73 O3 SO4 A 243 A 165 GLU A 129 GLU^? 16.53 O1 SO4 A 243 coo 18.28 7.83 36.39 22.82 8.75 39.52 26.35 9.86 -8.18 28.43 13.70 -12.96 coo 14.16 13.09 37.03 20.00 12.44 37.49 25.35 9.54 0.37 20.43 7.24 0.70 coo 22.22 16.06 48.76 23.94 15.33 49.78 20.62 -2.18 -6.03 20.44 -1.20 -7.86 ULMN 3 1ylu_c00 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 2 3 # 2 A 14 LYS A 113 LYS~? 30.41 O3 SO4 A 243 A 74 LYS A 118 LYS~? 14.73 O3 SO4 A 243 A 165 GLU A 208 GLU^? 18.11 O3 SO4 A 243 coo 18.28 7.83 36.39 22.82 8.75 39.52 26.35 9.86 -8.18 28.43 13.70 -12.96 coo 14.16 13.09 37.03 20.00 12.44 37.49 25.35 9.54 0.37 20.43 7.24 0.70 coo 22.22 16.06 48.76 23.94 15.33 49.78 11.78 7.44 -1.74 12.80 8.58 -3.28 ULMN 3 1ylu_c00 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 3 3 # 3 A 14 LYS A 118 LYS~? 14.73 O3 SO4 A 243 A 74 LYS A 113 LYS~? 30.41 O3 SO4 A 243 A 165 GLU A 129 GLU^? 16.53 O1 SO4 A 243 coo 18.28 7.83 36.39 22.82 8.75 39.52 25.35 9.54 0.37 20.43 7.24 0.70 coo 14.16 13.09 37.03 20.00 12.44 37.49 26.35 9.86 -8.18 28.43 13.70 -12.96 coo 22.22 16.06 48.76 23.94 15.33 49.78 20.62 -2.18 -6.03 20.44 -1.20 -7.86 ULMN 3 1ylu_c00 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 4 3 # 4 A 14 LYS A 118 LYS~? 14.73 O3 SO4 A 243 A 74 LYS A 113 LYS~? 30.41 O3 SO4 A 243 A 165 GLU A 208 GLU^? 18.11 O3 SO4 A 243 coo 18.28 7.83 36.39 22.82 8.75 39.52 25.35 9.54 0.37 20.43 7.24 0.70 coo 14.16 13.09 37.03 20.00 12.44 37.49 26.35 9.86 -8.18 28.43 13.70 -12.96 coo 22.22 16.06 48.76 23.94 15.33 49.78 11.78 7.44 -1.74 12.80 8.58 -3.28 ULMN 3 1ylu_c00 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 5 3 # 5 A 14 LYS B 113 LYS~? 30.21 O1 SO4 B 243 A 74 LYS B 118 LYS~? 15.88 O1 SO4 B 243 A 165 GLU B 129 GLU^? 16.54 O1 SO4 B 243 coo 18.28 7.83 36.39 22.82 8.75 39.52 -16.92 12.76 17.51 -22.08 8.80 17.21 coo 14.16 13.09 37.03 20.00 12.44 37.49 -8.85 13.11 20.72 -7.39 14.71 15.31 coo 22.22 16.06 48.76 23.94 15.33 49.78 -12.39 24.89 13.45 -13.91 23.80 12.41 ULMN 3 1ylu_c00 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 6 3 # 6 A 14 LYS B 113 LYS~? 30.21 O1 SO4 B 243 A 74 LYS B 118 LYS~? 15.88 O1 SO4 B 243 A 165 GLU B 208 GLU^? 18.08 O1 SO4 B 243 coo 18.28 7.83 36.39 22.82 8.75 39.52 -16.92 12.76 17.51 -22.08 8.80 17.21 coo 14.16 13.09 37.03 20.00 12.44 37.49 -8.85 13.11 20.72 -7.39 14.71 15.31 coo 22.22 16.06 48.76 23.94 15.33 49.78 -4.22 15.23 7.76 -6.03 14.17 7.93 ULMN 3 1ylu_c00 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 7 3 # 7 A 14 LYS B 118 LYS~? 15.88 O1 SO4 B 243 A 74 LYS B 113 LYS~? 30.21 O1 SO4 B 243 A 165 GLU B 129 GLU^? 16.54 O1 SO4 B 243 coo 18.28 7.83 36.39 22.82 8.75 39.52 -8.85 13.11 20.72 -7.39 14.71 15.31 coo 14.16 13.09 37.03 20.00 12.44 37.49 -16.92 12.76 17.51 -22.08 8.80 17.21 coo 22.22 16.06 48.76 23.94 15.33 49.78 -12.39 24.89 13.45 -13.91 23.80 12.41 ULMN 3 1ylu_c00 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 8 3 # 8 A 14 LYS B 118 LYS~? 15.88 O1 SO4 B 243 A 74 LYS B 113 LYS~? 30.21 O1 SO4 B 243 A 165 GLU B 208 GLU^? 18.08 O1 SO4 B 243 coo 18.28 7.83 36.39 22.82 8.75 39.52 -8.85 13.11 20.72 -7.39 14.71 15.31 coo 14.16 13.09 37.03 20.00 12.44 37.49 -16.92 12.76 17.51 -22.08 8.80 17.21 coo 22.22 16.06 48.76 23.94 15.33 49.78 -4.22 15.23 7.76 -6.03 14.17 7.93 1ylu_c00 source 1ylu OXYGEN-INSENSITIVE NAD(P)H NITROREDUCTASE : 8 hits 1ylu_c00 naa= 3 ULMN 3 1ysc_c01 SERINE CARBOXYPEPTIDASE (CPY, CPD-Y,user 1 3 # 1 146 SER A 105 SER^? 14.75 O1 SO4 A 243 338 ASP A 157 ASP~? 15.53 O1 SO4 A 243 397 HIS A 106 HIS^? 13.08 O1 SO4 A 243 coo 45.26 -1.97 35.69 47.76 -2.02 35.82 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo 43.14 -11.10 34.55 44.24 -9.84 35.75 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo 46.65 -7.57 34.11 46.60 -5.84 35.18 22.50 -10.50 -3.88 23.13 -12.51 -3.91 ULMN 3 1ysc_c01 SERINE CARBOXYPEPTIDASE (CPY, CPD-Y,user 2 3 # 2 146 SER B 105 SER^? 14.66 O3 SO4 B 243 338 ASP B 157 ASP~? 15.61 O3 SO4 B 243 397 HIS B 106 HIS^? 13.01 O3 SO4 B 243 coo 45.26 -1.97 35.69 47.76 -2.02 35.82 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 43.14 -11.10 34.55 44.24 -9.84 35.75 -12.32 32.41 21.01 -13.75 33.02 22.44 coo 46.65 -7.57 34.11 46.60 -5.84 35.18 -11.40 33.04 16.07 -11.74 35.05 16.56 1ysc_c01 source 1ysc SERINE CARBOXYPEPTIDASE (CPY, CPD-Y, OR PROTEI: 2 hits 1ysc_c01 naa= 3 ULMN 3 1zoi_c00 ESTERASE user 1 3 # 1 A 97 SER A 105 SER^? 14.75 O1 SO4 A 243 A 227 ASP A 157 ASP~? 15.53 O1 SO4 A 243 A 256 HIS A 106 HIS^? 13.08 O1 SO4 A 243 coo 64.84 24.93 59.62 66.28 24.42 57.72 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo 73.80 27.56 60.96 72.24 26.45 60.08 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo 70.86 23.63 59.28 68.91 24.23 58.80 22.50 -10.50 -3.88 23.13 -12.51 -3.91 ULMN 3 1zoi_c00 ESTERASE user 2 3 # 2 A 97 SER B 105 SER^? 14.66 O3 SO4 B 243 A 227 ASP B 157 ASP~? 15.61 O3 SO4 B 243 A 256 HIS B 106 HIS^? 13.01 O3 SO4 B 243 coo 64.84 24.93 59.62 66.28 24.42 57.72 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 73.80 27.56 60.96 72.24 26.45 60.08 -12.32 32.41 21.01 -13.75 33.02 22.44 coo 70.86 23.63 59.28 68.91 24.23 58.80 -11.40 33.04 16.07 -11.74 35.05 16.56 1zoi_c00 source 1zoi ESTERASE : 2 hits 1zoi_c00 naa= 3 ULMN 3 1zoi_c01 ESTERASE user 1 3 # 1 B 97 SER A 105 SER^? 14.75 O1 SO4 A 243 B 227 ASP A 157 ASP~? 15.53 O1 SO4 A 243 B 256 HIS A 106 HIS^? 13.08 O1 SO4 A 243 coo 64.71 -1.59 29.78 66.19 -2.95 31.16 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo 73.58 -1.50 26.67 72.07 -1.71 28.10 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo 70.69 -1.01 30.98 68.78 -1.84 30.74 22.50 -10.50 -3.88 23.13 -12.51 -3.91 ULMN 3 1zoi_c01 ESTERASE user 2 3 # 2 B 97 SER B 105 SER^? 14.66 O3 SO4 B 243 B 227 ASP B 157 ASP~? 15.61 O3 SO4 B 243 B 256 HIS B 106 HIS^? 13.01 O3 SO4 B 243 coo 64.71 -1.59 29.78 66.19 -2.95 31.16 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 73.58 -1.50 26.67 72.07 -1.71 28.10 -12.32 32.41 21.01 -13.75 33.02 22.44 coo 70.69 -1.01 30.98 68.78 -1.84 30.74 -11.40 33.04 16.07 -11.74 35.05 16.56 1zoi_c01 source 1zoi ESTERASE : 2 hits 1zoi_c01 naa= 3 ULMN 3 1zoi_c02 ESTERASE user 1 3 # 1 C 97 SER A 105 SER^? 14.75 O1 SO4 A 243 C 227 ASP A 157 ASP~? 15.53 O1 SO4 A 243 C 256 HIS A 106 HIS^? 13.08 O1 SO4 A 243 coo 65.79 -14.04 67.57 66.89 -11.91 68.05 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo 74.87 -16.69 68.52 73.28 -15.36 68.17 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo 71.71 -13.16 66.29 69.81 -13.09 67.19 22.50 -10.50 -3.88 23.13 -12.51 -3.91 ULMN 3 1zoi_c02 ESTERASE user 2 3 # 2 C 97 SER B 105 SER^? 14.66 O3 SO4 B 243 C 227 ASP B 157 ASP~? 15.61 O3 SO4 B 243 C 256 HIS B 106 HIS^? 13.01 O3 SO4 B 243 coo 65.79 -14.04 67.57 66.89 -11.91 68.05 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 74.87 -16.69 68.52 73.28 -15.36 68.17 -12.32 32.41 21.01 -13.75 33.02 22.44 coo 71.71 -13.16 66.29 69.81 -13.09 67.19 -11.40 33.04 16.07 -11.74 35.05 16.56 1zoi_c02 source 1zoi ESTERASE : 2 hits 1zoi_c02 naa= 3 ULMN 3 1zrz_c02 PROTEIN KINASE C, IOTA user 1 3 # 1 A 369 ASP A 210 ASP^? 16.17 O3 SO4 A 243 A 371 LYS A 183 LYS^? 12.80 O3 SO4 A 243 A 407 THR A 212 THR^? 14.79 O3 SO4 A 243 coo -5.17 31.09 15.73 -7.07 31.12 16.73 15.65 9.10 1.05 17.66 9.20 0.39 coo -4.43 30.92 22.89 -6.61 31.91 19.71 15.64 9.91 6.99 14.95 7.19 11.14 coo -8.38 36.02 19.06 -8.83 34.10 19.89 21.33 6.89 5.45 22.71 8.01 4.37 ULMN 3 1zrz_c02 PROTEIN KINASE C, IOTA user 2 3 # 2 A 369 ASP B 210 ASP^? 16.02 O1 SO4 B 243 A 371 LYS B 183 LYS^? 10.90 O1 SO4 B 243 A 407 THR B 212 THR^? 14.56 O1 SO4 B 243 coo -5.17 31.09 15.73 -7.07 31.12 16.73 -3.61 13.59 12.62 -5.22 13.58 13.96 coo -4.43 30.92 22.89 -6.61 31.91 19.71 1.60 12.78 15.42 4.74 17.90 14.06 coo -8.38 36.02 19.06 -8.83 34.10 19.89 -2.46 15.86 19.61 -4.11 14.69 20.29 1zrz_c02 source 1zrz PROTEIN KINASE C, IOTA : 2 hits 1zrz_c02 naa= 3 ULMN 3 2ace_c00 ACETYLCHOLINESTERASE user 1 3 # 1 200 SER A 112 SER~? 20.45 O3 SO4 A 243 327 GLU A 129 GLU^? 16.53 O1 SO4 A 243 440 HIS A 147 HIS^? 14.45 O3 SO4 A 243 coo 6.96 64.04 57.84 6.74 63.69 60.26 25.66 6.18 -8.96 23.56 6.25 -7.69 coo 14.82 64.63 62.37 13.47 65.72 61.17 20.62 -2.18 -6.03 20.44 -1.20 -7.86 coo 9.52 66.51 63.07 8.75 65.02 61.81 22.73 1.14 -3.20 21.31 1.29 -4.76 ULMN 3 2ace_c00 ACETYLCHOLINESTERASE user 2 3 # 2 200 SER A 224 SER^? 7.40 O3 SO4 A 243 327 GLU A 129 GLU^? 16.53 O1 SO4 A 243 440 HIS A 147 HIS^? 14.45 O3 SO4 A 243 coo 6.96 64.04 57.84 6.74 63.69 60.26 18.13 2.56 1.79 18.41 0.79 3.71 coo 14.82 64.63 62.37 13.47 65.72 61.17 20.62 -2.18 -6.03 20.44 -1.20 -7.86 coo 9.52 66.51 63.07 8.75 65.02 61.81 22.73 1.14 -3.20 21.31 1.29 -4.76 ULMN 3 2ace_c00 ACETYLCHOLINESTERASE user 3 3 # 3 200 SER B 112 SER~? 20.39 O1 SO4 B 243 327 GLU B 129 GLU^? 16.54 O1 SO4 B 243 440 HIS B 147 HIS^? 14.18 O1 SO4 B 243 coo 6.96 64.04 57.84 6.74 63.69 60.26 -17.32 16.39 16.51 -15.28 16.26 15.24 coo 14.82 64.63 62.37 13.47 65.72 61.17 -12.39 24.89 13.45 -13.91 23.80 12.41 coo 9.52 66.51 63.07 8.75 65.02 61.81 -10.85 21.55 16.70 -11.51 21.37 14.71 ULMN 3 2ace_c00 ACETYLCHOLINESTERASE user 4 3 # 4 200 SER B 224 SER^? 7.35 O1 SO4 B 243 327 GLU B 129 GLU^? 16.54 O1 SO4 B 243 440 HIS B 147 HIS^? 14.18 O1 SO4 B 243 coo 6.96 64.04 57.84 6.74 63.69 60.26 -4.24 20.16 15.05 -2.83 21.89 16.14 coo 14.82 64.63 62.37 13.47 65.72 61.17 -12.39 24.89 13.45 -13.91 23.80 12.41 coo 9.52 66.51 63.07 8.75 65.02 61.81 -10.85 21.55 16.70 -11.51 21.37 14.71 2ace_c00 source 2ace ACETYLCHOLINESTERASE : 4 hits 2ace_c00 naa= 3 ULMN 3 2acu_c01 ALDOSE REDUCTASE (E.C.1.1.1.21) MUTAuser 1 3 # 1 A 43 ASP A 107 ASP^? 18.51 O1 SO4 A 243 A 48 HIS A 106 HIS^? 13.08 O1 SO4 A 243 A 77 LYS A 131 LYS^? 17.03 O1 SO4 A 243 coo 13.04 30.41 72.50 12.95 30.65 70.36 23.22 -6.70 -8.91 22.86 -8.00 -10.43 coo 12.77 23.50 68.33 13.58 25.42 68.49 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo 7.53 29.84 65.06 12.29 29.41 67.79 16.33 -5.43 -3.31 16.51 -3.10 -9.13 ULMN 3 2acu_c01 ALDOSE REDUCTASE (E.C.1.1.1.21) MUTAuser 2 3 # 2 A 43 ASP A 107 ASP^? 18.51 O1 SO4 A 243 A 48 HIS A 147 HIS^? 14.45 O3 SO4 A 243 A 77 LYS A 131 LYS^? 17.03 O1 SO4 A 243 coo 13.04 30.41 72.50 12.95 30.65 70.36 23.22 -6.70 -8.91 22.86 -8.00 -10.43 coo 12.77 23.50 68.33 13.58 25.42 68.49 22.73 1.14 -3.20 21.31 1.29 -4.76 coo 7.53 29.84 65.06 12.29 29.41 67.79 16.33 -5.43 -3.31 16.51 -3.10 -9.13 ULMN 3 2acu_c01 ALDOSE REDUCTASE (E.C.1.1.1.21) MUTAuser 3 3 # 3 A 43 ASP B 107 ASP^? 18.02 O3 SO4 B 243 A 48 HIS B 106 HIS^? 13.01 O3 SO4 B 243 A 77 LYS B 131 LYS^? 17.11 O1 SO4 B 243 coo 13.04 30.41 72.50 12.95 30.65 70.36 -16.27 29.29 14.31 -16.58 30.52 12.63 coo 12.77 23.50 68.33 13.58 25.42 68.49 -11.40 33.04 16.07 -11.74 35.05 16.56 coo 7.53 29.84 65.06 12.29 29.41 67.79 -7.93 28.07 10.94 -13.10 25.67 8.39 ULMN 3 2acu_c01 ALDOSE REDUCTASE (E.C.1.1.1.21) MUTAuser 4 3 # 4 A 43 ASP B 107 ASP^? 18.02 O3 SO4 B 243 A 48 HIS B 147 HIS^? 14.18 O1 SO4 B 243 A 77 LYS B 131 LYS^? 17.11 O1 SO4 B 243 coo 13.04 30.41 72.50 12.95 30.65 70.36 -16.27 29.29 14.31 -16.58 30.52 12.63 coo 12.77 23.50 68.33 13.58 25.42 68.49 -10.85 21.55 16.70 -11.51 21.37 14.71 coo 7.53 29.84 65.06 12.29 29.41 67.79 -7.93 28.07 10.94 -13.10 25.67 8.39 2acu_c01 source 2acu ALDOSE REDUCTASE (E.C.1.1.1.21) MUTANT WITH TY: 4 hits 2acu_c01 naa= 3 ULMN 3 2adm_c00 ADENINE-N6-DNA-METHYLTRANSFERASE TAQuser 1 3 # 1 A 105 ASN A 181 ASN^? 11.66 O3 SO4 A 243 A 106 PRO A 178 PRO.? 9.19 O4 SO4 A 243 A 108 TYR A 222 TYR^? 7.75 O4 SO4 A 243 coo 34.91 38.94 20.48 33.53 38.20 19.00 19.53 6.32 10.38 17.67 6.06 11.34 coo 36.18 33.51 20.99 37.11 35.33 20.14 23.02 0.32 12.27 24.77 1.09 13.57 coo 33.01 33.46 15.68 31.96 34.97 17.80 23.05 0.50 5.53 21.22 0.35 7.67 ULMN 3 2adm_c00 ADENINE-N6-DNA-METHYLTRANSFERASE TAQuser 2 3 # 2 A 105 ASN B 181 ASN^? 11.58 O1 SO4 B 243 A 106 PRO B 178 PRO.? 9.51 O2 SO4 B 243 A 108 TYR B 222 TYR^? 7.39 O1 SO4 B 243 coo 34.91 38.94 20.48 33.53 38.20 19.00 2.76 16.58 20.36 4.48 16.80 19.15 coo 36.18 33.51 20.99 37.11 35.33 20.14 2.66 22.51 24.43 2.92 21.74 26.55 coo 33.01 33.46 15.68 31.96 34.97 17.80 -3.31 22.23 21.14 -0.55 22.44 20.59 2adm_c00 source 2adm ADENINE-N6-DNA-METHYLTRANSFERASE TAQI : 2 hits 2adm_c00 naa= 3 ULMN 3 2adm_c01 ADENINE-N6-DNA-METHYLTRANSFERASE TAQuser 1 3 # 1 B 105 ASN A 181 ASN^? 11.66 O3 SO4 A 243 B 106 PRO A 178 PRO.? 9.19 O4 SO4 A 243 B 108 TYR A 222 TYR^? 7.75 O4 SO4 A 243 coo 5.98 38.14 46.94 7.30 38.92 45.46 19.53 6.32 10.38 17.67 6.06 11.34 coo 4.66 43.53 47.47 3.74 41.73 46.59 23.02 0.32 12.27 24.77 1.09 13.57 coo 7.86 43.80 42.15 8.87 42.26 44.27 23.05 0.50 5.53 21.22 0.35 7.67 ULMN 3 2adm_c01 ADENINE-N6-DNA-METHYLTRANSFERASE TAQuser 2 3 # 2 B 105 ASN B 181 ASN^? 11.58 O1 SO4 B 243 B 106 PRO B 178 PRO.? 9.51 O2 SO4 B 243 B 108 TYR B 222 TYR^? 7.39 O1 SO4 B 243 coo 5.98 38.14 46.94 7.30 38.92 45.46 2.76 16.58 20.36 4.48 16.80 19.15 coo 4.66 43.53 47.47 3.74 41.73 46.59 2.66 22.51 24.43 2.92 21.74 26.55 coo 7.86 43.80 42.15 8.87 42.26 44.27 -3.31 22.23 21.14 -0.55 22.44 20.59 2adm_c01 source 2adm ADENINE-N6-DNA-METHYLTRANSFERASE TAQI : 2 hits 2adm_c01 naa= 3 ULMN 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 1 3 # 1 193 ASP A 199 ASP~? 23.37 O3 SO4 A 243 231 ASP A 107 ASP^? 18.51 O1 SO4 A 243 294 ASP A 138 ASP.? 20.83 O2 SO4 A 243 coo 27.89 102.52 14.98 29.35 101.92 13.57 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 coo 14.74 93.05 -1.00 14.30 94.22 0.73 23.22 -6.70 -8.91 22.86 -8.00 -10.43 coo 33.16 106.80 7.72 33.34 104.87 6.92 -1.07 -12.13 0.13 -1.24 -14.06 1.00 ULMN 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 2 3 # 2 193 ASP A 199 ASP~? 23.37 O3 SO4 A 243 231 ASP A 107 ASP^? 18.51 O1 SO4 A 243 294 ASP A 201 ASP.? 28.67 O3 SO4 A 243 coo 27.89 102.52 14.98 29.35 101.92 13.57 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 coo 14.74 93.05 -1.00 14.30 94.22 0.73 23.22 -6.70 -8.91 22.86 -8.00 -10.43 coo 33.16 106.80 7.72 33.34 104.87 6.92 -1.72 1.66 -11.39 -3.36 0.47 -11.68 ULMN 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 3 3 # 3 193 ASP A 199 ASP~? 23.37 O3 SO4 A 243 231 ASP A 107 ASP^? 18.51 O1 SO4 A 243 294 ASP A 204 ASP.? 25.99 O3 SO4 A 243 coo 27.89 102.52 14.98 29.35 101.92 13.57 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 coo 14.74 93.05 -1.00 14.30 94.22 0.73 23.22 -6.70 -8.91 22.86 -8.00 -10.43 coo 33.16 106.80 7.72 33.34 104.87 6.92 0.25 4.29 -7.71 -1.48 3.39 -8.50 ULMN 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 4 3 # 4 193 ASP A 199 ASP~? 23.37 O3 SO4 A 243 231 ASP A 210 ASP^? 16.17 O3 SO4 A 243 294 ASP A 201 ASP.? 28.67 O3 SO4 A 243 coo 27.89 102.52 14.98 29.35 101.92 13.57 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 coo 14.74 93.05 -1.00 14.30 94.22 0.73 15.65 9.10 1.05 17.66 9.20 0.39 coo 33.16 106.80 7.72 33.34 104.87 6.92 -1.72 1.66 -11.39 -3.36 0.47 -11.68 ULMN 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 5 3 # 5 193 ASP B 199 ASP~? 23.68 O1 SO4 B 243 231 ASP B 107 ASP^? 18.02 O3 SO4 B 243 294 ASP B 138 ASP.? 20.16 O4 SO4 B 243 coo 27.89 102.52 14.98 29.35 101.92 13.57 -3.04 28.39 -4.12 -2.88 29.28 -6.05 coo 14.74 93.05 -1.00 14.30 94.22 0.73 -16.27 29.29 14.31 -16.58 30.52 12.63 coo 33.16 106.80 7.72 33.34 104.87 6.92 3.17 35.06 -2.07 1.06 35.64 -2.11 ULMN 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 6 3 # 6 193 ASP B 199 ASP~? 23.68 O1 SO4 B 243 231 ASP B 107 ASP^? 18.02 O3 SO4 B 243 294 ASP B 201 ASP.? 28.94 O1 SO4 B 243 coo 27.89 102.52 14.98 29.35 101.92 13.57 -3.04 28.39 -4.12 -2.88 29.28 -6.05 coo 14.74 93.05 -1.00 14.30 94.22 0.73 -16.27 29.29 14.31 -16.58 30.52 12.63 coo 33.16 106.80 7.72 33.34 104.87 6.92 -6.53 20.97 -8.85 -5.67 22.23 -10.32 ULMN 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 7 3 # 7 193 ASP B 199 ASP~? 23.68 O1 SO4 B 243 231 ASP B 107 ASP^? 18.02 O3 SO4 B 243 294 ASP B 204 ASP.? 26.31 O1 SO4 B 243 coo 27.89 102.52 14.98 29.35 101.92 13.57 -3.04 28.39 -4.12 -2.88 29.28 -6.05 coo 14.74 93.05 -1.00 14.30 94.22 0.73 -16.27 29.29 14.31 -16.58 30.52 12.63 coo 33.16 106.80 7.72 33.34 104.87 6.92 -4.03 18.39 -5.24 -3.87 19.29 -7.14 ULMN 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 8 3 # 8 193 ASP B 199 ASP~? 23.68 O1 SO4 B 243 231 ASP B 210 ASP^? 16.02 O1 SO4 B 243 294 ASP B 201 ASP.? 28.94 O1 SO4 B 243 coo 27.89 102.52 14.98 29.35 101.92 13.57 -3.04 28.39 -4.12 -2.88 29.28 -6.05 coo 14.74 93.05 -1.00 14.30 94.22 0.73 -3.61 13.59 12.62 -5.22 13.58 13.96 coo 33.16 106.80 7.72 33.34 104.87 6.92 -6.53 20.97 -8.85 -5.67 22.23 -10.32 2amg_c06 source 2amg 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLASE : 8 hits 2amg_c06 naa= 3 ULMN 3 2apr_c04 ACID PROTEINASE (RHIZOPUSPEPSIN) (E.user 1 3 # 1 35 ASP A 107 ASP^? 18.51 O1 SO4 A 243 38 SER A 105 SER^? 14.75 O1 SO4 A 243 218 ASP A 157 ASP~? 15.53 O1 SO4 A 243 coo 41.14 58.72 105.19 42.39 59.85 103.92 23.22 -6.70 -8.91 22.86 -8.00 -10.43 coo 46.04 57.35 103.96 44.97 58.52 105.78 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo 41.33 60.20 97.63 42.00 60.96 99.49 27.16 -9.86 -2.28 29.16 -10.33 -2.80 ULMN 3 2apr_c04 ACID PROTEINASE (RHIZOPUSPEPSIN) (E.user 2 3 # 2 35 ASP A 199 ASP~? 23.37 O3 SO4 A 243 38 SER A 195 SER~? 24.26 O3 SO4 A 243 218 ASP A 201 ASP.? 28.67 O3 SO4 A 243 coo 41.14 58.72 105.19 42.39 59.85 103.92 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 coo 46.04 57.35 103.96 44.97 58.52 105.78 4.31 -1.23 -10.07 4.20 -1.50 -12.49 coo 41.33 60.20 97.63 42.00 60.96 99.49 -1.72 1.66 -11.39 -3.36 0.47 -11.68 ULMN 3 2apr_c04 ACID PROTEINASE (RHIZOPUSPEPSIN) (E.user 3 3 # 3 35 ASP A 201 ASP.? 28.67 O3 SO4 A 243 38 SER A 195 SER~? 24.26 O3 SO4 A 243 218 ASP A 199 ASP~? 23.37 O3 SO4 A 243 coo 41.14 58.72 105.19 42.39 59.85 103.92 -1.72 1.66 -11.39 -3.36 0.47 -11.68 coo 46.04 57.35 103.96 44.97 58.52 105.78 4.31 -1.23 -10.07 4.20 -1.50 -12.49 coo 41.33 60.20 97.63 42.00 60.96 99.49 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 ULMN 3 2apr_c04 ACID PROTEINASE (RHIZOPUSPEPSIN) (E.user 4 3 # 4 35 ASP B 107 ASP^? 18.02 O3 SO4 B 243 38 SER B 105 SER^? 14.66 O3 SO4 B 243 218 ASP B 157 ASP~? 15.61 O3 SO4 B 243 coo 41.14 58.72 105.19 42.39 59.85 103.92 -16.27 29.29 14.31 -16.58 30.52 12.63 coo 46.04 57.35 103.96 44.97 58.52 105.78 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 41.33 60.20 97.63 42.00 60.96 99.49 -12.32 32.41 21.01 -13.75 33.02 22.44 ULMN 3 2apr_c04 ACID PROTEINASE (RHIZOPUSPEPSIN) (E.user 5 3 # 5 35 ASP B 199 ASP~? 23.68 O1 SO4 B 243 38 SER B 195 SER~? 24.29 O1 SO4 B 243 218 ASP B 201 ASP.? 28.94 O1 SO4 B 243 coo 41.14 58.72 105.19 42.39 59.85 103.92 -3.04 28.39 -4.12 -2.88 29.28 -6.05 coo 46.04 57.35 103.96 44.97 58.52 105.78 -8.00 23.84 -2.71 -9.97 24.14 -3.95 coo 41.33 60.20 97.63 42.00 60.96 99.49 -6.53 20.97 -8.85 -5.67 22.23 -10.32 ULMN 3 2apr_c04 ACID PROTEINASE (RHIZOPUSPEPSIN) (E.user 6 3 # 6 35 ASP B 201 ASP.? 28.94 O1 SO4 B 243 38 SER B 195 SER~? 24.29 O1 SO4 B 243 218 ASP B 199 ASP~? 23.68 O1 SO4 B 243 coo 41.14 58.72 105.19 42.39 59.85 103.92 -6.53 20.97 -8.85 -5.67 22.23 -10.32 coo 46.04 57.35 103.96 44.97 58.52 105.78 -8.00 23.84 -2.71 -9.97 24.14 -3.95 coo 41.33 60.20 97.63 42.00 60.96 99.49 -3.04 28.39 -4.12 -2.88 29.28 -6.05 2apr_c04 source 2apr ACID PROTEINASE (RHIZOPUSPEPSIN) (E.C.3.4.23.6: 6 hits 2apr_c04 naa= 3 ULMN 3 2bhg_c02 FOOT-AND-MOUTH DISEASE VIRUS 3C PROTuser 1 3 # 1 B 46 HIS A 147 HIS^? 14.45 O3 SO4 A 243 B 163 ALA A 111 ALA.? 20.30 O3 SO4 A 243 B 182 SER A 112 SER~? 20.45 O3 SO4 A 243 coo 30.42 1.98 4.36 29.07 0.41 4.68 22.73 1.14 -3.20 21.31 1.29 -4.76 coo 25.72 -4.33 3.52 26.60 -3.24 4.12 27.76 3.48 -7.30 28.50 3.97 -5.96 coo 24.00 -0.17 2.07 24.51 1.00 0.04 25.66 6.18 -8.96 23.56 6.25 -7.69 ULMN 3 2bhg_c02 FOOT-AND-MOUTH DISEASE VIRUS 3C PROTuser 2 3 # 2 B 46 HIS A 147 HIS^? 14.45 O3 SO4 A 243 B 163 ALA A 116 ALA~? 22.19 O3 SO4 A 243 B 182 SER A 112 SER~? 20.45 O3 SO4 A 243 coo 30.42 1.98 4.36 29.07 0.41 4.68 22.73 1.14 -3.20 21.31 1.29 -4.76 coo 25.72 -4.33 3.52 26.60 -3.24 4.12 28.31 7.69 -3.90 29.34 7.81 -5.07 coo 24.00 -0.17 2.07 24.51 1.00 0.04 25.66 6.18 -8.96 23.56 6.25 -7.69 ULMN 3 2bhg_c02 FOOT-AND-MOUTH DISEASE VIRUS 3C PROTuser 3 3 # 3 B 46 HIS A 229 HIS^? 22.39 O3 SO4 A 243 B 163 ALA A 190 ALA.? 22.76 O3 SO4 A 243 B 182 SER A 195 SER~? 24.26 O3 SO4 A 243 coo 30.42 1.98 4.36 29.07 0.41 4.68 -0.05 2.05 -3.08 -1.62 2.78 -4.27 coo 25.72 -4.33 3.52 26.60 -3.24 4.12 5.58 4.36 -9.42 4.38 3.38 -9.16 coo 24.00 -0.17 2.07 24.51 1.00 0.04 4.31 -1.23 -10.07 4.20 -1.50 -12.49 ULMN 3 2bhg_c02 FOOT-AND-MOUTH DISEASE VIRUS 3C PROTuser 4 3 # 4 B 46 HIS B 147 HIS^? 14.18 O1 SO4 B 243 B 163 ALA B 111 ALA.? 20.09 O1 SO4 B 243 B 182 SER B 112 SER~? 20.39 O1 SO4 B 243 coo 30.42 1.98 4.36 29.07 0.41 4.68 -10.85 21.55 16.70 -11.51 21.37 14.71 coo 25.72 -4.33 3.52 26.60 -3.24 4.12 -16.83 19.12 19.18 -16.15 18.62 20.45 coo 24.00 -0.17 2.07 24.51 1.00 0.04 -17.32 16.39 16.51 -15.28 16.26 15.24 ULMN 3 2bhg_c02 FOOT-AND-MOUTH DISEASE VIRUS 3C PROTuser 5 3 # 5 B 46 HIS B 147 HIS^? 14.18 O1 SO4 B 243 B 163 ALA B 116 ALA~? 21.87 O1 SO4 B 243 B 182 SER B 112 SER~? 20.39 O1 SO4 B 243 coo 30.42 1.98 4.36 29.07 0.41 4.68 -10.85 21.55 16.70 -11.51 21.37 14.71 coo 25.72 -4.33 3.52 26.60 -3.24 4.12 -14.10 14.96 21.33 -15.63 14.81 21.55 coo 24.00 -0.17 2.07 24.51 1.00 0.04 -17.32 16.39 16.51 -15.28 16.26 15.24 ULMN 3 2bhg_c02 FOOT-AND-MOUTH DISEASE VIRUS 3C PROTuser 6 3 # 6 B 46 HIS B 229 HIS^? 22.78 O1 SO4 B 243 B 163 ALA B 190 ALA.? 22.71 O1 SO4 B 243 B 182 SER B 195 SER~? 24.29 O1 SO4 B 243 coo 30.42 1.98 4.36 29.07 0.41 4.68 0.17 20.57 -3.28 -0.12 19.82 -5.21 coo 25.72 -4.33 3.52 26.60 -3.24 4.12 -8.03 18.28 -1.32 -7.18 19.41 -2.08 coo 24.00 -0.17 2.07 24.51 1.00 0.04 -8.00 23.84 -2.71 -9.97 24.14 -3.95 2bhg_c02 source 2bhg FOOT-AND-MOUTH DISEASE VIRUS 3C PROTEASE : 6 hits 2bhg_c02 naa= 3 ULMN 3 2dbt_c00 CHITINASE C user 1 3 # 1 A 147 GLU A 144 GLU^? 5.14 O3 SO4 A 243 A 156 GLU A 208 GLU^? 18.11 O3 SO4 A 243 A 194 ASN A 181 ASN^? 11.66 O3 SO4 A 243 coo 74.14 15.91 8.55 72.08 15.36 8.63 15.10 -1.99 1.69 15.82 -3.30 3.21 coo 67.47 20.07 1.34 65.99 20.06 2.88 11.78 7.44 -1.74 12.80 8.58 -3.28 coo 67.44 25.26 13.91 67.54 23.65 15.28 19.53 6.32 10.38 17.67 6.06 11.34 ULMN 3 2dbt_c00 CHITINASE C user 2 3 # 2 A 147 GLU A 208 GLU^? 18.11 O3 SO4 A 243 A 156 GLU A 144 GLU^? 5.14 O3 SO4 A 243 A 194 ASN A 181 ASN^? 11.66 O3 SO4 A 243 coo 74.14 15.91 8.55 72.08 15.36 8.63 11.78 7.44 -1.74 12.80 8.58 -3.28 coo 67.47 20.07 1.34 65.99 20.06 2.88 15.10 -1.99 1.69 15.82 -3.30 3.21 coo 67.44 25.26 13.91 67.54 23.65 15.28 19.53 6.32 10.38 17.67 6.06 11.34 ULMN 3 2dbt_c00 CHITINASE C user 3 3 # 3 A 147 GLU B 144 GLU^? 5.26 O1 SO4 B 243 A 156 GLU B 208 GLU^? 18.08 O1 SO4 B 243 A 194 ASN B 181 ASN^? 11.58 O1 SO4 B 243 coo 74.14 15.91 8.55 72.08 15.36 8.63 -2.94 24.68 12.26 -2.09 26.04 13.69 coo 67.47 20.07 1.34 65.99 20.06 2.88 -4.22 15.23 7.76 -6.03 14.17 7.93 coo 67.44 25.26 13.91 67.54 23.65 15.28 2.76 16.58 20.36 4.48 16.80 19.15 ULMN 3 2dbt_c00 CHITINASE C user 4 3 # 4 A 147 GLU B 208 GLU^? 18.08 O1 SO4 B 243 A 156 GLU B 144 GLU^? 5.26 O1 SO4 B 243 A 194 ASN B 181 ASN^? 11.58 O1 SO4 B 243 coo 74.14 15.91 8.55 72.08 15.36 8.63 -4.22 15.23 7.76 -6.03 14.17 7.93 coo 67.47 20.07 1.34 65.99 20.06 2.88 -2.94 24.68 12.26 -2.09 26.04 13.69 coo 67.44 25.26 13.91 67.54 23.65 15.28 2.76 16.58 20.36 4.48 16.80 19.15 2dbt_c00 source 2dbt CHITINASE C : 4 hits 2dbt_c00 naa= 3 ULMN 3 2dbt_c01 CHITINASE C user 1 3 # 1 B 147 GLU A 144 GLU^? 5.14 O3 SO4 A 243 B 156 GLU A 208 GLU^? 18.11 O3 SO4 A 243 B 194 ASN A 181 ASN^? 11.66 O3 SO4 A 243 coo 45.64 63.11 17.20 47.48 62.43 16.45 15.10 -1.99 1.69 15.82 -3.30 3.21 coo 54.43 67.89 19.82 55.62 67.90 18.07 11.78 7.44 -1.74 12.80 8.58 -3.28 coo 49.79 70.75 7.78 50.10 68.90 6.86 19.53 6.32 10.38 17.67 6.06 11.34 ULMN 3 2dbt_c01 CHITINASE C user 2 3 # 2 B 147 GLU A 208 GLU^? 18.11 O3 SO4 A 243 B 156 GLU A 144 GLU^? 5.14 O3 SO4 A 243 B 194 ASN A 181 ASN^? 11.66 O3 SO4 A 243 coo 45.64 63.11 17.20 47.48 62.43 16.45 11.78 7.44 -1.74 12.80 8.58 -3.28 coo 54.43 67.89 19.82 55.62 67.90 18.07 15.10 -1.99 1.69 15.82 -3.30 3.21 coo 49.79 70.75 7.78 50.10 68.90 6.86 19.53 6.32 10.38 17.67 6.06 11.34 ULMN 3 2dbt_c01 CHITINASE C user 3 3 # 3 B 147 GLU B 144 GLU^? 5.26 O1 SO4 B 243 B 156 GLU B 208 GLU^? 18.08 O1 SO4 B 243 B 194 ASN B 181 ASN^? 11.58 O1 SO4 B 243 coo 45.64 63.11 17.20 47.48 62.43 16.45 -2.94 24.68 12.26 -2.09 26.04 13.69 coo 54.43 67.89 19.82 55.62 67.90 18.07 -4.22 15.23 7.76 -6.03 14.17 7.93 coo 49.79 70.75 7.78 50.10 68.90 6.86 2.76 16.58 20.36 4.48 16.80 19.15 ULMN 3 2dbt_c01 CHITINASE C user 4 3 # 4 B 147 GLU B 208 GLU^? 18.08 O1 SO4 B 243 B 156 GLU B 144 GLU^? 5.26 O1 SO4 B 243 B 194 ASN B 181 ASN^? 11.58 O1 SO4 B 243 coo 45.64 63.11 17.20 47.48 62.43 16.45 -4.22 15.23 7.76 -6.03 14.17 7.93 coo 54.43 67.89 19.82 55.62 67.90 18.07 -2.94 24.68 12.26 -2.09 26.04 13.69 coo 49.79 70.75 7.78 50.10 68.90 6.86 2.76 16.58 20.36 4.48 16.80 19.15 2dbt_c01 source 2dbt CHITINASE C : 4 hits 2dbt_c01 naa= 3 ULMN 3 2dbt_c02 CHITINASE C user 1 3 # 1 C 147 GLU A 144 GLU^? 5.14 O3 SO4 A 243 C 156 GLU A 208 GLU^? 18.11 O3 SO4 A 243 C 194 ASN A 181 ASN^? 11.66 O3 SO4 A 243 coo 41.23 29.31 13.28 43.03 29.85 12.29 15.10 -1.99 1.69 15.82 -3.30 3.21 coo 44.75 23.09 5.51 46.77 22.91 6.12 11.78 7.44 -1.74 12.80 8.58 -3.28 coo 49.75 21.00 18.12 50.45 23.02 18.26 19.53 6.32 10.38 17.67 6.06 11.34 ULMN 3 2dbt_c02 CHITINASE C user 2 3 # 2 C 147 GLU A 208 GLU^? 18.11 O3 SO4 A 243 C 156 GLU A 144 GLU^? 5.14 O3 SO4 A 243 C 194 ASN A 181 ASN^? 11.66 O3 SO4 A 243 coo 41.23 29.31 13.28 43.03 29.85 12.29 11.78 7.44 -1.74 12.80 8.58 -3.28 coo 44.75 23.09 5.51 46.77 22.91 6.12 15.10 -1.99 1.69 15.82 -3.30 3.21 coo 49.75 21.00 18.12 50.45 23.02 18.26 19.53 6.32 10.38 17.67 6.06 11.34 ULMN 3 2dbt_c02 CHITINASE C user 3 3 # 3 C 147 GLU B 144 GLU^? 5.26 O1 SO4 B 243 C 156 GLU B 208 GLU^? 18.08 O1 SO4 B 243 C 194 ASN B 181 ASN^? 11.58 O1 SO4 B 243 coo 41.23 29.31 13.28 43.03 29.85 12.29 -2.94 24.68 12.26 -2.09 26.04 13.69 coo 44.75 23.09 5.51 46.77 22.91 6.12 -4.22 15.23 7.76 -6.03 14.17 7.93 coo 49.75 21.00 18.12 50.45 23.02 18.26 2.76 16.58 20.36 4.48 16.80 19.15 ULMN 3 2dbt_c02 CHITINASE C user 4 3 # 4 C 147 GLU B 208 GLU^? 18.08 O1 SO4 B 243 C 156 GLU B 144 GLU^? 5.26 O1 SO4 B 243 C 194 ASN B 181 ASN^? 11.58 O1 SO4 B 243 coo 41.23 29.31 13.28 43.03 29.85 12.29 -4.22 15.23 7.76 -6.03 14.17 7.93 coo 44.75 23.09 5.51 46.77 22.91 6.12 -2.94 24.68 12.26 -2.09 26.04 13.69 coo 49.75 21.00 18.12 50.45 23.02 18.26 2.76 16.58 20.36 4.48 16.80 19.15 2dbt_c02 source 2dbt CHITINASE C : 4 hits 2dbt_c02 naa= 3 ULMN 3 2dw7_c32 BLL6730 PROTEIN user 1 3 # 1 A 182 LYS A 118 LYS~? 14.73 O3 SO4 A 243 A 184 LYS A 113 LYS~? 30.41 O3 SO4 A 243 A 345 ASP A 151 ASP.? 21.86 O1 SO4 A 243 coo 5.98 42.76 7.73 10.19 38.62 9.02 25.35 9.54 0.37 20.43 7.24 0.70 coo 2.77 37.17 4.99 6.33 34.76 8.06 26.35 9.86 -8.18 28.43 13.70 -12.96 coo 0.07 40.30 18.65 -0.21 42.34 18.18 35.47 -0.09 -0.47 36.15 -0.37 -2.56 ULMN 3 2dw7_c32 BLL6730 PROTEIN user 2 3 # 2 A 182 LYS B 118 LYS~? 15.88 O1 SO4 B 243 A 184 LYS B 113 LYS~? 30.21 O1 SO4 B 243 A 345 ASP B 151 ASP.? 21.97 O3 SO4 B 243 coo 5.98 42.76 7.73 10.19 38.62 9.02 -8.85 13.11 20.72 -7.39 14.71 15.31 coo 2.77 37.17 4.99 6.33 34.76 8.06 -16.92 12.76 17.51 -22.08 8.80 17.21 coo 0.07 40.30 18.65 -0.21 42.34 18.18 -14.61 22.77 29.21 -16.72 23.04 28.78 2dw7_c32 source 2dw7 BLL6730 PROTEIN : 2 hits 2dw7_c32 naa= 3 ULMN 3 2dw7_c33 BLL6730 PROTEIN user 1 3 # 1 B 182 LYS A 113 LYS~? 30.41 O3 SO4 A 243 B 184 LYS A 118 LYS~? 14.73 O3 SO4 A 243 B 345 ASP A 151 ASP.? 21.86 O1 SO4 A 243 coo 38.76 2.27 4.00 34.00 5.99 4.37 26.35 9.86 -8.18 28.43 13.70 -12.96 coo 40.63 7.13 9.06 35.85 7.36 8.95 25.35 9.54 0.37 20.43 7.24 0.70 coo 34.36 -6.33 13.69 36.02 -6.07 12.41 35.47 -0.09 -0.47 36.15 -0.37 -2.56 ULMN 3 2dw7_c33 BLL6730 PROTEIN user 2 3 # 2 B 182 LYS A 118 LYS~? 14.73 O3 SO4 A 243 B 184 LYS A 113 LYS~? 30.41 O3 SO4 A 243 B 345 ASP A 151 ASP.? 21.86 O1 SO4 A 243 coo 38.76 2.27 4.00 34.00 5.99 4.37 25.35 9.54 0.37 20.43 7.24 0.70 coo 40.63 7.13 9.06 35.85 7.36 8.95 26.35 9.86 -8.18 28.43 13.70 -12.96 coo 34.36 -6.33 13.69 36.02 -6.07 12.41 35.47 -0.09 -0.47 36.15 -0.37 -2.56 ULMN 3 2dw7_c33 BLL6730 PROTEIN user 3 3 # 3 B 182 LYS B 113 LYS~? 30.21 O1 SO4 B 243 B 184 LYS B 118 LYS~? 15.88 O1 SO4 B 243 B 345 ASP B 151 ASP.? 21.97 O3 SO4 B 243 coo 38.76 2.27 4.00 34.00 5.99 4.37 -16.92 12.76 17.51 -22.08 8.80 17.21 coo 40.63 7.13 9.06 35.85 7.36 8.95 -8.85 13.11 20.72 -7.39 14.71 15.31 coo 34.36 -6.33 13.69 36.02 -6.07 12.41 -14.61 22.77 29.21 -16.72 23.04 28.78 ULMN 3 2dw7_c33 BLL6730 PROTEIN user 4 3 # 4 B 182 LYS B 118 LYS~? 15.88 O1 SO4 B 243 B 184 LYS B 113 LYS~? 30.21 O1 SO4 B 243 B 345 ASP B 151 ASP.? 21.97 O3 SO4 B 243 coo 38.76 2.27 4.00 34.00 5.99 4.37 -8.85 13.11 20.72 -7.39 14.71 15.31 coo 40.63 7.13 9.06 35.85 7.36 8.95 -16.92 12.76 17.51 -22.08 8.80 17.21 coo 34.36 -6.33 13.69 36.02 -6.07 12.41 -14.61 22.77 29.21 -16.72 23.04 28.78 2dw7_c33 source 2dw7 BLL6730 PROTEIN : 4 hits 2dw7_c33 naa= 3 ULMN 3 2dw7_c34 BLL6730 PROTEIN user 1 3 # 1 C 182 LYS A 118 LYS~? 14.73 O3 SO4 A 243 C 184 LYS A 113 LYS~? 30.41 O3 SO4 A 243 C 345 ASP A 151 ASP.? 21.86 O1 SO4 A 243 coo -5.66 12.40 71.13 -2.66 9.98 66.50 25.35 9.54 0.37 20.43 7.24 0.70 coo 0.95 12.72 73.51 1.58 12.72 68.31 26.35 9.86 -8.18 28.43 13.70 -12.96 coo -4.59 24.28 66.67 -6.26 24.34 67.99 35.47 -0.09 -0.47 36.15 -0.37 -2.56 ULMN 3 2dw7_c34 BLL6730 PROTEIN user 2 3 # 2 C 182 LYS B 118 LYS~? 15.88 O1 SO4 B 243 C 184 LYS B 113 LYS~? 30.21 O1 SO4 B 243 C 345 ASP B 151 ASP.? 21.97 O3 SO4 B 243 coo -5.66 12.40 71.13 -2.66 9.98 66.50 -8.85 13.11 20.72 -7.39 14.71 15.31 coo 0.95 12.72 73.51 1.58 12.72 68.31 -16.92 12.76 17.51 -22.08 8.80 17.21 coo -4.59 24.28 66.67 -6.26 24.34 67.99 -14.61 22.77 29.21 -16.72 23.04 28.78 2dw7_c34 source 2dw7 BLL6730 PROTEIN : 2 hits 2dw7_c34 naa= 3 ULMN 3 2dw7_c35 BLL6730 PROTEIN user 1 3 # 1 D 182 LYS A 118 LYS~? 14.73 O3 SO4 A 243 D 184 LYS A 113 LYS~? 30.41 O3 SO4 A 243 D 345 ASP A 151 ASP.? 21.86 O1 SO4 A 243 coo 29.31 -12.29 40.88 26.50 -8.82 44.94 25.35 9.54 0.37 20.43 7.24 0.70 coo 23.25 -10.73 37.68 24.08 -6.91 41.08 26.35 9.86 -8.18 28.43 13.70 -12.96 coo 35.01 -2.71 35.14 36.51 -4.14 34.87 35.47 -0.09 -0.47 36.15 -0.37 -2.56 ULMN 3 2dw7_c35 BLL6730 PROTEIN user 2 3 # 2 D 182 LYS B 118 LYS~? 15.88 O1 SO4 B 243 D 184 LYS B 113 LYS~? 30.21 O1 SO4 B 243 D 345 ASP B 151 ASP.? 21.97 O3 SO4 B 243 coo 29.31 -12.29 40.88 26.50 -8.82 44.94 -8.85 13.11 20.72 -7.39 14.71 15.31 coo 23.25 -10.73 37.68 24.08 -6.91 41.08 -16.92 12.76 17.51 -22.08 8.80 17.21 coo 35.01 -2.71 35.14 36.51 -4.14 34.87 -14.61 22.77 29.21 -16.72 23.04 28.78 2dw7_c35 source 2dw7 BLL6730 PROTEIN : 2 hits 2dw7_c35 naa= 3 ULMN 3 2dw7_c36 BLL6730 PROTEIN user 1 3 # 1 E 182 LYS A 118 LYS~? 14.73 O3 SO4 A 243 E 184 LYS A 113 LYS~? 30.41 O3 SO4 A 243 E 345 ASP A 151 ASP.? 21.86 O1 SO4 A 243 coo -21.16 62.58 121.86 -16.35 60.33 119.23 25.35 9.54 0.37 20.43 7.24 0.70 coo -23.22 55.98 120.74 -18.11 55.31 120.43 26.35 9.86 -8.18 28.43 13.70 -12.96 coo -17.15 59.71 133.33 -17.96 61.54 134.01 35.47 -0.09 -0.47 36.15 -0.37 -2.56 ULMN 3 2dw7_c36 BLL6730 PROTEIN user 2 3 # 2 E 182 LYS B 118 LYS~? 15.88 O1 SO4 B 243 E 184 LYS B 113 LYS~? 30.21 O1 SO4 B 243 E 345 ASP B 151 ASP.? 21.97 O3 SO4 B 243 coo -21.16 62.58 121.86 -16.35 60.33 119.23 -8.85 13.11 20.72 -7.39 14.71 15.31 coo -23.22 55.98 120.74 -18.11 55.31 120.43 -16.92 12.76 17.51 -22.08 8.80 17.21 coo -17.15 59.71 133.33 -17.96 61.54 134.01 -14.61 22.77 29.21 -16.72 23.04 28.78 2dw7_c36 source 2dw7 BLL6730 PROTEIN : 2 hits 2dw7_c36 naa= 3 ULMN 3 2dw7_c37 BLL6730 PROTEIN user 1 3 # 1 F 182 LYS A 118 LYS~? 14.73 O3 SO4 A 243 F 184 LYS A 113 LYS~? 30.41 O3 SO4 A 243 F 345 ASP A 151 ASP.? 21.86 O1 SO4 A 243 coo 10.64 34.02 91.30 6.30 35.60 95.11 25.35 9.54 0.37 20.43 7.24 0.70 coo 13.75 39.76 94.12 11.42 37.23 97.89 26.35 9.86 -8.18 28.43 13.70 -12.96 coo 16.35 26.90 99.56 16.81 25.90 97.75 35.47 -0.09 -0.47 36.15 -0.37 -2.56 ULMN 3 2dw7_c37 BLL6730 PROTEIN user 2 3 # 2 F 182 LYS B 118 LYS~? 15.88 O1 SO4 B 243 F 184 LYS B 113 LYS~? 30.21 O1 SO4 B 243 F 345 ASP B 151 ASP.? 21.97 O3 SO4 B 243 coo 10.64 34.02 91.30 6.30 35.60 95.11 -8.85 13.11 20.72 -7.39 14.71 15.31 coo 13.75 39.76 94.12 11.42 37.23 97.89 -16.92 12.76 17.51 -22.08 8.80 17.21 coo 16.35 26.90 99.56 16.81 25.90 97.75 -14.61 22.77 29.21 -16.72 23.04 28.78 2dw7_c37 source 2dw7 BLL6730 PROTEIN : 2 hits 2dw7_c37 naa= 3 ULMN 3 2dw7_c38 BLL6730 PROTEIN user 1 3 # 1 G 182 LYS A 118 LYS~? 14.73 O3 SO4 A 243 G 184 LYS A 113 LYS~? 30.41 O3 SO4 A 243 G 345 ASP A 151 ASP.? 21.86 O1 SO4 A 243 coo 39.68 42.04 76.11 43.42 46.43 74.96 25.35 9.54 0.37 20.43 7.24 0.70 coo 36.69 47.69 78.93 39.38 50.40 75.35 26.35 9.86 -8.18 28.43 13.70 -12.96 coo 33.43 44.37 65.47 33.10 42.30 65.37 35.47 -0.09 -0.47 36.15 -0.37 -2.56 ULMN 3 2dw7_c38 BLL6730 PROTEIN user 2 3 # 2 G 182 LYS B 118 LYS~? 15.88 O1 SO4 B 243 G 184 LYS B 113 LYS~? 30.21 O1 SO4 B 243 G 345 ASP B 151 ASP.? 21.97 O3 SO4 B 243 coo 39.68 42.04 76.11 43.42 46.43 74.96 -8.85 13.11 20.72 -7.39 14.71 15.31 coo 36.69 47.69 78.93 39.38 50.40 75.35 -16.92 12.76 17.51 -22.08 8.80 17.21 coo 33.43 44.37 65.47 33.10 42.30 65.37 -14.61 22.77 29.21 -16.72 23.04 28.78 2dw7_c38 source 2dw7 BLL6730 PROTEIN : 2 hits 2dw7_c38 naa= 3 ULMN 3 2dw7_c39 BLL6730 PROTEIN user 1 3 # 1 H 182 LYS A 118 LYS~? 14.73 O3 SO4 A 243 H 184 LYS A 113 LYS~? 30.41 O3 SO4 A 243 H 345 ASP A 151 ASP.? 21.86 O1 SO4 A 243 coo 71.58 83.18 80.51 66.88 79.77 79.84 25.35 9.54 0.37 20.43 7.24 0.70 coo 73.65 78.64 75.66 68.14 79.07 75.04 26.35 9.86 -8.18 28.43 13.70 -12.96 coo 67.43 90.73 71.39 68.27 92.30 72.52 35.47 -0.09 -0.47 36.15 -0.37 -2.56 ULMN 3 2dw7_c39 BLL6730 PROTEIN user 2 3 # 2 H 182 LYS B 118 LYS~? 15.88 O1 SO4 B 243 H 184 LYS B 113 LYS~? 30.21 O1 SO4 B 243 H 345 ASP B 151 ASP.? 21.97 O3 SO4 B 243 coo 71.58 83.18 80.51 66.88 79.77 79.84 -8.85 13.11 20.72 -7.39 14.71 15.31 coo 73.65 78.64 75.66 68.14 79.07 75.04 -16.92 12.76 17.51 -22.08 8.80 17.21 coo 67.43 90.73 71.39 68.27 92.30 72.52 -14.61 22.77 29.21 -16.72 23.04 28.78 2dw7_c39 source 2dw7 BLL6730 PROTEIN : 2 hits 2dw7_c39 naa= 3 ULMN 3 2dw7_c40 BLL6730 PROTEIN user 1 3 # 1 I 182 LYS A 118 LYS~? 14.73 O3 SO4 A 243 I 184 LYS A 113 LYS~? 30.41 O3 SO4 A 243 I 345 ASP A 151 ASP.? 21.86 O1 SO4 A 243 coo 60.20 96.92 42.53 57.60 93.13 38.67 25.35 9.54 0.37 20.43 7.24 0.70 coo 54.31 95.46 46.01 55.34 91.59 42.65 26.35 9.86 -8.18 28.43 13.70 -12.96 coo 66.35 87.81 48.53 68.10 89.01 48.77 35.47 -0.09 -0.47 36.15 -0.37 -2.56 ULMN 3 2dw7_c40 BLL6730 PROTEIN user 2 3 # 2 I 182 LYS B 118 LYS~? 15.88 O1 SO4 B 243 I 184 LYS B 113 LYS~? 30.21 O1 SO4 B 243 I 345 ASP B 151 ASP.? 21.97 O3 SO4 B 243 coo 60.20 96.92 42.53 57.60 93.13 38.67 -8.85 13.11 20.72 -7.39 14.71 15.31 coo 54.31 95.46 46.01 55.34 91.59 42.65 -16.92 12.76 17.51 -22.08 8.80 17.21 coo 66.35 87.81 48.53 68.10 89.01 48.77 -14.61 22.77 29.21 -16.72 23.04 28.78 2dw7_c40 source 2dw7 BLL6730 PROTEIN : 2 hits 2dw7_c40 naa= 3 ULMN 3 2dw7_c41 BLL6730 PROTEIN user 1 3 # 1 J 182 LYS A 118 LYS~? 14.73 O3 SO4 A 243 J 184 LYS A 113 LYS~? 30.41 O3 SO4 A 243 J 345 ASP A 151 ASP.? 21.86 O1 SO4 A 243 coo 25.22 70.55 14.03 27.64 73.07 18.65 25.35 9.54 0.37 20.43 7.24 0.70 coo 31.73 69.87 11.50 32.73 70.19 16.40 26.35 9.86 -8.18 28.43 13.70 -12.96 coo 25.87 58.42 18.79 23.95 58.54 17.90 35.47 -0.09 -0.47 36.15 -0.37 -2.56 ULMN 3 2dw7_c41 BLL6730 PROTEIN user 2 3 # 2 J 182 LYS B 118 LYS~? 15.88 O1 SO4 B 243 J 184 LYS B 113 LYS~? 30.21 O1 SO4 B 243 J 345 ASP B 151 ASP.? 21.97 O3 SO4 B 243 coo 25.22 70.55 14.03 27.64 73.07 18.65 -8.85 13.11 20.72 -7.39 14.71 15.31 coo 31.73 69.87 11.50 32.73 70.19 16.40 -16.92 12.76 17.51 -22.08 8.80 17.21 coo 25.87 58.42 18.79 23.95 58.54 17.90 -14.61 22.77 29.21 -16.72 23.04 28.78 2dw7_c41 source 2dw7 BLL6730 PROTEIN : 2 hits 2dw7_c41 naa= 3 ULMN 3 2dw7_c42 BLL6730 PROTEIN user 1 3 # 1 K 182 LYS A 118 LYS~? 14.73 O3 SO4 A 243 K 184 LYS A 113 LYS~? 30.41 O3 SO4 A 243 K 345 ASP A 151 ASP.? 21.86 O1 SO4 A 243 coo 51.91 50.98 -7.18 47.83 49.38 -11.15 25.35 9.54 0.37 20.43 7.24 0.70 coo 54.95 45.24 -9.88 51.94 46.65 -13.66 26.35 9.86 -8.18 28.43 13.70 -12.96 coo 58.09 58.36 -15.39 58.48 59.93 -14.05 35.47 -0.09 -0.47 36.15 -0.37 -2.56 ULMN 3 2dw7_c42 BLL6730 PROTEIN user 2 3 # 2 K 182 LYS B 118 LYS~? 15.88 O1 SO4 B 243 K 184 LYS B 113 LYS~? 30.21 O1 SO4 B 243 K 345 ASP B 151 ASP.? 21.97 O3 SO4 B 243 coo 51.91 50.98 -7.18 47.83 49.38 -11.15 -8.85 13.11 20.72 -7.39 14.71 15.31 coo 54.95 45.24 -9.88 51.94 46.65 -13.66 -16.92 12.76 17.51 -22.08 8.80 17.21 coo 58.09 58.36 -15.39 58.48 59.93 -14.05 -14.61 22.77 29.21 -16.72 23.04 28.78 2dw7_c42 source 2dw7 BLL6730 PROTEIN : 2 hits 2dw7_c42 naa= 3 ULMN 3 2dw7_c43 BLL6730 PROTEIN user 1 3 # 1 L 182 LYS A 113 LYS~? 30.41 O3 SO4 A 243 L 184 LYS A 118 LYS~? 14.73 O3 SO4 A 243 L 345 ASP A 151 ASP.? 21.86 O1 SO4 A 243 coo 20.72 21.86 -37.85 25.46 24.17 -34.95 26.35 9.86 -8.18 28.43 13.70 -12.96 coo 18.47 28.51 -37.00 23.90 28.36 -37.29 25.35 9.54 0.37 20.43 7.24 0.70 coo 25.62 23.75 -50.41 24.07 23.21 -49.03 35.47 -0.09 -0.47 36.15 -0.37 -2.56 ULMN 3 2dw7_c43 BLL6730 PROTEIN user 2 3 # 2 L 182 LYS A 118 LYS~? 14.73 O3 SO4 A 243 L 184 LYS A 113 LYS~? 30.41 O3 SO4 A 243 L 345 ASP A 151 ASP.? 21.86 O1 SO4 A 243 coo 20.72 21.86 -37.85 25.46 24.17 -34.95 25.35 9.54 0.37 20.43 7.24 0.70 coo 18.47 28.51 -37.00 23.90 28.36 -37.29 26.35 9.86 -8.18 28.43 13.70 -12.96 coo 25.62 23.75 -50.41 24.07 23.21 -49.03 35.47 -0.09 -0.47 36.15 -0.37 -2.56 ULMN 3 2dw7_c43 BLL6730 PROTEIN user 3 3 # 3 L 182 LYS B 113 LYS~? 30.21 O1 SO4 B 243 L 184 LYS B 118 LYS~? 15.88 O1 SO4 B 243 L 345 ASP B 151 ASP.? 21.97 O3 SO4 B 243 coo 20.72 21.86 -37.85 25.46 24.17 -34.95 -16.92 12.76 17.51 -22.08 8.80 17.21 coo 18.47 28.51 -37.00 23.90 28.36 -37.29 -8.85 13.11 20.72 -7.39 14.71 15.31 coo 25.62 23.75 -50.41 24.07 23.21 -49.03 -14.61 22.77 29.21 -16.72 23.04 28.78 ULMN 3 2dw7_c43 BLL6730 PROTEIN user 4 3 # 4 L 182 LYS B 118 LYS~? 15.88 O1 SO4 B 243 L 184 LYS B 113 LYS~? 30.21 O1 SO4 B 243 L 345 ASP B 151 ASP.? 21.97 O3 SO4 B 243 coo 20.72 21.86 -37.85 25.46 24.17 -34.95 -8.85 13.11 20.72 -7.39 14.71 15.31 coo 18.47 28.51 -37.00 23.90 28.36 -37.29 -16.92 12.76 17.51 -22.08 8.80 17.21 coo 25.62 23.75 -50.41 24.07 23.21 -49.03 -14.61 22.77 29.21 -16.72 23.04 28.78 2dw7_c43 source 2dw7 BLL6730 PROTEIN : 4 hits 2dw7_c43 naa= 3 ULMN 3 2dw7_c44 BLL6730 PROTEIN user 1 3 # 1 M 182 LYS A 118 LYS~? 14.73 O3 SO4 A 243 M 184 LYS A 113 LYS~? 30.41 O3 SO4 A 243 M 345 ASP A 151 ASP.? 21.86 O1 SO4 A 243 coo -16.84 -32.78 53.48 -13.51 -32.22 58.34 25.35 9.54 0.37 20.43 7.24 0.70 coo -11.12 -36.54 51.97 -12.06 -36.49 56.95 26.35 9.86 -8.18 28.43 13.70 -12.96 coo -23.86 -43.59 58.54 -23.60 -42.14 57.00 35.47 -0.09 -0.47 36.15 -0.37 -2.56 ULMN 3 2dw7_c44 BLL6730 PROTEIN user 2 3 # 2 M 182 LYS B 113 LYS~? 30.21 O1 SO4 B 243 M 184 LYS B 118 LYS~? 15.88 O1 SO4 B 243 M 345 ASP B 151 ASP.? 21.97 O3 SO4 B 243 coo -16.84 -32.78 53.48 -13.51 -32.22 58.34 -16.92 12.76 17.51 -22.08 8.80 17.21 coo -11.12 -36.54 51.97 -12.06 -36.49 56.95 -8.85 13.11 20.72 -7.39 14.71 15.31 coo -23.86 -43.59 58.54 -23.60 -42.14 57.00 -14.61 22.77 29.21 -16.72 23.04 28.78 ULMN 3 2dw7_c44 BLL6730 PROTEIN user 3 3 # 3 M 182 LYS B 118 LYS~? 15.88 O1 SO4 B 243 M 184 LYS B 113 LYS~? 30.21 O1 SO4 B 243 M 345 ASP B 151 ASP.? 21.97 O3 SO4 B 243 coo -16.84 -32.78 53.48 -13.51 -32.22 58.34 -8.85 13.11 20.72 -7.39 14.71 15.31 coo -11.12 -36.54 51.97 -12.06 -36.49 56.95 -16.92 12.76 17.51 -22.08 8.80 17.21 coo -23.86 -43.59 58.54 -23.60 -42.14 57.00 -14.61 22.77 29.21 -16.72 23.04 28.78 2dw7_c44 source 2dw7 BLL6730 PROTEIN : 3 hits 2dw7_c44 naa= 3 ULMN 3 2dw7_c45 BLL6730 PROTEIN user 1 3 # 1 N 182 LYS A 118 LYS~? 14.73 O3 SO4 A 243 N 184 LYS A 113 LYS~? 30.41 O3 SO4 A 243 N 345 ASP A 151 ASP.? 21.86 O1 SO4 A 243 coo 22.75 -28.13 87.31 18.89 -29.87 83.00 25.35 9.54 0.37 20.43 7.24 0.70 coo 16.58 -26.28 90.12 15.40 -29.80 86.61 26.35 9.86 -8.18 28.43 13.70 -12.96 coo 22.32 -38.59 93.74 24.34 -38.41 94.32 35.47 -0.09 -0.47 36.15 -0.37 -2.56 ULMN 3 2dw7_c45 BLL6730 PROTEIN user 2 3 # 2 N 182 LYS B 118 LYS~? 15.88 O1 SO4 B 243 N 184 LYS B 113 LYS~? 30.21 O1 SO4 B 243 N 345 ASP B 151 ASP.? 21.97 O3 SO4 B 243 coo 22.75 -28.13 87.31 18.89 -29.87 83.00 -8.85 13.11 20.72 -7.39 14.71 15.31 coo 16.58 -26.28 90.12 15.40 -29.80 86.61 -16.92 12.76 17.51 -22.08 8.80 17.21 coo 22.32 -38.59 93.74 24.34 -38.41 94.32 -14.61 22.77 29.21 -16.72 23.04 28.78 2dw7_c45 source 2dw7 BLL6730 PROTEIN : 2 hits 2dw7_c45 naa= 3 ULMN 3 2dw7_c46 BLL6730 PROTEIN user 1 3 # 1 O 182 LYS A 118 LYS~? 14.73 O3 SO4 A 243 O 184 LYS A 113 LYS~? 30.41 O3 SO4 A 243 O 345 ASP A 151 ASP.? 21.86 O1 SO4 A 243 coo 54.57 -51.89 -4.22 51.14 -49.62 0.15 25.35 9.54 0.37 20.43 7.24 0.70 coo 48.40 -53.90 -6.78 48.57 -49.84 -4.13 26.35 9.86 -8.18 28.43 13.70 -12.96 coo 54.15 -41.12 -10.77 56.24 -41.47 -10.94 35.47 -0.09 -0.47 36.15 -0.37 -2.56 ULMN 3 2dw7_c46 BLL6730 PROTEIN user 2 3 # 2 O 182 LYS B 118 LYS~? 15.88 O1 SO4 B 243 O 184 LYS B 113 LYS~? 30.21 O1 SO4 B 243 O 345 ASP B 151 ASP.? 21.97 O3 SO4 B 243 coo 54.57 -51.89 -4.22 51.14 -49.62 0.15 -8.85 13.11 20.72 -7.39 14.71 15.31 coo 48.40 -53.90 -6.78 48.57 -49.84 -4.13 -16.92 12.76 17.51 -22.08 8.80 17.21 coo 54.15 -41.12 -10.77 56.24 -41.47 -10.94 -14.61 22.77 29.21 -16.72 23.04 28.78 2dw7_c46 source 2dw7 BLL6730 PROTEIN : 2 hits 2dw7_c46 naa= 3 ULMN 3 2dw7_c47 BLL6730 PROTEIN user 1 3 # 1 P 182 LYS A 113 LYS~? 30.41 O3 SO4 A 243 P 184 LYS A 118 LYS~? 14.73 O3 SO4 A 243 P 345 ASP A 151 ASP.? 21.86 O1 SO4 A 243 coo 14.97 -47.15 29.92 18.26 -47.80 24.89 26.35 9.86 -8.18 28.43 13.70 -12.96 coo 20.57 -43.13 31.26 20.62 -43.22 26.05 25.35 9.54 0.37 20.43 7.24 0.70 coo 7.60 -36.55 24.79 7.77 -37.99 26.35 35.47 -0.09 -0.47 36.15 -0.37 -2.56 ULMN 3 2dw7_c47 BLL6730 PROTEIN user 2 3 # 2 P 182 LYS A 118 LYS~? 14.73 O3 SO4 A 243 P 184 LYS A 113 LYS~? 30.41 O3 SO4 A 243 P 345 ASP A 151 ASP.? 21.86 O1 SO4 A 243 coo 14.97 -47.15 29.92 18.26 -47.80 24.89 25.35 9.54 0.37 20.43 7.24 0.70 coo 20.57 -43.13 31.26 20.62 -43.22 26.05 26.35 9.86 -8.18 28.43 13.70 -12.96 coo 7.60 -36.55 24.79 7.77 -37.99 26.35 35.47 -0.09 -0.47 36.15 -0.37 -2.56 ULMN 3 2dw7_c47 BLL6730 PROTEIN user 3 3 # 3 P 182 LYS B 113 LYS~? 30.21 O1 SO4 B 243 P 184 LYS B 118 LYS~? 15.88 O1 SO4 B 243 P 345 ASP B 151 ASP.? 21.97 O3 SO4 B 243 coo 14.97 -47.15 29.92 18.26 -47.80 24.89 -16.92 12.76 17.51 -22.08 8.80 17.21 coo 20.57 -43.13 31.26 20.62 -43.22 26.05 -8.85 13.11 20.72 -7.39 14.71 15.31 coo 7.60 -36.55 24.79 7.77 -37.99 26.35 -14.61 22.77 29.21 -16.72 23.04 28.78 ULMN 3 2dw7_c47 BLL6730 PROTEIN user 4 3 # 4 P 182 LYS B 118 LYS~? 15.88 O1 SO4 B 243 P 184 LYS B 113 LYS~? 30.21 O1 SO4 B 243 P 345 ASP B 151 ASP.? 21.97 O3 SO4 B 243 coo 14.97 -47.15 29.92 18.26 -47.80 24.89 -8.85 13.11 20.72 -7.39 14.71 15.31 coo 20.57 -43.13 31.26 20.62 -43.22 26.05 -16.92 12.76 17.51 -22.08 8.80 17.21 coo 7.60 -36.55 24.79 7.77 -37.99 26.35 -14.61 22.77 29.21 -16.72 23.04 28.78 2dw7_c47 source 2dw7 BLL6730 PROTEIN : 4 hits 2dw7_c47 naa= 3 ULMN 3 2esd_c00 1.02.01.0009 user 1 3 # 1 A 154 ASN A 231 ASN.? 25.70 O3 SO4 A 243 A 250 ALA A 190 ALA.? 22.76 O3 SO4 A 243 A 284 CYH A 200 CYH.? 21.90 O3 SO4 A 243 coo -98.31 19.25 26.95 -99.27 21.10 26.57 -4.01 3.19 -0.61 -4.89 4.35 -2.16 coo -102.90 29.72 23.02 -103.69 28.50 23.43 5.58 4.36 -9.42 4.38 3.38 -9.16 coo -98.59 26.45 29.50 -99.24 25.73 26.84 -0.03 -1.22 -8.06 2.13 0.46 -7.36 ULMN 3 2esd_c00 1.02.01.0009 user 2 3 # 2 A 154 ASN B 231 ASN.? 26.15 O1 SO4 B 243 A 250 ALA B 190 ALA.? 22.71 O1 SO4 B 243 A 284 CYH B 200 CYH.? 22.22 O1 SO4 B 243 coo -98.31 19.25 26.95 -99.27 21.10 26.57 4.19 19.46 -5.53 3.38 18.27 -7.08 coo -102.90 29.72 23.02 -103.69 28.50 23.43 -8.03 18.28 -1.32 -7.18 19.41 -2.08 coo -98.59 26.45 29.50 -99.24 25.73 26.84 -4.23 23.83 -5.59 -4.70 22.08 -3.39 2esd_c00 source 2esd 1.02.01.0009 : 2 hits 2esd_c00 naa= 3 ULMN 3 2esd_c01 1.02.01.0009 user 1 3 # 1 B 154 ASN A 231 ASN.? 25.70 O3 SO4 A 243 B 250 ALA A 190 ALA.? 22.76 O3 SO4 A 243 B 284 CYH A 200 CYH.? 21.90 O3 SO4 A 243 coo -116.62 58.12 2.11 -116.17 56.24 3.01 -4.01 3.19 -0.61 -4.89 4.35 -2.16 coo -114.20 47.61 7.65 -114.88 48.80 8.33 5.58 4.36 -9.42 4.38 3.38 -9.16 coo -118.73 50.90 1.30 -116.61 51.76 2.87 -0.03 -1.22 -8.06 2.13 0.46 -7.36 ULMN 3 2esd_c01 1.02.01.0009 user 2 3 # 2 B 154 ASN B 231 ASN.? 26.15 O1 SO4 B 243 B 250 ALA B 190 ALA.? 22.71 O1 SO4 B 243 B 284 CYH B 200 CYH.? 22.22 O1 SO4 B 243 coo -116.62 58.12 2.11 -116.17 56.24 3.01 4.19 19.46 -5.53 3.38 18.27 -7.08 coo -114.20 47.61 7.65 -114.88 48.80 8.33 -8.03 18.28 -1.32 -7.18 19.41 -2.08 coo -118.73 50.90 1.30 -116.61 51.76 2.87 -4.23 23.83 -5.59 -4.70 22.08 -3.39 2esd_c01 source 2esd 1.02.01.0009 : 2 hits 2esd_c01 naa= 3 ULMN 3 2esd_c02 1.02.01.0009 user 1 3 # 1 C 154 ASN A 231 ASN.? 25.70 O3 SO4 A 243 C 250 ALA A 190 ALA.? 22.76 O3 SO4 A 243 C 284 CYH A 200 CYH.? 21.90 O3 SO4 A 243 coo -155.36 18.42 28.93 -154.49 20.30 29.39 -4.01 3.19 -0.61 -4.89 4.35 -2.16 coo -150.95 29.02 32.87 -150.10 27.86 32.40 5.58 4.36 -9.42 4.38 3.38 -9.16 coo -155.22 25.64 26.33 -154.78 25.20 29.09 -0.03 -1.22 -8.06 2.13 0.46 -7.36 ULMN 3 2esd_c02 1.02.01.0009 user 2 3 # 2 C 154 ASN B 231 ASN.? 26.15 O1 SO4 B 243 C 250 ALA B 190 ALA.? 22.71 O1 SO4 B 243 C 284 CYH B 200 CYH.? 22.22 O1 SO4 B 243 coo -155.36 18.42 28.93 -154.49 20.30 29.39 4.19 19.46 -5.53 3.38 18.27 -7.08 coo -150.95 29.02 32.87 -150.10 27.86 32.40 -8.03 18.28 -1.32 -7.18 19.41 -2.08 coo -155.22 25.64 26.33 -154.78 25.20 29.09 -4.23 23.83 -5.59 -4.70 22.08 -3.39 2esd_c02 source 2esd 1.02.01.0009 : 2 hits 2esd_c02 naa= 3 ULMN 3 2esd_c03 1.02.01.0009 user 1 3 # 1 D 154 ASN A 231 ASN.? 25.70 O3 SO4 A 243 D 250 ALA A 190 ALA.? 22.76 O3 SO4 A 243 D 284 CYH A 200 CYH.? 21.90 O3 SO4 A 243 coo -138.05 57.23 54.59 -137.96 55.47 53.43 -4.01 3.19 -0.61 -4.89 4.35 -2.16 coo -139.97 46.71 48.80 -139.25 47.90 48.19 5.58 4.36 -9.42 4.38 3.38 -9.16 coo -135.22 50.13 55.22 -137.25 50.94 53.65 -0.03 -1.22 -8.06 2.13 0.46 -7.36 ULMN 3 2esd_c03 1.02.01.0009 user 2 3 # 2 D 154 ASN B 231 ASN.? 26.15 O1 SO4 B 243 D 250 ALA B 190 ALA.? 22.71 O1 SO4 B 243 D 284 CYH B 200 CYH.? 22.22 O1 SO4 B 243 coo -138.05 57.23 54.59 -137.96 55.47 53.43 4.19 19.46 -5.53 3.38 18.27 -7.08 coo -139.97 46.71 48.80 -139.25 47.90 48.19 -8.03 18.28 -1.32 -7.18 19.41 -2.08 coo -135.22 50.13 55.22 -137.25 50.94 53.65 -4.23 23.83 -5.59 -4.70 22.08 -3.39 2esd_c03 source 2esd 1.02.01.0009 : 2 hits 2esd_c03 naa= 3 ULMN 3 2f9z_c00 PROTEIN (CHEMOTAXIS METHYLATION PROTuser 1 3 # 1 C 21 THR A 230 THR.? 22.77 O3 SO4 A 243 C 27 CYH A 200 CYH.? 21.90 O3 SO4 A 243 C 44 HIS A 229 HIS^? 22.39 O3 SO4 A 243 coo 31.18 22.40 -15.93 30.94 20.86 -14.44 0.21 5.74 -0.13 0.26 7.49 -1.40 coo 33.52 13.02 -11.58 35.31 14.81 -10.35 -0.03 -1.22 -8.06 2.13 0.46 -7.36 coo 32.65 18.86 -10.97 34.16 18.23 -12.28 -0.05 2.05 -3.08 -1.62 2.78 -4.27 ULMN 3 2f9z_c00 PROTEIN (CHEMOTAXIS METHYLATION PROTuser 2 3 # 2 C 21 THR B 230 THR.? 23.10 O1 SO4 B 243 C 27 CYH B 200 CYH.? 22.22 O1 SO4 B 243 C 44 HIS B 229 HIS^? 22.78 O1 SO4 B 243 coo 31.18 22.40 -15.93 30.94 20.86 -14.44 2.70 16.87 -1.57 1.49 15.14 -2.13 coo 33.52 13.02 -11.58 35.31 14.81 -10.35 -4.23 23.83 -5.59 -4.70 22.08 -3.39 coo 32.65 18.86 -10.97 34.16 18.23 -12.28 0.17 20.57 -3.28 -0.12 19.82 -5.21 2f9z_c00 source 2f9z PROTEIN (CHEMOTAXIS METHYLATION PROTEIN) : 2 hits 2f9z_c00 naa= 3 ULMN 3 2f9z_c01 PROTEIN (CHEMOTAXIS METHYLATION PROTuser 1 3 # 1 D 21 THR A 230 THR.? 22.77 O3 SO4 A 243 D 27 CYH A 200 CYH.? 21.90 O3 SO4 A 243 D 44 HIS A 229 HIS^? 22.39 O3 SO4 A 243 coo 8.10 8.69 -37.60 9.58 7.79 -38.92 0.21 5.74 -0.13 0.26 7.49 -1.40 coo 15.06 1.75 -41.51 12.66 0.75 -42.59 -0.03 -1.22 -8.06 2.13 0.46 -7.36 coo 10.53 5.51 -42.28 10.30 3.78 -41.11 -0.05 2.05 -3.08 -1.62 2.78 -4.27 ULMN 3 2f9z_c01 PROTEIN (CHEMOTAXIS METHYLATION PROTuser 2 3 # 2 D 21 THR B 230 THR.? 23.10 O1 SO4 B 243 D 27 CYH B 200 CYH.? 22.22 O1 SO4 B 243 D 44 HIS B 229 HIS^? 22.78 O1 SO4 B 243 coo 8.10 8.69 -37.60 9.58 7.79 -38.92 2.70 16.87 -1.57 1.49 15.14 -2.13 coo 15.06 1.75 -41.51 12.66 0.75 -42.59 -4.23 23.83 -5.59 -4.70 22.08 -3.39 coo 10.53 5.51 -42.28 10.30 3.78 -41.11 0.17 20.57 -3.28 -0.12 19.82 -5.21 2f9z_c01 source 2f9z PROTEIN (CHEMOTAXIS METHYLATION PROTEIN) : 2 hits 2f9z_c01 naa= 3 ULMN 3 2gsa_c04 GLUTAMATE SEMIALDEHYDE AMINOTRANSFERuser 1 3 # 1 A 157 PHE A 153 PHE.? 12.36 O4 SO4 A 243 A 245 ASP A 157 ASP~? 15.53 O1 SO4 A 243 A 273 LYS A 131 LYS^? 17.03 O1 SO4 A 243 coo 9.49 9.24 -34.27 7.12 7.86 -33.75 30.19 -3.32 5.04 29.59 -1.30 6.90 coo 1.75 12.92 -36.29 2.66 14.31 -34.97 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo -0.09 22.51 -29.56 4.47 22.51 -33.59 16.33 -5.43 -3.31 16.51 -3.10 -9.13 ULMN 3 2gsa_c04 GLUTAMATE SEMIALDEHYDE AMINOTRANSFERuser 2 3 # 2 A 157 PHE A 159 PHE~? 12.70 O1 SO4 A 243 A 245 ASP A 157 ASP~? 15.53 O1 SO4 A 243 A 273 LYS A 131 LYS^? 17.03 O1 SO4 A 243 coo 9.49 9.24 -34.27 7.12 7.86 -33.75 27.57 -12.73 4.97 30.30 -13.19 5.58 coo 1.75 12.92 -36.29 2.66 14.31 -34.97 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo -0.09 22.51 -29.56 4.47 22.51 -33.59 16.33 -5.43 -3.31 16.51 -3.10 -9.13 ULMN 3 2gsa_c04 GLUTAMATE SEMIALDEHYDE AMINOTRANSFERuser 3 3 # 3 A 157 PHE B 153 PHE.? 12.55 O2 SO4 B 243 A 245 ASP B 157 ASP~? 15.61 O3 SO4 B 243 A 273 LYS B 131 LYS^? 17.11 O1 SO4 B 243 coo 9.49 9.24 -34.27 7.12 7.86 -33.75 -7.24 26.05 27.13 -5.40 23.96 27.37 coo 1.75 12.92 -36.29 2.66 14.31 -34.97 -12.32 32.41 21.01 -13.75 33.02 22.44 coo -0.09 22.51 -29.56 4.47 22.51 -33.59 -7.93 28.07 10.94 -13.10 25.67 8.39 ULMN 3 2gsa_c04 GLUTAMATE SEMIALDEHYDE AMINOTRANSFERuser 4 3 # 4 A 157 PHE B 159 PHE~? 12.51 O3 SO4 B 243 A 245 ASP B 157 ASP~? 15.61 O3 SO4 B 243 A 273 LYS B 131 LYS^? 17.11 O1 SO4 B 243 coo 9.49 9.24 -34.27 7.12 7.86 -33.75 -6.17 35.50 24.73 -6.58 35.92 27.48 coo 1.75 12.92 -36.29 2.66 14.31 -34.97 -12.32 32.41 21.01 -13.75 33.02 22.44 coo -0.09 22.51 -29.56 4.47 22.51 -33.59 -7.93 28.07 10.94 -13.10 25.67 8.39 2gsa_c04 source 2gsa GLUTAMATE SEMIALDEHYDE AMINOTRANSFERASE : 4 hits 2gsa_c04 naa= 3 ULMN 3 2hdh_c02 L-3-HYDROXYACYL COA DEHYDROGENASE user 1 3 # 1 B 137 SER B 239 SER.? 13.78 O3 SO4 A 243 B 158 HIS A 180 HIS^? 16.73 O4 SO4 A 243 B 208 ASN A 181 ASN^? 11.66 O3 SO4 A 243 coo 50.29 50.10 71.46 47.85 50.06 71.46 16.84 9.01 14.32 16.23 6.75 15.02 coo 48.67 45.40 71.68 47.67 46.90 70.60 23.63 8.86 13.89 25.45 9.53 13.13 coo 48.91 49.12 65.17 47.29 49.14 66.54 19.53 6.32 10.38 17.67 6.06 11.34 ULMN 3 2hdh_c02 L-3-HYDROXYACYL COA DEHYDROGENASE user 2 3 # 2 B 137 SER B 239 SER.? 13.78 O3 SO4 A 243 B 158 HIS A 180 HIS^? 16.73 O4 SO4 A 243 B 208 ASN B 238 ASN.? 19.44 O3 SO4 A 243 coo 50.29 50.10 71.46 47.85 50.06 71.46 16.84 9.01 14.32 16.23 6.75 15.02 coo 48.67 45.40 71.68 47.67 46.90 70.60 23.63 8.86 13.89 25.45 9.53 13.13 coo 48.91 49.12 65.17 47.29 49.14 66.54 17.45 13.57 12.63 18.87 14.00 11.14 2hdh_c02 source 2hdh L-3-HYDROXYACYL COA DEHYDROGENASE : 2 hits 2hdh_c02 naa= 3 ULMN 3 2isd_c00 PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPuser 1 3 # 1 A 311 HIS A 101 HIS.? 5.49 O3 SO4 A 243 A 341 GLU A 144 GLU^? 5.14 O3 SO4 A 243 A 356 HIS A 102 HIS^? 13.43 O1 SO4 A 243 coo 121.00 36.37 19.26 121.57 38.37 19.56 12.44 -8.38 4.91 13.10 -6.40 5.14 coo 125.72 32.70 19.75 124.44 34.16 18.84 15.10 -1.99 1.69 15.82 -3.30 3.21 coo 124.34 41.73 25.55 123.79 42.60 23.72 10.89 -12.56 -1.72 11.39 -13.56 -3.50 ULMN 3 2isd_c00 PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPuser 2 3 # 2 A 311 HIS B 101 HIS.? 5.53 O4 SO4 B 243 A 341 GLU B 144 GLU^? 5.26 O1 SO4 B 243 A 356 HIS B 102 HIS^? 13.40 O3 SO4 B 243 coo 121.00 36.37 19.26 121.57 38.37 19.56 1.10 31.39 11.62 1.04 29.37 12.19 coo 125.72 32.70 19.75 124.44 34.16 18.84 -2.94 24.68 12.26 -2.09 26.04 13.69 coo 124.34 41.73 25.55 123.79 42.60 23.72 -4.13 35.26 6.99 -5.90 36.34 6.69 2isd_c00 source 2isd PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPASE C, ISO: 2 hits 2isd_c00 naa= 3 ULMN 3 2isd_c01 PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPuser 1 3 # 1 B 311 HIS A 101 HIS.? 5.49 O3 SO4 A 243 B 341 GLU A 144 GLU^? 5.14 O3 SO4 A 243 B 356 HIS A 102 HIS^? 13.43 O1 SO4 A 243 coo 77.20 37.63 -25.62 77.60 39.62 -25.06 12.44 -8.38 4.91 13.10 -6.40 5.14 coo 79.41 33.66 -21.62 79.55 35.10 -23.14 15.10 -1.99 1.69 15.82 -3.30 3.21 coo 75.11 43.37 -19.22 76.23 44.10 -20.84 10.89 -12.56 -1.72 11.39 -13.56 -3.50 ULMN 3 2isd_c01 PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPuser 2 3 # 2 B 311 HIS B 101 HIS.? 5.53 O4 SO4 B 243 B 341 GLU B 144 GLU^? 5.26 O1 SO4 B 243 B 356 HIS B 102 HIS^? 13.40 O3 SO4 B 243 coo 77.20 37.63 -25.62 77.60 39.62 -25.06 1.10 31.39 11.62 1.04 29.37 12.19 coo 79.41 33.66 -21.62 79.55 35.10 -23.14 -2.94 24.68 12.26 -2.09 26.04 13.69 coo 75.11 43.37 -19.22 76.23 44.10 -20.84 -4.13 35.26 6.99 -5.90 36.34 6.69 2isd_c01 source 2isd PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPASE C, ISO: 2 hits 2isd_c01 naa= 3 ULMN 3 2jxr_c04 LIGAND CP-081282 user 1 3 # 1 A 32 ASP A 107 ASP^? 18.51 O1 SO4 A 243 A 35 SER A 105 SER^? 14.75 O1 SO4 A 243 A 215 ASP A 157 ASP~? 15.53 O1 SO4 A 243 coo -14.00 61.45 43.99 -14.19 63.14 42.84 23.22 -6.70 -8.91 22.86 -8.00 -10.43 coo -13.21 66.21 45.84 -15.49 65.90 45.84 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo -10.72 64.19 37.77 -12.20 64.43 39.15 27.16 -9.86 -2.28 29.16 -10.33 -2.80 ULMN 3 2jxr_c04 LIGAND CP-081282 user 2 3 # 2 A 32 ASP A 199 ASP~? 23.37 O3 SO4 A 243 A 35 SER A 195 SER~? 24.26 O3 SO4 A 243 A 215 ASP A 201 ASP.? 28.67 O3 SO4 A 243 coo -14.00 61.45 43.99 -14.19 63.14 42.84 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 coo -13.21 66.21 45.84 -15.49 65.90 45.84 4.31 -1.23 -10.07 4.20 -1.50 -12.49 coo -10.72 64.19 37.77 -12.20 64.43 39.15 -1.72 1.66 -11.39 -3.36 0.47 -11.68 ULMN 3 2jxr_c04 LIGAND CP-081282 user 3 3 # 3 A 32 ASP A 201 ASP.? 28.67 O3 SO4 A 243 A 35 SER A 195 SER~? 24.26 O3 SO4 A 243 A 215 ASP A 199 ASP~? 23.37 O3 SO4 A 243 coo -14.00 61.45 43.99 -14.19 63.14 42.84 -1.72 1.66 -11.39 -3.36 0.47 -11.68 coo -13.21 66.21 45.84 -15.49 65.90 45.84 4.31 -1.23 -10.07 4.20 -1.50 -12.49 coo -10.72 64.19 37.77 -12.20 64.43 39.15 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 ULMN 3 2jxr_c04 LIGAND CP-081282 user 4 3 # 4 A 32 ASP B 107 ASP^? 18.02 O3 SO4 B 243 A 35 SER B 105 SER^? 14.66 O3 SO4 B 243 A 215 ASP B 157 ASP~? 15.61 O3 SO4 B 243 coo -14.00 61.45 43.99 -14.19 63.14 42.84 -16.27 29.29 14.31 -16.58 30.52 12.63 coo -13.21 66.21 45.84 -15.49 65.90 45.84 -11.13 32.24 11.11 -11.87 30.19 10.06 coo -10.72 64.19 37.77 -12.20 64.43 39.15 -12.32 32.41 21.01 -13.75 33.02 22.44 ULMN 3 2jxr_c04 LIGAND CP-081282 user 5 3 # 5 A 32 ASP B 199 ASP~? 23.68 O1 SO4 B 243 A 35 SER B 195 SER~? 24.29 O1 SO4 B 243 A 215 ASP B 201 ASP.? 28.94 O1 SO4 B 243 coo -14.00 61.45 43.99 -14.19 63.14 42.84 -3.04 28.39 -4.12 -2.88 29.28 -6.05 coo -13.21 66.21 45.84 -15.49 65.90 45.84 -8.00 23.84 -2.71 -9.97 24.14 -3.95 coo -10.72 64.19 37.77 -12.20 64.43 39.15 -6.53 20.97 -8.85 -5.67 22.23 -10.32 ULMN 3 2jxr_c04 LIGAND CP-081282 user 6 3 # 6 A 32 ASP B 201 ASP.? 28.94 O1 SO4 B 243 A 35 SER B 195 SER~? 24.29 O1 SO4 B 243 A 215 ASP B 199 ASP~? 23.68 O1 SO4 B 243 coo -14.00 61.45 43.99 -14.19 63.14 42.84 -6.53 20.97 -8.85 -5.67 22.23 -10.32 coo -13.21 66.21 45.84 -15.49 65.90 45.84 -8.00 23.84 -2.71 -9.97 24.14 -3.95 coo -10.72 64.19 37.77 -12.20 64.43 39.15 -3.04 28.39 -4.12 -2.88 29.28 -6.05 2jxr_c04 source 2jxr LIGAND CP-081282 : 6 hits 2jxr_c04 naa= 3 ULMN 3 2lip_c00 LIPASE user 1 3 # 1 87 SER A 105 SER^? 14.75 O1 SO4 A 243 264 ASP A 157 ASP~? 15.53 O1 SO4 A 243 286 HIS A 106 HIS^? 13.08 O1 SO4 A 243 coo 10.47 25.91 18.67 10.67 27.13 20.84 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo 2.34 22.49 22.56 3.80 23.95 22.00 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo 7.10 24.11 23.40 8.18 25.09 21.87 22.50 -10.50 -3.88 23.13 -12.51 -3.91 ULMN 3 2lip_c00 LIPASE user 2 3 # 2 87 SER B 105 SER^? 14.66 O3 SO4 B 243 264 ASP B 157 ASP~? 15.61 O3 SO4 B 243 286 HIS B 106 HIS^? 13.01 O3 SO4 B 243 coo 10.47 25.91 18.67 10.67 27.13 20.84 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 2.34 22.49 22.56 3.80 23.95 22.00 -12.32 32.41 21.01 -13.75 33.02 22.44 coo 7.10 24.11 23.40 8.18 25.09 21.87 -11.40 33.04 16.07 -11.74 35.05 16.56 2lip_c00 source 2lip LIPASE : 2 hits 2lip_c00 naa= 3 ULMN 3 2lpr_c02 ALPHA-LYTIC PROTEASE user 1 3 # 1 A 57 HIS A 106 HIS^? 13.08 O1 SO4 A 243 A 102 ASP A 107 ASP^? 18.51 O1 SO4 A 243 A 193 GLY A 155 GLY~? 16.12 O1 SO4 A 243 coo 14.96 29.22 19.55 15.62 29.93 17.67 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo 19.64 30.69 22.61 18.18 29.94 21.25 23.22 -6.70 -8.91 22.86 -8.00 -10.43 coo 14.54 28.99 9.76 15.06 29.59 10.02 32.17 -9.95 0.50 31.84 -9.33 0.84 ULMN 3 2lpr_c02 ALPHA-LYTIC PROTEASE user 2 3 # 2 A 57 HIS B 106 HIS^? 13.01 O3 SO4 B 243 A 102 ASP B 107 ASP^? 18.02 O3 SO4 B 243 A 193 GLY B 155 GLY~? 16.11 O3 SO4 B 243 coo 14.96 29.22 19.55 15.62 29.93 17.67 -11.40 33.04 16.07 -11.74 35.05 16.56 coo 19.64 30.69 22.61 18.18 29.94 21.25 -16.27 29.29 14.31 -16.58 30.52 12.63 coo 14.54 28.99 9.76 15.06 29.59 10.02 -12.14 32.63 26.81 -11.73 31.99 26.60 2lpr_c02 source 2lpr ALPHA-LYTIC PROTEASE : 2 hits 2lpr_c02 naa= 3 ULMN 3 2oat_c03 ORNITHINE AMINOTRANSFERASE user 1 3 # 1 A 177 PHE A 159 PHE~? 12.70 O1 SO4 A 243 A 263 ASP A 168 ASP~? 7.04 O4 SO4 A 243 A 292 LYS A 175 LYS~? 15.75 O4 SO4 A 243 coo 51.51 50.32 16.39 52.13 49.68 13.75 27.57 -12.73 4.97 30.30 -13.19 5.58 coo 54.43 44.82 23.74 55.21 45.06 21.80 22.19 -10.44 12.27 20.99 -10.59 13.96 coo 63.95 45.30 16.71 59.11 49.15 16.05 31.71 -5.61 14.13 32.23 -10.41 15.70 ULMN 3 2oat_c03 ORNITHINE AMINOTRANSFERASE user 2 3 # 2 A 177 PHE B 159 PHE~? 12.51 O3 SO4 B 243 A 263 ASP B 168 ASP~? 6.50 O2 SO4 B 243 A 292 LYS B 175 LYS~? 16.29 O2 SO4 B 243 coo 51.51 50.32 16.39 52.13 49.68 13.75 -6.17 35.50 24.73 -6.58 35.92 27.48 coo 54.43 44.82 23.74 55.21 45.06 21.80 3.03 33.25 23.92 5.06 33.14 23.36 coo 63.95 45.30 16.71 59.11 49.15 16.05 -0.06 28.25 32.86 0.77 33.04 34.82 2oat_c03 source 2oat ORNITHINE AMINOTRANSFERASE : 2 hits 2oat_c03 naa= 3 ULMN 3 2oat_c04 ORNITHINE AMINOTRANSFERASE user 1 3 # 1 B 177 PHE A 159 PHE~? 12.70 O1 SO4 A 243 B 263 ASP A 168 ASP~? 7.04 O4 SO4 A 243 B 292 LYS A 175 LYS~? 15.75 O4 SO4 A 243 coo 49.99 26.05 6.28 51.46 26.87 8.49 27.57 -12.73 4.97 30.30 -13.19 5.58 coo 49.07 31.32 -1.50 50.64 31.29 -0.07 22.19 -10.44 12.27 20.99 -10.59 13.96 coo 60.53 31.67 0.97 57.79 27.51 3.63 31.71 -5.61 14.13 32.23 -10.41 15.70 ULMN 3 2oat_c04 ORNITHINE AMINOTRANSFERASE user 2 3 # 2 B 177 PHE B 159 PHE~? 12.51 O3 SO4 B 243 B 263 ASP B 168 ASP~? 6.50 O2 SO4 B 243 B 292 LYS B 175 LYS~? 16.29 O2 SO4 B 243 coo 49.99 26.05 6.28 51.46 26.87 8.49 -6.17 35.50 24.73 -6.58 35.92 27.48 coo 49.07 31.32 -1.50 50.64 31.29 -0.07 3.03 33.25 23.92 5.06 33.14 23.36 coo 60.53 31.67 0.97 57.79 27.51 3.63 -0.06 28.25 32.86 0.77 33.04 34.82 2oat_c04 source 2oat ORNITHINE AMINOTRANSFERASE : 2 hits 2oat_c04 naa= 3 ULMN 3 2oat_c05 ORNITHINE AMINOTRANSFERASE user 1 3 # 1 C 177 PHE A 159 PHE~? 12.70 O1 SO4 A 243 C 263 ASP A 168 ASP~? 7.04 O4 SO4 A 243 C 292 LYS A 175 LYS~? 15.75 O4 SO4 A 243 coo 21.96 11.84 -0.03 20.04 11.74 -2.01 27.57 -12.73 4.97 30.30 -13.19 5.58 coo 19.84 12.02 9.33 18.68 11.23 7.75 22.19 -10.44 12.27 20.99 -10.59 13.96 coo 12.82 3.49 4.98 17.80 5.59 1.90 31.71 -5.61 14.13 32.23 -10.41 15.70 ULMN 3 2oat_c05 ORNITHINE AMINOTRANSFERASE user 2 3 # 2 C 177 PHE B 159 PHE~? 12.51 O3 SO4 B 243 C 263 ASP B 168 ASP~? 6.50 O2 SO4 B 243 C 292 LYS B 175 LYS~? 16.29 O2 SO4 B 243 coo 21.96 11.84 -0.03 20.04 11.74 -2.01 -6.17 35.50 24.73 -6.58 35.92 27.48 coo 19.84 12.02 9.33 18.68 11.23 7.75 3.03 33.25 23.92 5.06 33.14 23.36 coo 12.82 3.49 4.98 17.80 5.59 1.90 -0.06 28.25 32.86 0.77 33.04 34.82 2oat_c05 source 2oat ORNITHINE AMINOTRANSFERASE : 2 hits 2oat_c05 naa= 3 ULMN 3 2phk_c02 MC-PEPTIDE user 1 3 # 1 A 149 ASP A 210 ASP^? 16.17 O3 SO4 A 243 A 151 LYS A 183 LYS^? 12.80 O3 SO4 A 243 A 186 THR A 212 THR^? 14.79 O3 SO4 A 243 coo 41.42 17.90 44.98 43.39 18.36 45.61 15.65 9.10 1.05 17.66 9.20 0.39 coo 45.75 16.58 39.61 47.43 18.26 45.54 15.64 9.91 6.99 14.95 7.19 11.14 coo 45.88 23.02 44.72 46.99 21.16 44.68 21.33 6.89 5.45 22.71 8.01 4.37 ULMN 3 2phk_c02 MC-PEPTIDE user 2 3 # 2 A 149 ASP B 210 ASP^? 16.02 O1 SO4 B 243 A 151 LYS B 183 LYS^? 10.90 O1 SO4 B 243 A 186 THR B 212 THR^? 14.56 O1 SO4 B 243 coo 41.42 17.90 44.98 43.39 18.36 45.61 -3.61 13.59 12.62 -5.22 13.58 13.96 coo 45.75 16.58 39.61 47.43 18.26 45.54 1.60 12.78 15.42 4.74 17.90 14.06 coo 45.88 23.02 44.72 46.99 21.16 44.68 -2.46 15.86 19.61 -4.11 14.69 20.29 2phk_c02 source 2phk MC-PEPTIDE : 2 hits 2phk_c02 naa= 3 ULMN 3 2pth_c00 PEPTIDYL-TRNA HYDROLASE user 1 3 # 1 10 ASN A 181 ASN^? 11.66 O3 SO4 A 243 20 HIS A 180 HIS^? 16.73 O4 SO4 A 243 93 ASP A 218 ASP~? 20.27 O4 SO4 A 243 coo 45.21 45.27 48.24 46.79 44.92 46.88 19.53 6.32 10.38 17.67 6.06 11.34 coo 47.05 39.55 45.24 48.99 39.30 44.46 23.63 8.86 13.89 25.45 9.53 13.13 coo 46.96 34.22 47.29 47.91 35.95 46.52 29.47 11.44 11.56 27.66 12.20 10.67 ULMN 3 2pth_c00 PEPTIDYL-TRNA HYDROLASE user 2 3 # 2 10 ASN A 238 ASN.? 20.43 O1 SO4 B 243 20 HIS B 180 HIS^? 17.04 O1 SO4 B 243 93 ASP B 218 ASP~? 20.31 O1 SO4 B 243 coo 45.21 45.27 48.24 46.79 44.92 46.88 4.36 9.82 19.56 4.38 7.70 19.35 coo 47.05 39.55 45.24 48.99 39.30 44.46 3.74 13.87 25.77 2.21 13.26 27.09 coo 46.96 34.22 47.29 47.91 35.95 46.52 -1.00 11.19 29.58 -0.84 10.48 27.56 ULMN 3 2pth_c00 PEPTIDYL-TRNA HYDROLASE user 3 3 # 3 10 ASN B 181 ASN^? 11.58 O1 SO4 B 243 20 HIS B 180 HIS^? 17.04 O1 SO4 B 243 93 ASP B 218 ASP~? 20.31 O1 SO4 B 243 coo 45.21 45.27 48.24 46.79 44.92 46.88 2.76 16.58 20.36 4.48 16.80 19.15 coo 47.05 39.55 45.24 48.99 39.30 44.46 3.74 13.87 25.77 2.21 13.26 27.09 coo 46.96 34.22 47.29 47.91 35.95 46.52 -1.00 11.19 29.58 -0.84 10.48 27.56 ULMN 3 2pth_c00 PEPTIDYL-TRNA HYDROLASE user 4 3 # 4 10 ASN B 238 ASN.? 19.44 O3 SO4 A 243 20 HIS A 180 HIS^? 16.73 O4 SO4 A 243 93 ASP A 218 ASP~? 20.27 O4 SO4 A 243 coo 45.21 45.27 48.24 46.79 44.92 46.88 17.45 13.57 12.63 18.87 14.00 11.14 coo 47.05 39.55 45.24 48.99 39.30 44.46 23.63 8.86 13.89 25.45 9.53 13.13 coo 46.96 34.22 47.29 47.91 35.95 46.52 29.47 11.44 11.56 27.66 12.20 10.67 2pth_c00 source 2pth PEPTIDYL-TRNA HYDROLASE : 4 hits 2pth_c00 naa= 3 ULMN 3 2rnf_c02 RIBONUCLEASE 4 user 1 3 # 1 A 12 HIS A 102 HIS^? 13.43 O1 SO4 A 243 A 40 LYS A 196 LYS~? 24.16 O1 SO4 A 243 A 116 HIS A 101 HIS.? 5.49 O3 SO4 A 243 coo 12.34 -0.45 10.80 13.53 1.19 11.34 10.89 -12.56 -1.72 11.39 -13.56 -3.50 coo 18.50 3.53 20.10 16.17 2.61 14.41 5.42 -4.88 -10.39 6.31 -8.43 -13.80 coo 14.70 6.01 5.61 14.27 7.69 6.78 12.44 -8.38 4.91 13.10 -6.40 5.14 2rnf_c02 source 2rnf RIBONUCLEASE 4 : 1 hits 2rnf_c02 naa= 3 ULMN 3 2rnf_c03 RIBONUCLEASE 4 user 1 3 # 1 B 12 HIS A 102 HIS^? 13.43 O1 SO4 A 243 B 40 LYS A 196 LYS~? 24.16 O1 SO4 A 243 B 116 HIS A 101 HIS.? 5.49 O3 SO4 A 243 coo -6.35 21.42 14.69 -6.06 23.46 15.04 10.89 -12.56 -1.72 11.39 -13.56 -3.50 coo -10.61 31.45 9.72 -8.75 26.69 13.45 5.42 -4.88 -10.39 6.31 -8.43 -13.80 coo -0.95 25.22 19.68 -0.68 26.73 18.24 12.44 -8.38 4.91 13.10 -6.40 5.14 2rnf_c03 source 2rnf RIBONUCLEASE 4 : 1 hits 2rnf_c03 naa= 3 ULMN 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 1 3 # 1 141 ASP A 137 ASP.? 20.28 O2 SO4 A 243 166 GLY A 83 GLY.? 24.12 O3 SO4 A 243 169 GLU B 208 GLU^? 18.08 O1 SO4 B 243 coo 8.28 6.87 1.62 10.08 5.77 1.34 -1.53 -10.78 4.66 -2.79 -9.50 3.60 coo -8.58 13.22 3.21 -8.90 13.15 4.05 -5.18 4.73 9.69 -5.65 4.08 9.83 coo -16.67 7.89 2.78 -17.65 6.56 1.49 -4.22 15.23 7.76 -6.03 14.17 7.93 ULMN 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 2 3 # 2 141 ASP A 199 ASP~? 23.37 O3 SO4 A 243 166 GLY A 83 GLY.? 24.12 O3 SO4 A 243 169 GLU B 208 GLU^? 18.08 O1 SO4 B 243 coo 8.28 6.87 1.62 10.08 5.77 1.34 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 coo -8.58 13.22 3.21 -8.90 13.15 4.05 -5.18 4.73 9.69 -5.65 4.08 9.83 coo -16.67 7.89 2.78 -17.65 6.56 1.49 -4.22 15.23 7.76 -6.03 14.17 7.93 ULMN 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 3 3 # 3 141 ASP A 201 ASP.? 28.67 O3 SO4 A 243 166 GLY B 203 GLY.? 27.50 O1 SO4 B 243 169 GLU B 194 GLU~? 20.15 O1 SO4 B 243 coo 8.28 6.87 1.62 10.08 5.77 1.34 -1.72 1.66 -11.39 -3.36 0.47 -11.68 coo -8.58 13.22 3.21 -8.90 13.15 4.05 -8.49 16.16 -5.67 -7.94 16.77 -5.44 coo -16.67 7.89 2.78 -17.65 6.56 1.49 -8.16 20.98 2.40 -10.14 20.22 2.52 ULMN 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 4 3 # 4 141 ASP B 201 ASP.? 28.94 O1 SO4 B 243 166 GLY A 203 GLY.? 27.18 O3 SO4 A 243 169 GLU A 194 GLU~? 19.96 O3 SO4 A 243 coo 8.28 6.87 1.62 10.08 5.77 1.34 -6.53 20.97 -8.85 -5.67 22.23 -10.32 coo -8.58 13.22 3.21 -8.90 13.15 4.05 2.03 6.37 -11.80 1.98 5.78 -11.24 coo -16.67 7.89 2.78 -17.65 6.56 1.49 8.83 1.58 -7.66 9.92 2.44 -9.22 2tdt_c00 source 2tdt TETRAHYDRODIPICOLINATE N-SUCCINYLTRANSFERASE : 4 hits 2tdt_c00 naa= 3 ULMN 3 2tmd_c00 TRIMETHYLAMINE DEHYDROGENASE user 1 3 # 1 A 169 TYR A 135 TYR^? 15.11 O3 SO4 A 243 A 172 HIS A 102 HIS^? 13.43 O1 SO4 A 243 A 267 ASP A 162 ASP.? 11.51 O1 SO4 A 243 coo 26.78 20.44 0.03 28.51 18.26 0.09 4.91 -9.76 0.70 5.77 -10.05 -1.99 coo 29.39 14.39 -1.75 31.15 15.06 -2.66 10.89 -12.56 -1.72 11.39 -13.56 -3.50 coo 33.26 12.70 -5.86 33.92 14.66 -5.47 14.78 -15.75 1.96 14.18 -15.13 0.01 ULMN 3 2tmd_c00 TRIMETHYLAMINE DEHYDROGENASE user 2 3 # 2 A 169 TYR A 222 TYR^? 7.75 O4 SO4 A 243 A 172 HIS A 167 HIS~? -3.76 O4 SO4 A 243s A 267 ASP A 168 ASP~? 7.04 O4 SO4 A 243 coo 26.78 20.44 0.03 28.51 18.26 0.09 23.05 0.50 5.53 21.22 0.35 7.67 coo 29.39 14.39 -1.75 31.15 15.06 -2.66 20.59 -3.79 11.26 20.06 -1.97 10.36 coo 33.26 12.70 -5.86 33.92 14.66 -5.47 22.19 -10.44 12.27 20.99 -10.59 13.96 ULMN 3 2tmd_c00 TRIMETHYLAMINE DEHYDROGENASE user 3 3 # 3 A 169 TYR B 135 TYR^? 15.04 O4 SO4 B 243 A 172 HIS B 102 HIS^? 13.40 O3 SO4 B 243 A 267 ASP B 162 ASP.? 11.47 O3 SO4 B 243 coo 26.78 20.44 0.03 28.51 18.26 0.09 1.17 32.43 2.94 -1.52 32.86 2.35 coo 29.39 14.39 -1.75 31.15 15.06 -2.66 -4.13 35.26 6.99 -5.90 36.34 6.69 coo 33.26 12.70 -5.86 33.92 14.66 -5.47 -2.91 38.69 12.19 -3.85 37.85 10.43 ULMN 3 2tmd_c00 TRIMETHYLAMINE DEHYDROGENASE user 4 3 # 4 A 169 TYR B 222 TYR^? 7.39 O1 SO4 B 243 A 172 HIS B 167 HIS~? -3.98 O2 SO4 B 243s A 267 ASP B 168 ASP~? 6.50 O2 SO4 B 243 coo 26.78 20.44 0.03 28.51 18.26 0.09 -3.31 22.23 21.14 -0.55 22.44 20.59 coo 29.39 14.39 -1.75 31.15 15.06 -2.66 2.71 26.62 21.63 2.19 24.83 20.66 coo 33.26 12.70 -5.86 33.92 14.66 -5.47 3.03 33.25 23.92 5.06 33.14 23.36 2tmd_c00 source 2tmd TRIMETHYLAMINE DEHYDROGENASE : 4 hits 2tmd_c00 naa= 3 ULMN 3 2tmd_c01 TRIMETHYLAMINE DEHYDROGENASE user 1 3 # 1 B 169 TYR A 135 TYR^? 15.11 O3 SO4 A 243 B 172 HIS A 102 HIS^? 13.43 O1 SO4 A 243 B 267 ASP A 162 ASP.? 11.51 O1 SO4 A 243 coo 44.86 1.98 33.27 42.75 1.12 31.67 4.91 -9.76 0.70 5.77 -10.05 -1.99 coo 40.83 -2.48 29.90 39.16 -2.39 31.17 10.89 -12.56 -1.72 11.39 -13.56 -3.50 coo 36.38 -5.89 31.55 36.22 -4.28 32.93 14.78 -15.75 1.96 14.18 -15.13 0.01 ULMN 3 2tmd_c01 TRIMETHYLAMINE DEHYDROGENASE user 2 3 # 2 B 169 TYR A 222 TYR^? 7.75 O4 SO4 A 243 B 172 HIS A 167 HIS~? -3.76 O4 SO4 A 243s B 267 ASP A 168 ASP~? 7.04 O4 SO4 A 243 coo 44.86 1.98 33.27 42.75 1.12 31.67 23.05 0.50 5.53 21.22 0.35 7.67 coo 40.83 -2.48 29.90 39.16 -2.39 31.17 20.59 -3.79 11.26 20.06 -1.97 10.36 coo 36.38 -5.89 31.55 36.22 -4.28 32.93 22.19 -10.44 12.27 20.99 -10.59 13.96 ULMN 3 2tmd_c01 TRIMETHYLAMINE DEHYDROGENASE user 3 3 # 3 B 169 TYR B 135 TYR^? 15.04 O4 SO4 B 243 B 172 HIS B 102 HIS^? 13.40 O3 SO4 B 243 B 267 ASP B 162 ASP.? 11.47 O3 SO4 B 243 coo 44.86 1.98 33.27 42.75 1.12 31.67 1.17 32.43 2.94 -1.52 32.86 2.35 coo 40.83 -2.48 29.90 39.16 -2.39 31.17 -4.13 35.26 6.99 -5.90 36.34 6.69 coo 36.38 -5.89 31.55 36.22 -4.28 32.93 -2.91 38.69 12.19 -3.85 37.85 10.43 ULMN 3 2tmd_c01 TRIMETHYLAMINE DEHYDROGENASE user 4 3 # 4 B 169 TYR B 222 TYR^? 7.39 O1 SO4 B 243 B 172 HIS B 167 HIS~? -3.98 O2 SO4 B 243s B 267 ASP B 168 ASP~? 6.50 O2 SO4 B 243 coo 44.86 1.98 33.27 42.75 1.12 31.67 -3.31 22.23 21.14 -0.55 22.44 20.59 coo 40.83 -2.48 29.90 39.16 -2.39 31.17 2.71 26.62 21.63 2.19 24.83 20.66 coo 36.38 -5.89 31.55 36.22 -4.28 32.93 3.03 33.25 23.92 5.06 33.14 23.36 2tmd_c01 source 2tmd TRIMETHYLAMINE DEHYDROGENASE : 4 hits 2tmd_c01 naa= 3 ULMN 3 2tmd_c02 TRIMETHYLAMINE DEHYDROGENASE user 1 3 # 1 A 169 TYR A 222 TYR^? 7.75 O4 SO4 A 243 A 172 HIS A 147 HIS^? 14.45 O3 SO4 A 243 A 174 TYR A 148 TYR^? 8.27 O1 SO4 A 243 coo 26.78 20.44 0.03 28.51 18.26 0.09 23.05 0.50 5.53 21.22 0.35 7.67 coo 29.39 14.39 -1.75 31.15 15.06 -2.66 22.73 1.14 -3.20 21.31 1.29 -4.76 coo 24.73 15.69 1.93 26.72 14.32 3.31 25.02 -3.19 2.22 22.65 -3.79 3.58 ULMN 3 2tmd_c02 TRIMETHYLAMINE DEHYDROGENASE user 2 3 # 2 A 169 TYR B 222 TYR^? 7.39 O1 SO4 B 243 A 172 HIS B 147 HIS^? 14.18 O1 SO4 B 243 A 174 TYR B 148 TYR^? 8.32 O1 SO4 B 243 coo 26.78 20.44 0.03 28.51 18.26 0.09 -3.31 22.23 21.14 -0.55 22.44 20.59 coo 29.39 14.39 -1.75 31.15 15.06 -2.66 -10.85 21.55 16.70 -11.51 21.37 14.71 coo 24.73 15.69 1.93 26.72 14.32 3.31 -7.17 25.88 21.30 -4.84 26.54 19.90 2tmd_c02 source 2tmd TRIMETHYLAMINE DEHYDROGENASE : 2 hits 2tmd_c02 naa= 3 ULMN 3 2tmd_c03 TRIMETHYLAMINE DEHYDROGENASE user 1 3 # 1 B 169 TYR A 222 TYR^? 7.75 O4 SO4 A 243 B 172 HIS A 147 HIS^? 14.45 O3 SO4 A 243 B 174 TYR A 148 TYR^? 8.27 O1 SO4 A 243 coo 44.86 1.98 33.27 42.75 1.12 31.67 23.05 0.50 5.53 21.22 0.35 7.67 coo 40.83 -2.48 29.90 39.16 -2.39 31.17 22.73 1.14 -3.20 21.31 1.29 -4.76 coo 45.95 0.11 28.25 43.87 0.82 26.55 25.02 -3.19 2.22 22.65 -3.79 3.58 ULMN 3 2tmd_c03 TRIMETHYLAMINE DEHYDROGENASE user 2 3 # 2 B 169 TYR B 222 TYR^? 7.39 O1 SO4 B 243 B 172 HIS B 147 HIS^? 14.18 O1 SO4 B 243 B 174 TYR B 148 TYR^? 8.32 O1 SO4 B 243 coo 44.86 1.98 33.27 42.75 1.12 31.67 -3.31 22.23 21.14 -0.55 22.44 20.59 coo 40.83 -2.48 29.90 39.16 -2.39 31.17 -10.85 21.55 16.70 -11.51 21.37 14.71 coo 45.95 0.11 28.25 43.87 0.82 26.55 -7.17 25.88 21.30 -4.84 26.54 19.90 2tmd_c03 source 2tmd TRIMETHYLAMINE DEHYDROGENASE : 2 hits 2tmd_c03 naa= 3 ULMN 3 2tpl_c04 TYROSINE PHENOL-LYASE user 1 3 # 1 A 122 TYR A 174 TYR~? 13.06 O4 SO4 A 243 A 214 ASP A 151 ASP.? 21.86 O1 SO4 A 243 A 256 LYS A 118 LYS~? 14.73 O3 SO4 A 243 coo -36.51 -15.34 5.35 -36.90 -16.76 7.69 31.39 -6.57 8.03 31.19 -7.97 5.66 coo -29.95 -11.32 -1.46 -28.83 -11.55 0.31 35.47 -0.09 -0.47 36.15 -0.37 -2.56 coo -18.13 -8.46 4.26 -20.75 -6.32 9.36 25.35 9.54 0.37 20.43 7.24 0.70 ULMN 3 2tpl_c04 TYROSINE PHENOL-LYASE user 2 3 # 2 A 122 TYR A 174 TYR~? 13.06 O4 SO4 A 243 A 214 ASP A 157 ASP~? 15.53 O1 SO4 A 243 A 256 LYS A 131 LYS^? 17.03 O1 SO4 A 243 coo -36.51 -15.34 5.35 -36.90 -16.76 7.69 31.39 -6.57 8.03 31.19 -7.97 5.66 coo -29.95 -11.32 -1.46 -28.83 -11.55 0.31 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo -18.13 -8.46 4.26 -20.75 -6.32 9.36 16.33 -5.43 -3.31 16.51 -3.10 -9.13 ULMN 3 2tpl_c04 TYROSINE PHENOL-LYASE user 3 3 # 3 A 122 TYR B 174 TYR~? 13.14 O2 SO4 B 243 A 214 ASP B 151 ASP.? 21.97 O3 SO4 B 243 A 256 LYS B 118 LYS~? 15.88 O1 SO4 B 243 coo -36.51 -15.34 5.35 -36.90 -16.76 7.69 -5.23 29.34 29.67 -7.24 30.79 28.42 coo -29.95 -11.32 -1.46 -28.83 -11.55 0.31 -14.61 22.77 29.21 -16.72 23.04 28.78 coo -18.13 -8.46 4.26 -20.75 -6.32 9.36 -8.85 13.11 20.72 -7.39 14.71 15.31 ULMN 3 2tpl_c04 TYROSINE PHENOL-LYASE user 4 3 # 4 A 122 TYR B 174 TYR~? 13.14 O2 SO4 B 243 A 214 ASP B 157 ASP~? 15.61 O3 SO4 B 243 A 256 LYS B 131 LYS^? 17.11 O1 SO4 B 243 coo -36.51 -15.34 5.35 -36.90 -16.76 7.69 -5.23 29.34 29.67 -7.24 30.79 28.42 coo -29.95 -11.32 -1.46 -28.83 -11.55 0.31 -12.32 32.41 21.01 -13.75 33.02 22.44 coo -18.13 -8.46 4.26 -20.75 -6.32 9.36 -7.93 28.07 10.94 -13.10 25.67 8.39 2tpl_c04 source 2tpl TYROSINE PHENOL-LYASE : 4 hits 2tpl_c04 naa= 3 ULMN 3 2tpl_c05 TYROSINE PHENOL-LYASE user 1 3 # 1 B 122 TYR A 174 TYR~? 13.06 O4 SO4 A 243 B 214 ASP A 151 ASP.? 21.86 O1 SO4 A 243 B 256 LYS A 118 LYS~? 14.73 O3 SO4 A 243 coo -32.67 22.74 10.17 -32.85 23.98 7.70 31.39 -6.57 8.03 31.19 -7.97 5.66 coo -26.88 17.61 16.89 -26.08 17.11 15.00 35.47 -0.09 -0.47 36.15 -0.37 -2.56 coo -16.04 12.06 11.09 -17.97 10.54 5.71 25.35 9.54 0.37 20.43 7.24 0.70 ULMN 3 2tpl_c05 TYROSINE PHENOL-LYASE user 2 3 # 2 B 122 TYR A 174 TYR~? 13.06 O4 SO4 A 243 B 214 ASP A 157 ASP~? 15.53 O1 SO4 A 243 B 256 LYS A 131 LYS^? 17.03 O1 SO4 A 243 coo -32.67 22.74 10.17 -32.85 23.98 7.70 31.39 -6.57 8.03 31.19 -7.97 5.66 coo -26.88 17.61 16.89 -26.08 17.11 15.00 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo -16.04 12.06 11.09 -17.97 10.54 5.71 16.33 -5.43 -3.31 16.51 -3.10 -9.13 ULMN 3 2tpl_c05 TYROSINE PHENOL-LYASE user 3 3 # 3 B 122 TYR B 174 TYR~? 13.14 O2 SO4 B 243 B 214 ASP B 151 ASP.? 21.97 O3 SO4 B 243 B 256 LYS B 118 LYS~? 15.88 O1 SO4 B 243 coo -32.67 22.74 10.17 -32.85 23.98 7.70 -5.23 29.34 29.67 -7.24 30.79 28.42 coo -26.88 17.61 16.89 -26.08 17.11 15.00 -14.61 22.77 29.21 -16.72 23.04 28.78 coo -16.04 12.06 11.09 -17.97 10.54 5.71 -8.85 13.11 20.72 -7.39 14.71 15.31 ULMN 3 2tpl_c05 TYROSINE PHENOL-LYASE user 4 3 # 4 B 122 TYR B 174 TYR~? 13.14 O2 SO4 B 243 B 214 ASP B 157 ASP~? 15.61 O3 SO4 B 243 B 256 LYS B 131 LYS^? 17.11 O1 SO4 B 243 coo -32.67 22.74 10.17 -32.85 23.98 7.70 -5.23 29.34 29.67 -7.24 30.79 28.42 coo -26.88 17.61 16.89 -26.08 17.11 15.00 -12.32 32.41 21.01 -13.75 33.02 22.44 coo -16.04 12.06 11.09 -17.97 10.54 5.71 -7.93 28.07 10.94 -13.10 25.67 8.39 2tpl_c05 source 2tpl TYROSINE PHENOL-LYASE : 4 hits 2tpl_c05 naa= 3 ULMN 1 1kbk_p00 ALPHA-AMYLASE, PANCREATIC user 1 1 # 1 A 461 ASN A 86 ASN^? 19.46 O3 SO4 A 243 coo 5.80 63.03 55.85 5.52 65.03 56.45 0.73 1.51 12.30 0.01 3.33 13.10 ULMN 1 1kbk_p00 ALPHA-AMYLASE, PANCREATIC user 2 1 # 2 A 461 ASN A 136 ASN.? 17.89 O2 SO4 A 243 coo 5.80 63.03 55.85 5.52 65.03 56.45 0.79 -6.12 4.86 -1.05 -6.29 5.90 ULMN 1 1kbk_p00 ALPHA-AMYLASE, PANCREATIC user 3 1 # 3 A 461 ASN A 181 ASN^? 11.66 O3 SO4 A 243 coo 5.80 63.03 55.85 5.52 65.03 56.45 19.53 6.32 10.38 17.67 6.06 11.34 ULMN 1 1kbk_p00 ALPHA-AMYLASE, PANCREATIC user 4 1 # 4 A 461 ASN A 186 ASN^? 21.74 O3 SO4 A 243 coo 5.80 63.03 55.85 5.52 65.03 56.45 9.75 12.61 -1.00 11.18 14.16 -0.53 ULMN 1 1kbk_p00 ALPHA-AMYLASE, PANCREATIC user 5 1 # 5 A 461 ASN A 217 ASN~? 21.76 O4 SO4 A 243 coo 5.80 63.03 55.85 5.52 65.03 56.45 33.86 8.35 13.24 35.05 7.27 14.73 ULMN 1 1kbk_p00 ALPHA-AMYLASE, PANCREATIC user 6 1 # 6 A 461 ASN A 231 ASN.? 25.70 O3 SO4 A 243 coo 5.80 63.03 55.85 5.52 65.03 56.45 -4.01 3.19 -0.61 -4.89 4.35 -2.16 ULMN 1 1kbk_p00 ALPHA-AMYLASE, PANCREATIC user 7 1 # 7 A 461 ASN A 238 ASN.? 20.43 O1 SO4 B 243 coo 5.80 63.03 55.85 5.52 65.03 56.45 4.36 9.82 19.56 4.38 7.70 19.35 ULMN 1 1kbk_p00 ALPHA-AMYLASE, PANCREATIC user 8 1 # 8 A 461 ASN B 86 ASN^? 20.33 O4 SO4 B 243 coo 5.80 63.03 55.85 5.52 65.03 56.45 13.50 20.08 4.89 14.85 20.31 3.24 ULMN 1 1kbk_p00 ALPHA-AMYLASE, PANCREATIC user 9 1 # 9 A 461 ASN B 136 ASN.? 14.49 O4 SO4 B 243 coo 5.80 63.03 55.85 5.52 65.03 56.45 7.06 29.24 3.43 9.17 29.25 3.86 ULMN 1 1kbk_p00 ALPHA-AMYLASE, PANCREATIC user 10 1 # 10 A 461 ASN B 181 ASN^? 11.58 O1 SO4 B 243 coo 5.80 63.03 55.85 5.52 65.03 56.45 2.76 16.58 20.36 4.48 16.80 19.15 ULMN 1 1kbk_p00 ALPHA-AMYLASE, PANCREATIC user 11 1 # 11 A 461 ASN B 186 ASN^? 21.89 O1 SO4 B 243 coo 5.80 63.03 55.85 5.52 65.03 56.45 -2.69 10.01 6.36 -2.94 8.50 7.82 ULMN 1 1kbk_p00 ALPHA-AMYLASE, PANCREATIC user 12 1 # 12 A 461 ASN B 217 ASN~? 23.07 O2 SO4 B 243 coo 5.80 63.03 55.85 5.52 65.03 56.45 -1.00 13.67 34.56 0.23 13.89 36.29 ULMN 1 1kbk_p00 ALPHA-AMYLASE, PANCREATIC user 13 1 # 13 A 461 ASN B 231 ASN.? 26.15 O1 SO4 B 243 coo 5.80 63.03 55.85 5.52 65.03 56.45 4.19 19.46 -5.53 3.38 18.27 -7.08 ULMN 1 1kbk_p00 ALPHA-AMYLASE, PANCREATIC user 14 1 # 14 A 461 ASN B 238 ASN.? 19.44 O3 SO4 A 243 coo 5.80 63.03 55.85 5.52 65.03 56.45 17.45 13.57 12.63 18.87 14.00 11.14 1kbk_p00 source 1kbk ALPHA-AMYLASE, PANCREATIC : 14 hits 1kbk_p00 naa= 1 ULMN 3 1o8s_p00 PUTATIVE ENDO-XYLANASE user 1 3 # 1 A 56 TYR A 222 TYR^? 7.75 O4 SO4 A 243 A 112 PHE A 214 PHE^? 16.42 O4 SO4 A 243 A 140 ASN A 181 ASN^? 11.66 O3 SO4 A 243 coo -6.29 44.15 17.65 -9.00 44.92 17.68 23.05 0.50 5.53 21.22 0.35 7.67 coo -7.38 52.77 16.75 -5.54 52.71 18.82 25.42 8.26 9.60 24.80 10.09 7.51 coo -4.46 50.64 12.29 -5.69 49.89 13.85 19.53 6.32 10.38 17.67 6.06 11.34 ULMN 3 1o8s_p00 PUTATIVE ENDO-XYLANASE user 2 3 # 2 A 56 TYR B 88 TYR^? 16.84 O4 SO4 B 243 A 112 PHE B 235 PHE^? 17.00 O1 SO4 B 243 A 140 ASN B 86 ASN^? 20.33 O4 SO4 B 243 coo -6.29 44.15 17.65 -9.00 44.92 17.68 13.32 18.89 11.69 16.09 18.37 11.55 coo -7.38 52.77 16.75 -5.54 52.71 18.82 7.49 15.52 6.10 4.98 16.64 5.60 coo -4.46 50.64 12.29 -5.69 49.89 13.85 13.50 20.08 4.89 14.85 20.31 3.24 ULMN 3 1o8s_p00 PUTATIVE ENDO-XYLANASE user 3 3 # 3 A 56 TYR B 222 TYR^? 7.39 O1 SO4 B 243 A 112 PHE B 214 PHE^? 16.19 O1 SO4 B 243 A 140 ASN B 181 ASN^? 11.58 O1 SO4 B 243 coo -6.29 44.15 17.65 -9.00 44.92 17.68 -3.31 22.23 21.14 -0.55 22.44 20.59 coo -7.38 52.77 16.75 -5.54 52.71 18.82 -0.87 14.52 25.18 -2.34 12.71 23.57 coo -4.46 50.64 12.29 -5.69 49.89 13.85 2.76 16.58 20.36 4.48 16.80 19.15 1o8s_p00 source 1o8s PUTATIVE ENDO-XYLANASE : 3 hits 1o8s_p00 naa= 3 ULMN 3 1uy2_p00 ENDO-1,4-BETA-XYLANASE A user 1 3 # 1 A 51 TYR B 88 TYR^? 16.84 O4 SO4 B 243 A 108 ASN A 181 ASN^? 11.66 O3 SO4 A 243 A 135 ASN B 238 ASN.? 19.44 O3 SO4 A 243 coo 17.59 4.66 17.88 15.38 5.96 18.97 13.32 18.89 11.69 16.09 18.37 11.55 coo 12.36 16.24 15.27 12.06 14.29 16.05 19.53 6.32 10.38 17.67 6.06 11.34 coo 18.05 11.56 12.71 17.57 10.75 14.60 17.45 13.57 12.63 18.87 14.00 11.14 ULMN 3 1uy2_p00 ENDO-1,4-BETA-XYLANASE A user 2 3 # 2 A 51 TYR B 222 TYR^? 7.39 O1 SO4 B 243 A 108 ASN A 238 ASN.? 20.43 O1 SO4 B 243 A 135 ASN B 181 ASN^? 11.58 O1 SO4 B 243 coo 17.59 4.66 17.88 15.38 5.96 18.97 -3.31 22.23 21.14 -0.55 22.44 20.59 coo 12.36 16.24 15.27 12.06 14.29 16.05 4.36 9.82 19.56 4.38 7.70 19.35 coo 18.05 11.56 12.71 17.57 10.75 14.60 2.76 16.58 20.36 4.48 16.80 19.15 1uy2_p00 source 1uy2 ENDO-1,4-BETA-XYLANASE A : 2 hits 1uy2_p00 naa= 3 ULMN 3 1uy4_p00 ENDO-1,4-BETA-XYLANASE A user 1 3 # 1 A 51 TYR B 88 TYR^? 16.84 O4 SO4 B 243 A 108 ASN A 181 ASN^? 11.66 O3 SO4 A 243 A 135 ASN B 238 ASN.? 19.44 O3 SO4 A 243 coo 17.50 4.57 17.85 15.28 5.88 18.97 13.32 18.89 11.69 16.09 18.37 11.55 coo 12.22 15.98 15.24 11.94 14.05 16.09 19.53 6.32 10.38 17.67 6.06 11.34 coo 17.94 11.43 12.65 17.42 10.61 14.53 17.45 13.57 12.63 18.87 14.00 11.14 ULMN 3 1uy4_p00 ENDO-1,4-BETA-XYLANASE A user 2 3 # 2 A 51 TYR B 222 TYR^? 7.39 O1 SO4 B 243 A 108 ASN A 238 ASN.? 20.43 O1 SO4 B 243 A 135 ASN B 181 ASN^? 11.58 O1 SO4 B 243 coo 17.50 4.57 17.85 15.28 5.88 18.97 -3.31 22.23 21.14 -0.55 22.44 20.59 coo 12.22 15.98 15.24 11.94 14.05 16.09 4.36 9.82 19.56 4.38 7.70 19.35 coo 17.94 11.43 12.65 17.42 10.61 14.53 2.76 16.58 20.36 4.48 16.80 19.15 1uy4_p00 source 1uy4 ENDO-1,4-BETA-XYLANASE A : 2 hits 1uy4_p00 naa= 3 ULMN 3 1hwt_d00 GENE REGULATION/DNA user 1 3 # 1 C 70 ARG A 132 ARG^? -2.74 O1 SO4 A 243s C 71 LYS A 131 LYS^? 17.03 O1 SO4 A 243 C 72 VAL A 145 VAL^? 12.09 O3 SO4 A 243 coo 23.89 33.54 29.21 26.59 34.86 28.68 16.18 -7.91 2.07 16.78 -6.68 4.89 coo 25.82 26.89 29.68 23.33 22.98 25.84 16.33 -5.43 -3.31 16.51 -3.10 -9.13 coo 28.86 29.08 30.37 28.04 31.02 29.93 16.49 -1.00 -2.28 16.53 -0.53 -4.42 ULMN 3 1hwt_d00 GENE REGULATION/DNA user 2 3 # 2 C 70 ARG B 132 ARG^? -2.94 O3 SO4 B 243s C 71 LYS B 131 LYS^? 17.11 O1 SO4 B 243 C 72 VAL B 145 VAL^? 12.05 O1 SO4 B 243 coo 23.89 33.54 29.21 26.59 34.86 28.68 -3.03 30.55 13.28 -1.00 29.32 15.28 coo 25.82 26.89 29.68 23.33 22.98 25.84 -7.93 28.07 10.94 -13.10 25.67 8.39 coo 28.86 29.08 30.37 28.04 31.02 29.93 -7.07 23.67 11.65 -8.99 23.06 10.65 1hwt_d00 source 1hwt GENE REGULATION/DNA : 2 hits 1hwt_d00 naa= 3 ULMN 4 1ksy_d00 REPLICATION/DNA user 1 4 # 1 A 184 ASN A 238 ASN.? 20.43 O1 SO4 B 243 A 186 LYS B 183 LYS^? 10.90 O1 SO4 B 243 A 187 THR B 182 THR^? 16.95 O1 SO4 B 243 A 188 THR B 212 THR^? 14.56 O1 SO4 B 243 coo 25.39 17.17 15.20 25.42 18.83 16.53 4.36 9.82 19.56 4.38 7.70 19.35 coo 22.81 17.79 19.50 24.67 22.13 22.12 1.60 12.78 15.42 4.74 17.90 14.06 coo 20.63 16.49 16.67 20.98 15.87 14.64 1.54 12.39 19.21 -0.05 11.17 20.12 coo 17.30 15.58 18.26 16.23 17.43 18.52 -2.46 15.86 19.61 -4.11 14.69 20.29 ULMN 4 1ksy_d00 REPLICATION/DNA user 2 4 # 2 A 184 ASN B 238 ASN.? 19.44 O3 SO4 A 243 A 186 LYS A 183 LYS^? 12.80 O3 SO4 A 243 A 187 THR A 182 THR^? 16.89 O3 SO4 A 243 A 188 THR A 212 THR^? 14.79 O3 SO4 A 243 coo 25.39 17.17 15.20 25.42 18.83 16.53 17.45 13.57 12.63 18.87 14.00 11.14 coo 22.81 17.79 19.50 24.67 22.13 22.12 15.64 9.91 6.99 14.95 7.19 11.14 coo 20.63 16.49 16.67 20.98 15.87 14.64 18.93 10.40 8.73 19.72 11.55 7.13 coo 17.30 15.58 18.26 16.23 17.43 18.52 21.33 6.89 5.45 22.71 8.01 4.37 1ksy_d00 source 1ksy REPLICATION/DNA : 2 hits 1ksy_d00 naa= 4 ULMN 3 1pyi_d00 PROTEIN (PYRIMIDINE PATHWAY REGULATOuser 1 3 # 1 A 40 LYS A 183 LYS^? 12.80 O3 SO4 A 243 A 41 LYS A 211 LYS^? 6.62 O3 SO4 A 243 A 42 ILE A 209 ILE^? 13.38 O3 SO4 A 243 coo 36.07 63.73 124.22 32.72 60.75 122.39 15.64 9.91 6.99 14.95 7.19 11.14 coo 38.49 66.12 125.64 35.69 66.71 131.25 17.59 6.59 4.81 17.28 1.50 8.69 coo 41.08 63.27 123.17 40.13 62.43 122.44 11.45 6.22 4.03 11.30 7.18 5.14 ULMN 3 1pyi_d00 PROTEIN (PYRIMIDINE PATHWAY REGULATOuser 2 3 # 2 A 40 LYS A 211 LYS^? 6.62 O3 SO4 A 243 A 41 LYS A 183 LYS^? 12.80 O3 SO4 A 243 A 42 ILE A 209 ILE^? 13.38 O3 SO4 A 243 coo 36.07 63.73 124.22 32.72 60.75 122.39 17.59 6.59 4.81 17.28 1.50 8.69 coo 38.49 66.12 125.64 35.69 66.71 131.25 15.64 9.91 6.99 14.95 7.19 11.14 coo 41.08 63.27 123.17 40.13 62.43 122.44 11.45 6.22 4.03 11.30 7.18 5.14 ULMN 3 1pyi_d00 PROTEIN (PYRIMIDINE PATHWAY REGULATOuser 3 3 # 3 A 40 LYS B 183 LYS^? 10.90 O1 SO4 B 243 A 41 LYS B 211 LYS^? 7.04 O1 SO4 B 243 A 42 ILE B 209 ILE^? 13.54 O1 SO4 B 243 coo 36.07 63.73 124.22 32.72 60.75 122.39 1.60 12.78 15.42 4.74 17.90 14.06 coo 38.49 66.12 125.64 35.69 66.71 131.25 -1.16 16.10 16.00 2.65 20.89 17.79 coo 41.08 63.27 123.17 40.13 62.43 122.44 0.95 16.51 10.31 2.13 15.51 10.75 ULMN 3 1pyi_d00 PROTEIN (PYRIMIDINE PATHWAY REGULATOuser 4 3 # 4 A 40 LYS B 211 LYS^? 7.04 O1 SO4 B 243 A 41 LYS B 183 LYS^? 10.90 O1 SO4 B 243 A 42 ILE B 209 ILE^? 13.54 O1 SO4 B 243 coo 36.07 63.73 124.22 32.72 60.75 122.39 -1.16 16.10 16.00 2.65 20.89 17.79 coo 38.49 66.12 125.64 35.69 66.71 131.25 1.60 12.78 15.42 4.74 17.90 14.06 coo 41.08 63.27 123.17 40.13 62.43 122.44 0.95 16.51 10.31 2.13 15.51 10.75 1pyi_d00 source 1pyi PROTEIN (PYRIMIDINE PATHWAY REGULATOR 1) : 4 hits 1pyi_d00 naa= 3 ULMN 3 2z3x_d00 DNA BINDING PROTEIN/DNA user 1 3 # 1 B 34 SER B 239 SER.? 13.78 O3 SO4 A 243 B 37 ASN A 181 ASN^? 11.66 O3 SO4 A 243 B 45 THR A 146 THR^? 7.52 O3 SO4 A 243 coo -19.49 41.97 71.08 -17.37 40.80 71.17 16.84 9.01 14.32 16.23 6.75 15.02 coo -23.05 39.62 69.74 -22.86 39.59 67.61 19.53 6.32 10.38 17.67 6.06 11.34 coo -30.87 34.84 80.57 -28.94 34.51 81.49 19.64 -0.72 -0.03 19.44 -1.19 2.07 ULMN 3 2z3x_d00 DNA BINDING PROTEIN/DNA user 2 3 # 2 B 34 SER B 239 SER.? 13.78 O3 SO4 A 243 B 37 ASN B 238 ASN.? 19.44 O3 SO4 A 243 B 45 THR B 234 THR^? 22.19 O1 SO4 B 243 coo -19.49 41.97 71.08 -17.37 40.80 71.17 16.84 9.01 14.32 16.23 6.75 15.02 coo -23.05 39.62 69.74 -22.86 39.59 67.61 17.45 13.57 12.63 18.87 14.00 11.14 coo -30.87 34.84 80.57 -28.94 34.51 81.49 9.89 17.01 2.18 11.66 16.49 1.08 2z3x_d00 source 2z3x DNA BINDING PROTEIN/DNA : 2 hits 2z3x_d00 naa= 3 ULMN 3 3gxq_d00 DNA BINDING PROTEIN/DNA user 1 3 # 1 A 18 SER A 105 SER^? 14.75 O1 SO4 A 243 A 20 HIS A 102 HIS^? 13.43 O1 SO4 A 243 A 22 LEU A 134 LEU^? 8.61 O3 SO4 A 243 coo -2.78 -5.11 11.04 -4.18 -3.84 9.51 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo -8.47 -0.77 9.86 -9.21 0.76 8.62 10.89 -12.56 -1.72 11.39 -13.56 -3.50 coo -14.55 2.62 13.63 -14.94 2.66 11.50 8.76 -5.84 3.97 8.69 -6.06 6.17 ULMN 3 3gxq_d00 DNA BINDING PROTEIN/DNA user 2 3 # 2 A 18 SER A 112 SER~? 20.45 O3 SO4 A 243 A 20 HIS A 147 HIS^? 14.45 O3 SO4 A 243 A 22 LEU A 130 LEU^? 7.88 O1 SO4 A 243 coo -2.78 -5.11 11.04 -4.18 -3.84 9.51 25.66 6.18 -8.96 23.56 6.25 -7.69 coo -8.47 -0.77 9.86 -9.21 0.76 8.62 22.73 1.14 -3.20 21.31 1.29 -4.76 coo -14.55 2.62 13.63 -14.94 2.66 11.50 20.36 -5.60 -0.86 19.43 -7.11 0.44 ULMN 3 3gxq_d00 DNA BINDING PROTEIN/DNA user 3 3 # 3 A 18 SER A 112 SER~? 20.45 O3 SO4 A 243 A 20 HIS A 147 HIS^? 14.45 O3 SO4 A 243 A 22 LEU A 225 LEU^? 14.26 O3 SO4 A 243 coo -2.78 -5.11 11.04 -4.18 -3.84 9.51 25.66 6.18 -8.96 23.56 6.25 -7.69 coo -8.47 -0.77 9.86 -9.21 0.76 8.62 22.73 1.14 -3.20 21.31 1.29 -4.76 coo -14.55 2.62 13.63 -14.94 2.66 11.50 15.30 4.05 -1.60 15.67 5.96 -2.55 ULMN 3 3gxq_d00 DNA BINDING PROTEIN/DNA user 4 3 # 4 A 18 SER A 195 SER~? 24.26 O3 SO4 A 243 A 20 HIS A 229 HIS^? 22.39 O3 SO4 A 243 A 22 LEU A 141 LEU^? 13.35 O3 SO4 A 243 coo -2.78 -5.11 11.04 -4.18 -3.84 9.51 4.31 -1.23 -10.07 4.20 -1.50 -12.49 coo -8.47 -0.77 9.86 -9.21 0.76 8.62 -0.05 2.05 -3.08 -1.62 2.78 -4.27 coo -14.55 2.62 13.63 -14.94 2.66 11.50 3.76 -3.67 3.51 4.30 -2.85 5.44 ULMN 3 3gxq_d00 DNA BINDING PROTEIN/DNA user 5 3 # 5 A 18 SER B 105 SER^? 14.66 O3 SO4 B 243 A 20 HIS B 102 HIS^? 13.40 O3 SO4 B 243 A 22 LEU B 134 LEU^? 9.05 O4 SO4 B 243 coo -2.78 -5.11 11.04 -4.18 -3.84 9.51 -11.13 32.24 11.11 -11.87 30.19 10.06 coo -8.47 -0.77 9.86 -9.21 0.76 8.62 -4.13 35.26 6.99 -5.90 36.34 6.69 coo -14.55 2.62 13.63 -14.94 2.66 11.50 2.05 28.46 7.83 4.23 28.62 8.18 ULMN 3 3gxq_d00 DNA BINDING PROTEIN/DNA user 6 3 # 6 A 18 SER B 112 SER~? 20.39 O1 SO4 B 243 A 20 HIS B 147 HIS^? 14.18 O1 SO4 B 243 A 22 LEU B 130 LEU^? 7.99 O3 SO4 B 243 coo -2.78 -5.11 11.04 -4.18 -3.84 9.51 -17.32 16.39 16.51 -15.28 16.26 15.24 coo -8.47 -0.77 9.86 -9.21 0.76 8.62 -10.85 21.55 16.70 -11.51 21.37 14.71 coo -14.55 2.62 13.63 -14.94 2.66 11.50 -7.71 28.25 15.68 -6.15 29.78 15.51 ULMN 3 3gxq_d00 DNA BINDING PROTEIN/DNA user 7 3 # 7 A 18 SER B 112 SER~? 20.39 O1 SO4 B 243 A 20 HIS B 147 HIS^? 14.18 O1 SO4 B 243 A 22 LEU B 225 LEU^? 14.24 O1 SO4 B 243 coo -2.78 -5.11 11.04 -4.18 -3.84 9.51 -17.32 16.39 16.51 -15.28 16.26 15.24 coo -8.47 -0.77 9.86 -9.21 0.76 8.62 -10.85 21.55 16.70 -11.51 21.37 14.71 coo -14.55 2.62 13.63 -14.94 2.66 11.50 -5.80 18.54 10.91 -6.95 16.76 10.96 ULMN 3 3gxq_d00 DNA BINDING PROTEIN/DNA user 8 3 # 8 A 18 SER B 195 SER~? 24.29 O1 SO4 B 243 A 20 HIS B 229 HIS^? 22.78 O1 SO4 B 243 A 22 LEU B 141 LEU^? 14.30 O4 SO4 B 243 coo -2.78 -5.11 11.04 -4.18 -3.84 9.51 -8.00 23.84 -2.71 -9.97 24.14 -3.95 coo -8.47 -0.77 9.86 -9.21 0.76 8.62 0.17 20.57 -3.28 -0.12 19.82 -5.21 coo -14.55 2.62 13.63 -14.94 2.66 11.50 4.07 26.44 3.30 5.85 25.23 3.32 3gxq_d00 source 3gxq DNA BINDING PROTEIN/DNA : 8 hits 3gxq_d00 naa= 3 ULMN 4 3odc_d00 DNA BINDING PROTEIN/DNA user 1 4 # 1 B 122 ARG A 132 ARG^? -2.74 O1 SO4 A 243s B 148 LYS A 118 LYS~? 14.73 O3 SO4 A 243 B 151 LEU A 119 LEU~? 16.15 O3 SO4 A 243 B 154 ILE A 115 ILE~? 17.35 O3 SO4 A 243 coo 13.00 32.05 60.31 16.02 31.73 59.80 16.18 -7.91 2.07 16.78 -6.68 4.89 coo 11.05 44.13 44.68 12.77 44.45 49.56 25.35 9.54 0.37 20.43 7.24 0.70 coo 11.72 38.91 44.77 13.11 39.67 46.23 28.08 5.51 0.47 26.58 3.94 0.74 coo 7.03 36.97 46.99 7.83 37.90 47.52 24.50 5.39 -4.58 23.65 4.72 -3.66 ULMN 4 3odc_d00 DNA BINDING PROTEIN/DNA user 2 4 # 2 B 122 ARG B 132 ARG^? -2.94 O3 SO4 B 243s B 148 LYS B 118 LYS~? 15.88 O1 SO4 B 243 B 151 LEU B 119 LEU~? 15.74 O1 SO4 B 243 B 154 ILE B 115 ILE~? 17.12 O1 SO4 B 243 coo 13.00 32.05 60.31 16.02 31.73 59.80 -3.03 30.55 13.28 -1.00 29.32 15.28 coo 11.05 44.13 44.68 12.77 44.45 49.56 -8.85 13.11 20.72 -7.39 14.71 15.31 coo 11.72 38.91 44.77 13.11 39.67 46.23 -10.08 17.19 23.08 -9.19 18.75 22.06 coo 7.03 36.97 46.99 7.83 37.90 47.52 -12.94 17.24 17.68 -11.67 17.89 17.31 3odc_d00 source 3odc DNA BINDING PROTEIN/DNA : 2 hits 3odc_d00 naa= 4 ULMN 3 3qrf_d00 DNA BINDING PROTEIN/DNA user 1 3 # 1 G 386 ARG A 132 ARG^? -2.74 O1 SO4 A 243s G 387 HIS A 106 HIS^? 13.08 O1 SO4 A 243 G 390 SER A 105 SER^? 14.75 O1 SO4 A 243 coo 93.17 52.97 31.81 95.66 54.71 32.14 16.18 -7.91 2.07 16.78 -6.68 4.89 coo 95.60 53.07 40.31 97.10 52.52 41.67 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo 93.25 46.91 38.79 94.12 47.43 36.62 17.97 -9.58 -6.03 17.57 -7.57 -7.37 ULMN 3 3qrf_d00 DNA BINDING PROTEIN/DNA user 2 3 # 2 G 386 ARG B 132 ARG^? -2.94 O3 SO4 B 243s G 387 HIS B 102 HIS^? 13.40 O3 SO4 B 243 G 390 SER B 105 SER^? 14.66 O3 SO4 B 243 coo 93.17 52.97 31.81 95.66 54.71 32.14 -3.03 30.55 13.28 -1.00 29.32 15.28 coo 95.60 53.07 40.31 97.10 52.52 41.67 -4.13 35.26 6.99 -5.90 36.34 6.69 coo 93.25 46.91 38.79 94.12 47.43 36.62 -11.13 32.24 11.11 -11.87 30.19 10.06 ULMN 3 3qrf_d00 DNA BINDING PROTEIN/DNA user 3 3 # 3 G 386 ARG B 132 ARG^? -2.94 O3 SO4 B 243s G 387 HIS B 106 HIS^? 13.01 O3 SO4 B 243 G 390 SER B 105 SER^? 14.66 O3 SO4 B 243 coo 93.17 52.97 31.81 95.66 54.71 32.14 -3.03 30.55 13.28 -1.00 29.32 15.28 coo 95.60 53.07 40.31 97.10 52.52 41.67 -11.40 33.04 16.07 -11.74 35.05 16.56 coo 93.25 46.91 38.79 94.12 47.43 36.62 -11.13 32.24 11.11 -11.87 30.19 10.06 3qrf_d00 source 3qrf DNA BINDING PROTEIN/DNA : 3 hits 3qrf_d00 naa= 3 ULMN 3 3ssc_d00 DNA BINDING PROTEIN/DNA user 1 3 # 1 A 21 GLN B 139 GLN.? 20.21 O4 SO4 B 243 A 41 TYR B 135 TYR^? 15.04 O4 SO4 B 243 A 43 ASN B 136 ASN.? 14.49 O4 SO4 B 243 coo 22.03 6.35 12.16 20.71 6.08 10.54 3.87 27.89 -2.04 5.30 26.56 -2.87 coo 18.67 0.21 9.03 16.70 -1.66 8.55 1.17 32.43 2.94 -1.52 32.86 2.35 coo 14.90 7.30 8.78 14.25 8.14 6.97 7.06 29.24 3.43 9.17 29.25 3.86 3ssc_d00 source 3ssc DNA BINDING PROTEIN/DNA : 1 hits 3ssc_d00 naa= 3 ULMN 4 1e3w_o00 SHORT CHAIN 3-HYDROXYACYL-COA DEHYDRuser 1 4 # 1 A 41 ASP A 210 ASP^? 16.17 O3 SO4 A 243 A 64 ASN A 186 ASN^? 21.74 O3 SO4 A 243 A 168 TYR A 197 TYR~? 17.30 O1 SO4 A 243 A 172 LYS A 196 LYS~? 24.16 O1 SO4 A 243 coo 29.31 2.47 30.64 27.42 3.34 30.67 15.65 9.10 1.05 17.66 9.20 0.39 coo 28.76 0.05 39.20 27.05 1.09 39.77 9.75 12.61 -1.00 11.18 14.16 -0.53 coo 18.34 15.14 38.14 19.89 15.29 35.79 9.27 -5.67 -7.32 11.22 -6.86 -8.96 coo 23.68 18.08 40.55 24.55 14.70 36.44 5.42 -4.88 -10.39 6.31 -8.43 -13.80 ULMN 4 1e3w_o00 SHORT CHAIN 3-HYDROXYACYL-COA DEHYDRuser 2 4 # 2 A 41 ASP B 210 ASP^? 16.02 O1 SO4 B 243 A 64 ASN B 186 ASN^? 21.89 O1 SO4 B 243 A 168 TYR B 197 TYR~? 17.25 O3 SO4 B 243 A 172 LYS B 196 LYS~? 22.85 O3 SO4 B 243 coo 29.31 2.47 30.64 27.42 3.34 30.67 -3.61 13.59 12.62 -5.22 13.58 13.96 coo 28.76 0.05 39.20 27.05 1.09 39.77 -2.69 10.01 6.36 -2.94 8.50 7.82 coo 18.34 15.14 38.14 19.89 15.29 35.79 -8.04 28.46 2.86 -10.26 29.82 3.98 coo 23.68 18.08 40.55 24.55 14.70 36.44 -8.91 27.48 -2.00 -11.17 32.01 -1.90 1e3w_o00 source 1E3W SHORT CHAIN 3-HYDROXYACYL-COA DEHYDROGENASE : 2 hits 1e3w_o00 naa= 4 ULMN 4 1e3w_o01 SHORT CHAIN 3-HYDROXYACYL-COA DEHYDRuser 1 4 # 1 B 41 ASP A 210 ASP^? 16.17 O3 SO4 A 243 B 64 ASN A 186 ASN^? 21.74 O3 SO4 A 243 B 168 TYR A 197 TYR~? 17.30 O1 SO4 A 243 B 172 LYS A 196 LYS~? 24.16 O1 SO4 A 243 coo 19.32 16.82 68.75 21.27 17.38 68.21 15.65 9.10 1.05 17.66 9.20 0.39 coo 19.81 9.29 63.74 21.59 9.79 62.74 9.75 12.61 -1.00 11.18 14.16 -0.53 coo 30.76 21.17 55.02 29.25 22.88 56.57 9.27 -5.67 -7.32 11.22 -6.86 -8.96 coo 25.62 21.96 51.22 24.55 22.11 56.49 5.42 -4.88 -10.39 6.31 -8.43 -13.80 ULMN 4 1e3w_o01 SHORT CHAIN 3-HYDROXYACYL-COA DEHYDRuser 2 4 # 2 B 41 ASP B 210 ASP^? 16.02 O1 SO4 B 243 B 64 ASN B 186 ASN^? 21.89 O1 SO4 B 243 B 168 TYR B 197 TYR~? 17.25 O3 SO4 B 243 B 172 LYS B 196 LYS~? 22.85 O3 SO4 B 243 coo 19.32 16.82 68.75 21.27 17.38 68.21 -3.61 13.59 12.62 -5.22 13.58 13.96 coo 19.81 9.29 63.74 21.59 9.79 62.74 -2.69 10.01 6.36 -2.94 8.50 7.82 coo 30.76 21.17 55.02 29.25 22.88 56.57 -8.04 28.46 2.86 -10.26 29.82 3.98 coo 25.62 21.96 51.22 24.55 22.11 56.49 -8.91 27.48 -2.00 -11.17 32.01 -1.90 1e3w_o01 source 1E3W SHORT CHAIN 3-HYDROXYACYL-COA DEHYDROGENASE : 2 hits 1e3w_o01 naa= 4 ULMN 4 1e3w_o02 SHORT CHAIN 3-HYDROXYACYL-COA DEHYDRuser 1 4 # 1 C 41 ASP A 210 ASP^? 16.17 O3 SO4 A 243 C 64 ASN A 186 ASN^? 21.74 O3 SO4 A 243 C 168 TYR A 197 TYR~? 17.30 O1 SO4 A 243 C 172 LYS A 196 LYS~? 24.16 O1 SO4 A 243 coo 40.69 50.52 19.33 41.33 50.42 21.37 15.65 9.10 1.05 17.66 9.20 0.39 coo 34.72 56.95 21.18 34.76 56.91 23.30 9.75 12.61 -1.00 11.18 14.16 -0.53 coo 35.94 47.42 36.81 37.06 45.66 35.01 9.27 -5.67 -7.32 11.22 -6.86 -8.96 coo 30.46 44.57 34.70 34.50 45.03 31.11 5.42 -4.88 -10.39 6.31 -8.43 -13.80 ULMN 4 1e3w_o02 SHORT CHAIN 3-HYDROXYACYL-COA DEHYDRuser 2 4 # 2 C 41 ASP B 210 ASP^? 16.02 O1 SO4 B 243 C 64 ASN B 186 ASN^? 21.89 O1 SO4 B 243 C 168 TYR B 197 TYR~? 17.25 O3 SO4 B 243 C 172 LYS B 196 LYS~? 22.85 O3 SO4 B 243 coo 40.69 50.52 19.33 41.33 50.42 21.37 -3.61 13.59 12.62 -5.22 13.58 13.96 coo 34.72 56.95 21.18 34.76 56.91 23.30 -2.69 10.01 6.36 -2.94 8.50 7.82 coo 35.94 47.42 36.81 37.06 45.66 35.01 -8.04 28.46 2.86 -10.26 29.82 3.98 coo 30.46 44.57 34.70 34.50 45.03 31.11 -8.91 27.48 -2.00 -11.17 32.01 -1.90 1e3w_o02 source 1E3W SHORT CHAIN 3-HYDROXYACYL-COA DEHYDROGENASE : 2 hits 1e3w_o02 naa= 4 ULMN 4 1e3w_o03 SHORT CHAIN 3-HYDROXYACYL-COA DEHYDRuser 1 4 # 1 D 41 ASP A 210 ASP^? 16.17 O3 SO4 A 243 D 64 ASN A 186 ASN^? 21.74 O3 SO4 A 243 D 168 TYR A 197 TYR~? 17.30 O1 SO4 A 243 D 172 LYS A 196 LYS~? 24.16 O1 SO4 A 243 coo 9.77 60.85 45.83 9.14 59.48 44.33 15.65 9.10 1.05 17.66 9.20 0.39 coo 15.92 64.33 40.44 15.87 63.01 38.79 9.75 12.61 -1.00 11.18 14.16 -0.53 coo 14.20 46.99 34.69 13.14 46.88 37.21 9.27 -5.67 -7.32 11.22 -6.86 -8.96 coo 19.65 46.02 38.25 15.67 48.80 40.68 5.42 -4.88 -10.39 6.31 -8.43 -13.80 ULMN 4 1e3w_o03 SHORT CHAIN 3-HYDROXYACYL-COA DEHYDRuser 2 4 # 2 D 41 ASP B 210 ASP^? 16.02 O1 SO4 B 243 D 64 ASN B 186 ASN^? 21.89 O1 SO4 B 243 D 168 TYR B 197 TYR~? 17.25 O3 SO4 B 243 D 172 LYS B 196 LYS~? 22.85 O3 SO4 B 243 coo 9.77 60.85 45.83 9.14 59.48 44.33 -3.61 13.59 12.62 -5.22 13.58 13.96 coo 15.92 64.33 40.44 15.87 63.01 38.79 -2.69 10.01 6.36 -2.94 8.50 7.82 coo 14.20 46.99 34.69 13.14 46.88 37.21 -8.04 28.46 2.86 -10.26 29.82 3.98 coo 19.65 46.02 38.25 15.67 48.80 40.68 -8.91 27.48 -2.00 -11.17 32.01 -1.90 1e3w_o03 source 1E3W SHORT CHAIN 3-HYDROXYACYL-COA DEHYDROGENASE : 2 hits 1e3w_o03 naa= 4 ULMN 3 1hq0_o00 CYTOTOXIC NECROTIZING FACTOR 1 user 1 3 # 1 A 833 VAL A 127 VAL^? 16.65 O1 SO4 A 243 A 866 CYH A 223 CYH^? 13.89 O3 SO4 A 243 A 881 HIS A 147 HIS^? 14.45 O3 SO4 A 243 coo 14.42 17.43 18.29 12.57 16.27 18.27 28.21 -1.43 -4.11 27.34 0.59 -4.37 coo 12.88 23.75 28.18 13.64 25.11 25.83 21.69 3.75 2.44 22.79 4.57 -0.06 coo 12.85 19.92 23.16 14.49 20.89 24.04 22.73 1.14 -3.20 21.31 1.29 -4.76 ULMN 3 1hq0_o00 CYTOTOXIC NECROTIZING FACTOR 1 user 2 3 # 2 A 833 VAL A 128 VAL^? 13.18 O1 SO4 A 243 A 866 CYH A 223 CYH^? 13.89 O3 SO4 A 243 A 881 HIS A 147 HIS^? 14.45 O3 SO4 A 243 coo 14.42 17.43 18.29 12.57 16.27 18.27 25.91 -4.32 -3.37 26.16 -6.15 -2.24 coo 12.88 23.75 28.18 13.64 25.11 25.83 21.69 3.75 2.44 22.79 4.57 -0.06 coo 12.85 19.92 23.16 14.49 20.89 24.04 22.73 1.14 -3.20 21.31 1.29 -4.76 ULMN 3 1hq0_o00 CYTOTOXIC NECROTIZING FACTOR 1 user 3 3 # 3 A 833 VAL B 127 VAL^? 16.61 O1 SO4 B 243 A 866 CYH B 223 CYH^? 13.65 O1 SO4 B 243 A 881 HIS B 147 HIS^? 14.18 O1 SO4 B 243 coo 14.42 17.43 18.29 12.57 16.27 18.27 -14.26 24.07 21.13 -13.98 22.07 20.25 coo 12.88 23.75 28.18 13.64 25.11 25.83 -5.44 18.90 18.45 -8.10 18.07 18.26 coo 12.85 19.92 23.16 14.49 20.89 24.04 -10.85 21.55 16.70 -11.51 21.37 14.71 ULMN 3 1hq0_o00 CYTOTOXIC NECROTIZING FACTOR 1 user 4 3 # 4 A 833 VAL B 128 VAL^? 13.17 O3 SO4 B 243 A 866 CYH B 223 CYH^? 13.65 O1 SO4 B 243 A 881 HIS B 147 HIS^? 14.18 O1 SO4 B 243 coo 14.42 17.43 18.29 12.57 16.27 18.27 -12.47 26.93 19.42 -11.56 28.77 20.18 coo 12.88 23.75 28.18 13.64 25.11 25.83 -5.44 18.90 18.45 -8.10 18.07 18.26 coo 12.85 19.92 23.16 14.49 20.89 24.04 -10.85 21.55 16.70 -11.51 21.37 14.71 1hq0_o00 source 1Hq0 CYTOTOXIC NECROTIZING FACTOR 1 : 4 hits 1hq0_o00 naa= 3 ULMN 3 2odj_o00 PORIN D user 1 3 # 1 A 156 HIS A 229 HIS^? 22.39 O3 SO4 A 243 A 208 ASP A 137 ASP.? 20.28 O2 SO4 A 243 A 296 SER A 105 SER^? 14.75 O1 SO4 A 243 coo 12.72 17.48 24.71 12.80 19.37 23.81 -0.05 2.05 -3.08 -1.62 2.78 -4.27 coo 18.47 29.19 29.68 19.30 29.17 27.75 -1.53 -10.78 4.66 -2.79 -9.50 3.60 coo 6.89 17.22 46.63 5.08 16.21 47.91 17.97 -9.58 -6.03 17.57 -7.57 -7.37 ULMN 3 2odj_o00 PORIN D user 2 3 # 2 A 156 HIS B 229 HIS^? 22.78 O1 SO4 B 243 A 208 ASP B 137 ASP.? 20.11 O4 SO4 B 243 A 296 SER B 105 SER^? 14.66 O3 SO4 B 243 coo 12.72 17.48 24.71 12.80 19.37 23.81 0.17 20.57 -3.28 -0.12 19.82 -5.21 coo 18.47 29.19 29.68 19.30 29.17 27.75 7.58 33.13 -0.50 7.13 32.43 -2.48 coo 6.89 17.22 46.63 5.08 16.21 47.91 -11.13 32.24 11.11 -11.87 30.19 10.06 2odj_o00 source 2ODJ PORIN D : 2 hits 2odj_o00 naa= 3 ULMN 3 2odj_o01 PORIN D user 1 3 # 1 B 156 HIS A 229 HIS^? 22.39 O3 SO4 A 243 B 208 ASP A 137 ASP.? 20.28 O2 SO4 A 243 B 296 SER A 105 SER^? 14.75 O1 SO4 A 243 coo -2.35 -7.60 76.02 -1.45 -9.49 76.24 -0.05 2.05 -3.08 -1.62 2.78 -4.27 coo -7.90 -19.74 71.88 -5.88 -19.94 71.25 -1.53 -10.78 4.66 -2.79 -9.50 3.60 coo -24.72 -6.64 81.21 -24.66 -4.26 81.67 17.97 -9.58 -6.03 17.57 -7.57 -7.37 ULMN 3 2odj_o01 PORIN D user 2 3 # 2 B 156 HIS B 229 HIS^? 22.78 O1 SO4 B 243 B 208 ASP B 137 ASP.? 20.11 O4 SO4 B 243 B 296 SER B 105 SER^? 14.66 O3 SO4 B 243 coo -2.35 -7.60 76.02 -1.45 -9.49 76.24 0.17 20.57 -3.28 -0.12 19.82 -5.21 coo -7.90 -19.74 71.88 -5.88 -19.94 71.25 7.58 33.13 -0.50 7.13 32.43 -2.48 coo -24.72 -6.64 81.21 -24.66 -4.26 81.67 -11.13 32.24 11.11 -11.87 30.19 10.06 2odj_o01 source 2ODJ PORIN D : 2 hits 2odj_o01 naa= 3 ULMN 3 2qs9_o00 RETINOBLASTOMA-BINDING PROTEIN 9 user 1 3 # 1 A 75 SER A 105 SER^? 14.75 O1 SO4 A 243 A 138 ASP A 157 ASP~? 15.53 O1 SO4 A 243 A 165 HIS A 106 HIS^? 13.08 O1 SO4 A 243 coo -3.36 14.75 15.05 -1.15 14.48 16.07 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo -1.70 6.81 20.56 -1.10 8.43 19.35 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo 0.22 9.72 16.41 -0.34 11.71 16.80 22.50 -10.50 -3.88 23.13 -12.51 -3.91 ULMN 3 2qs9_o00 RETINOBLASTOMA-BINDING PROTEIN 9 user 2 3 # 2 A 75 SER B 105 SER^? 14.66 O3 SO4 B 243 A 138 ASP B 157 ASP~? 15.61 O3 SO4 B 243 A 165 HIS B 106 HIS^? 13.01 O3 SO4 B 243 coo -3.36 14.75 15.05 -1.15 14.48 16.07 -11.13 32.24 11.11 -11.87 30.19 10.06 coo -1.70 6.81 20.56 -1.10 8.43 19.35 -12.32 32.41 21.01 -13.75 33.02 22.44 coo 0.22 9.72 16.41 -0.34 11.71 16.80 -11.40 33.04 16.07 -11.74 35.05 16.56 2qs9_o00 source 2QS9 RETINOBLASTOMA-BINDING PROTEIN 9 : 2 hits 2qs9_o00 naa= 3 ULMN 3 2qs9_o01 RETINOBLASTOMA-BINDING PROTEIN 9 user 1 3 # 1 B 75 SER A 105 SER^? 14.75 O1 SO4 A 243 B 138 ASP A 157 ASP~? 15.53 O1 SO4 A 243 B 165 HIS A 106 HIS^? 13.08 O1 SO4 A 243 coo 6.59 48.30 3.28 6.43 48.98 5.63 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo 13.13 55.06 6.15 11.38 53.90 6.43 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo 7.83 53.78 5.96 7.73 51.68 6.00 22.50 -10.50 -3.88 23.13 -12.51 -3.91 ULMN 3 2qs9_o01 RETINOBLASTOMA-BINDING PROTEIN 9 user 2 3 # 2 B 75 SER B 105 SER^? 14.66 O3 SO4 B 243 B 138 ASP B 157 ASP~? 15.61 O3 SO4 B 243 B 165 HIS B 106 HIS^? 13.01 O3 SO4 B 243 coo 6.59 48.30 3.28 6.43 48.98 5.63 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 13.13 55.06 6.15 11.38 53.90 6.43 -12.32 32.41 21.01 -13.75 33.02 22.44 coo 7.83 53.78 5.96 7.73 51.68 6.00 -11.40 33.04 16.07 -11.74 35.05 16.56 2qs9_o01 source 2QS9 RETINOBLASTOMA-BINDING PROTEIN 9 : 2 hits 2qs9_o01 naa= 3 ULMN 3 2r11_o00 CARBOXYLESTERASE NP user 1 3 # 1 A 130 SER A 165 SER~? -3.54 O4 SO4 A 243s A 166 PHE A 159 PHE~? 12.70 O1 SO4 A 243 A 182 PHE A 153 PHE.? 12.36 O4 SO4 A 243 coo -46.28 37.24 81.97 -44.96 39.32 82.40 19.07 -9.91 9.21 19.35 -8.74 11.27 coo -36.62 39.62 84.60 -38.76 41.24 85.25 27.57 -12.73 4.97 30.30 -13.19 5.58 coo -36.55 45.66 79.22 -38.34 43.94 80.53 30.19 -3.32 5.04 29.59 -1.30 6.90 ULMN 3 2r11_o00 CARBOXYLESTERASE NP user 2 3 # 2 A 130 SER B 165 SER~? -3.42 O2 SO4 B 243s A 166 PHE B 159 PHE~? 12.51 O3 SO4 B 243 A 182 PHE B 153 PHE.? 12.55 O2 SO4 B 243 coo -46.28 37.24 81.97 -44.96 39.32 82.40 1.56 32.88 19.47 3.32 31.88 20.79 coo -36.62 39.62 84.60 -38.76 41.24 85.25 -6.17 35.50 24.73 -6.58 35.92 27.48 coo -36.55 45.66 79.22 -38.34 43.94 80.53 -7.24 26.05 27.13 -5.40 23.96 27.37 ULMN 3 2r11_o00 CARBOXYLESTERASE NP user 3 3 # 3 A 130 SER B 239 SER.? 13.78 O3 SO4 A 243 A 166 PHE A 89 PHE.? 14.88 O3 SO4 A 243 A 182 PHE A 226 PHE^? 7.87 O3 SO4 A 243 coo -46.28 37.24 81.97 -44.96 39.32 82.40 16.84 9.01 14.32 16.23 6.75 15.02 coo -36.62 39.62 84.60 -38.76 41.24 85.25 8.85 7.70 10.35 8.86 7.27 7.61 coo -36.55 45.66 79.22 -38.34 43.94 80.53 12.67 1.65 3.42 14.69 0.67 5.10 ULMN 3 2r11_o00 CARBOXYLESTERASE NP user 4 3 # 4 A 130 SER B 239 SER.? 13.78 O3 SO4 A 243 A 166 PHE A 89 PHE.? 14.88 O3 SO4 A 243 A 182 PHE B 235 PHE^? 17.00 O1 SO4 B 243 coo -46.28 37.24 81.97 -44.96 39.32 82.40 16.84 9.01 14.32 16.23 6.75 15.02 coo -36.62 39.62 84.60 -38.76 41.24 85.25 8.85 7.70 10.35 8.86 7.27 7.61 coo -36.55 45.66 79.22 -38.34 43.94 80.53 7.49 15.52 6.10 4.98 16.64 5.60 ULMN 3 2r11_o00 CARBOXYLESTERASE NP user 5 3 # 5 A 130 SER B 239 SER.? 13.78 O3 SO4 A 243 A 166 PHE B 89 PHE^? 15.75 O1 SO4 B 243 A 182 PHE A 235 PHE^? 16.73 O3 SO4 A 243 coo -46.28 37.24 81.97 -44.96 39.32 82.40 16.84 9.01 14.32 16.23 6.75 15.02 coo -36.62 39.62 84.60 -38.76 41.24 85.25 7.89 14.60 10.79 5.59 15.06 9.27 coo -36.55 45.66 79.22 -38.34 43.94 80.53 4.70 7.24 7.80 5.45 6.36 5.30 2r11_o00 source 2R11 CARBOXYLESTERASE NP : 5 hits 2r11_o00 naa= 3 ULMN 3 2r11_o01 CARBOXYLESTERASE NP user 1 3 # 1 B 130 SER A 165 SER~? -3.54 O4 SO4 A 243s B 166 PHE A 159 PHE~? 12.70 O1 SO4 A 243 B 182 PHE A 153 PHE.? 12.36 O4 SO4 A 243 coo -19.94 46.29 97.83 -22.38 46.56 97.60 19.07 -9.91 9.21 19.35 -8.74 11.27 coo -29.59 43.40 95.66 -28.22 45.54 94.50 27.57 -12.73 4.97 30.30 -13.19 5.58 coo -32.72 50.15 98.46 -30.32 48.85 97.77 30.19 -3.32 5.04 29.59 -1.30 6.90 ULMN 3 2r11_o01 CARBOXYLESTERASE NP user 2 3 # 2 B 130 SER B 165 SER~? -3.42 O2 SO4 B 243s B 166 PHE B 159 PHE~? 12.51 O3 SO4 B 243 B 182 PHE B 153 PHE.? 12.55 O2 SO4 B 243 coo -19.94 46.29 97.83 -22.38 46.56 97.60 1.56 32.88 19.47 3.32 31.88 20.79 coo -29.59 43.40 95.66 -28.22 45.54 94.50 -6.17 35.50 24.73 -6.58 35.92 27.48 coo -32.72 50.15 98.46 -30.32 48.85 97.77 -7.24 26.05 27.13 -5.40 23.96 27.37 ULMN 3 2r11_o01 CARBOXYLESTERASE NP user 3 3 # 3 B 130 SER B 239 SER.? 13.78 O3 SO4 A 243 B 166 PHE A 89 PHE.? 14.88 O3 SO4 A 243 B 182 PHE A 226 PHE^? 7.87 O3 SO4 A 243 coo -19.94 46.29 97.83 -22.38 46.56 97.60 16.84 9.01 14.32 16.23 6.75 15.02 coo -29.59 43.40 95.66 -28.22 45.54 94.50 8.85 7.70 10.35 8.86 7.27 7.61 coo -32.72 50.15 98.46 -30.32 48.85 97.77 12.67 1.65 3.42 14.69 0.67 5.10 ULMN 3 2r11_o01 CARBOXYLESTERASE NP user 4 3 # 4 B 130 SER B 239 SER.? 13.78 O3 SO4 A 243 B 166 PHE A 89 PHE.? 14.88 O3 SO4 A 243 B 182 PHE B 235 PHE^? 17.00 O1 SO4 B 243 coo -19.94 46.29 97.83 -22.38 46.56 97.60 16.84 9.01 14.32 16.23 6.75 15.02 coo -29.59 43.40 95.66 -28.22 45.54 94.50 8.85 7.70 10.35 8.86 7.27 7.61 coo -32.72 50.15 98.46 -30.32 48.85 97.77 7.49 15.52 6.10 4.98 16.64 5.60 ULMN 3 2r11_o01 CARBOXYLESTERASE NP user 5 3 # 5 B 130 SER B 239 SER.? 13.78 O3 SO4 A 243 B 166 PHE B 89 PHE^? 15.75 O1 SO4 B 243 B 182 PHE A 235 PHE^? 16.73 O3 SO4 A 243 coo -19.94 46.29 97.83 -22.38 46.56 97.60 16.84 9.01 14.32 16.23 6.75 15.02 coo -29.59 43.40 95.66 -28.22 45.54 94.50 7.89 14.60 10.79 5.59 15.06 9.27 coo -32.72 50.15 98.46 -30.32 48.85 97.77 4.70 7.24 7.80 5.45 6.36 5.30 2r11_o01 source 2R11 CARBOXYLESTERASE NP : 5 hits 2r11_o01 naa= 3 ULMN 3 2r11_o02 CARBOXYLESTERASE NP user 1 3 # 1 C 130 SER A 165 SER~? -3.54 O4 SO4 A 243s C 166 PHE A 159 PHE~? 12.70 O1 SO4 A 243 C 182 PHE A 153 PHE.? 12.36 O4 SO4 A 243 coo -2.19 64.27 51.12 -3.34 62.10 50.60 19.07 -9.91 9.21 19.35 -8.74 11.27 coo -11.14 61.91 46.89 -9.88 60.30 48.76 27.57 -12.73 4.97 30.30 -13.19 5.58 coo -7.71 55.92 42.70 -7.18 57.60 44.85 30.19 -3.32 5.04 29.59 -1.30 6.90 ULMN 3 2r11_o02 CARBOXYLESTERASE NP user 2 3 # 2 C 130 SER B 165 SER~? -3.42 O2 SO4 B 243s C 166 PHE B 159 PHE~? 12.51 O3 SO4 B 243 C 182 PHE B 153 PHE.? 12.55 O2 SO4 B 243 coo -2.19 64.27 51.12 -3.34 62.10 50.60 1.56 32.88 19.47 3.32 31.88 20.79 coo -11.14 61.91 46.89 -9.88 60.30 48.76 -6.17 35.50 24.73 -6.58 35.92 27.48 coo -7.71 55.92 42.70 -7.18 57.60 44.85 -7.24 26.05 27.13 -5.40 23.96 27.37 ULMN 3 2r11_o02 CARBOXYLESTERASE NP user 3 3 # 3 C 130 SER B 239 SER.? 13.78 O3 SO4 A 243 C 166 PHE A 89 PHE.? 14.88 O3 SO4 A 243 C 182 PHE A 226 PHE^? 7.87 O3 SO4 A 243 coo -2.19 64.27 51.12 -3.34 62.10 50.60 16.84 9.01 14.32 16.23 6.75 15.02 coo -11.14 61.91 46.89 -9.88 60.30 48.76 8.85 7.70 10.35 8.86 7.27 7.61 coo -7.71 55.92 42.70 -7.18 57.60 44.85 12.67 1.65 3.42 14.69 0.67 5.10 ULMN 3 2r11_o02 CARBOXYLESTERASE NP user 4 3 # 4 C 130 SER B 239 SER.? 13.78 O3 SO4 A 243 C 166 PHE A 89 PHE.? 14.88 O3 SO4 A 243 C 182 PHE B 89 PHE^? 15.75 O1 SO4 B 243 coo -2.19 64.27 51.12 -3.34 62.10 50.60 16.84 9.01 14.32 16.23 6.75 15.02 coo -11.14 61.91 46.89 -9.88 60.30 48.76 8.85 7.70 10.35 8.86 7.27 7.61 coo -7.71 55.92 42.70 -7.18 57.60 44.85 7.89 14.60 10.79 5.59 15.06 9.27 ULMN 3 2r11_o02 CARBOXYLESTERASE NP user 5 3 # 5 C 130 SER B 239 SER.? 13.78 O3 SO4 A 243 C 166 PHE A 89 PHE.? 14.88 O3 SO4 A 243 C 182 PHE B 235 PHE^? 17.00 O1 SO4 B 243 coo -2.19 64.27 51.12 -3.34 62.10 50.60 16.84 9.01 14.32 16.23 6.75 15.02 coo -11.14 61.91 46.89 -9.88 60.30 48.76 8.85 7.70 10.35 8.86 7.27 7.61 coo -7.71 55.92 42.70 -7.18 57.60 44.85 7.49 15.52 6.10 4.98 16.64 5.60 ULMN 3 2r11_o02 CARBOXYLESTERASE NP user 6 3 # 6 C 130 SER B 239 SER.? 13.78 O3 SO4 A 243 C 166 PHE B 89 PHE^? 15.75 O1 SO4 B 243 C 182 PHE A 235 PHE^? 16.73 O3 SO4 A 243 coo -2.19 64.27 51.12 -3.34 62.10 50.60 16.84 9.01 14.32 16.23 6.75 15.02 coo -11.14 61.91 46.89 -9.88 60.30 48.76 7.89 14.60 10.79 5.59 15.06 9.27 coo -7.71 55.92 42.70 -7.18 57.60 44.85 4.70 7.24 7.80 5.45 6.36 5.30 2r11_o02 source 2R11 CARBOXYLESTERASE NP : 6 hits 2r11_o02 naa= 3 ULMN 3 2r11_o03 CARBOXYLESTERASE NP user 1 3 # 1 D 130 SER A 165 SER~? -3.54 O4 SO4 A 243s D 166 PHE A 159 PHE~? 12.70 O1 SO4 A 243 D 182 PHE A 153 PHE.? 12.36 O4 SO4 A 243 coo -32.42 55.27 46.18 -30.51 54.94 47.67 19.07 -9.91 9.21 19.35 -8.74 11.27 coo -23.62 58.20 50.84 -23.76 56.14 48.96 27.57 -12.73 4.97 30.30 -13.19 5.58 coo -23.08 51.44 54.96 -24.43 52.71 52.88 30.19 -3.32 5.04 29.59 -1.30 6.90 ULMN 3 2r11_o03 CARBOXYLESTERASE NP user 2 3 # 2 D 130 SER B 165 SER~? -3.42 O2 SO4 B 243s D 166 PHE B 159 PHE~? 12.51 O3 SO4 B 243 D 182 PHE B 153 PHE.? 12.55 O2 SO4 B 243 coo -32.42 55.27 46.18 -30.51 54.94 47.67 1.56 32.88 19.47 3.32 31.88 20.79 coo -23.62 58.20 50.84 -23.76 56.14 48.96 -6.17 35.50 24.73 -6.58 35.92 27.48 coo -23.08 51.44 54.96 -24.43 52.71 52.88 -7.24 26.05 27.13 -5.40 23.96 27.37 ULMN 3 2r11_o03 CARBOXYLESTERASE NP user 3 3 # 3 D 130 SER B 239 SER.? 13.78 O3 SO4 A 243 D 166 PHE A 89 PHE.? 14.88 O3 SO4 A 243 D 182 PHE B 235 PHE^? 17.00 O1 SO4 B 243 coo -32.42 55.27 46.18 -30.51 54.94 47.67 16.84 9.01 14.32 16.23 6.75 15.02 coo -23.62 58.20 50.84 -23.76 56.14 48.96 8.85 7.70 10.35 8.86 7.27 7.61 coo -23.08 51.44 54.96 -24.43 52.71 52.88 7.49 15.52 6.10 4.98 16.64 5.60 ULMN 3 2r11_o03 CARBOXYLESTERASE NP user 4 3 # 4 D 130 SER B 239 SER.? 13.78 O3 SO4 A 243 D 166 PHE B 89 PHE^? 15.75 O1 SO4 B 243 D 182 PHE A 235 PHE^? 16.73 O3 SO4 A 243 coo -32.42 55.27 46.18 -30.51 54.94 47.67 16.84 9.01 14.32 16.23 6.75 15.02 coo -23.62 58.20 50.84 -23.76 56.14 48.96 7.89 14.60 10.79 5.59 15.06 9.27 coo -23.08 51.44 54.96 -24.43 52.71 52.88 4.70 7.24 7.80 5.45 6.36 5.30 2r11_o03 source 2R11 CARBOXYLESTERASE NP : 4 hits 2r11_o03 naa= 3 ULMN 3 2wwt_o00 INTRACELLULAR SUBTILISIN PROTEASE user 1 3 # 1 A 49 ASP A 157 ASP~? 15.53 O1 SO4 A 243 A 86 HIS A 106 HIS^? 13.08 O1 SO4 A 243 A 250 ALA A 161 ALA.? 10.57 O1 SO4 A 243 coo 18.89 -28.09 25.11 19.05 -26.61 23.60 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo 21.50 -24.76 21.11 19.82 -23.58 21.50 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo 16.40 -19.57 19.82 17.00 -20.87 19.22 19.60 -14.81 1.67 20.12 -16.10 2.33 ULMN 3 2wwt_o00 INTRACELLULAR SUBTILISIN PROTEASE user 2 3 # 2 A 49 ASP A 218 ASP~? 20.27 O4 SO4 A 243 A 86 HIS A 180 HIS^? 16.73 O4 SO4 A 243 A 250 ALA A 213 ALA^? 10.00 O4 SO4 A 243 coo 18.89 -28.09 25.11 19.05 -26.61 23.60 29.47 11.44 11.56 27.66 12.20 10.67 coo 21.50 -24.76 21.11 19.82 -23.58 21.50 23.63 8.86 13.89 25.45 9.53 13.13 coo 16.40 -19.57 19.82 17.00 -20.87 19.22 22.60 4.81 8.44 22.43 3.32 8.50 ULMN 3 2wwt_o00 INTRACELLULAR SUBTILISIN PROTEASE user 3 3 # 3 A 49 ASP B 157 ASP~? 15.61 O3 SO4 B 243 A 86 HIS B 106 HIS^? 13.01 O3 SO4 B 243 A 250 ALA B 161 ALA.? 10.66 O3 SO4 B 243 coo 18.89 -28.09 25.11 19.05 -26.61 23.60 -12.32 32.41 21.01 -13.75 33.02 22.44 coo 21.50 -24.76 21.11 19.82 -23.58 21.50 -11.40 33.04 16.07 -11.74 35.05 16.56 coo 16.40 -19.57 19.82 17.00 -20.87 19.22 -5.41 37.41 16.11 -5.31 38.82 16.75 ULMN 3 2wwt_o00 INTRACELLULAR SUBTILISIN PROTEASE user 4 3 # 4 A 49 ASP B 218 ASP~? 20.31 O1 SO4 B 243 A 86 HIS B 180 HIS^? 17.04 O1 SO4 B 243 A 250 ALA B 213 ALA^? 9.77 O1 SO4 B 243 coo 18.89 -28.09 25.11 19.05 -26.61 23.60 -1.00 11.19 29.58 -0.84 10.48 27.56 coo 21.50 -24.76 21.11 19.82 -23.58 21.50 3.74 13.87 25.77 2.21 13.26 27.09 coo 16.40 -19.57 19.82 17.00 -20.87 19.22 -0.45 17.94 22.18 -0.36 19.49 22.01 2wwt_o00 source 2WWT INTRACELLULAR SUBTILISIN PROTEASE : 4 hits 2wwt_o00 naa= 3 ULMN 3 2wwt_o01 INTRACELLULAR SUBTILISIN PROTEASE user 1 3 # 1 B 49 ASP A 157 ASP~? 15.53 O1 SO4 A 243 B 86 HIS A 106 HIS^? 13.08 O1 SO4 A 243 B 250 ALA A 161 ALA.? 10.57 O1 SO4 A 243 coo -25.60 -8.15 41.87 -24.93 -7.05 43.55 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo -24.87 -3.97 45.59 -22.79 -4.09 45.73 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo -17.45 -4.02 46.78 -18.80 -4.41 47.26 19.60 -14.81 1.67 20.12 -16.10 2.33 ULMN 3 2wwt_o01 INTRACELLULAR SUBTILISIN PROTEASE user 2 3 # 2 B 49 ASP A 218 ASP~? 20.27 O4 SO4 A 243 B 86 HIS A 180 HIS^? 16.73 O4 SO4 A 243 B 250 ALA A 213 ALA^? 10.00 O4 SO4 A 243 coo -25.60 -8.15 41.87 -24.93 -7.05 43.55 29.47 11.44 11.56 27.66 12.20 10.67 coo -24.87 -3.97 45.59 -22.79 -4.09 45.73 23.63 8.86 13.89 25.45 9.53 13.13 coo -17.45 -4.02 46.78 -18.80 -4.41 47.26 22.60 4.81 8.44 22.43 3.32 8.50 ULMN 3 2wwt_o01 INTRACELLULAR SUBTILISIN PROTEASE user 3 3 # 3 B 49 ASP B 157 ASP~? 15.61 O3 SO4 B 243 B 86 HIS B 106 HIS^? 13.01 O3 SO4 B 243 B 250 ALA B 161 ALA.? 10.66 O3 SO4 B 243 coo -25.60 -8.15 41.87 -24.93 -7.05 43.55 -12.32 32.41 21.01 -13.75 33.02 22.44 coo -24.87 -3.97 45.59 -22.79 -4.09 45.73 -11.40 33.04 16.07 -11.74 35.05 16.56 coo -17.45 -4.02 46.78 -18.80 -4.41 47.26 -5.41 37.41 16.11 -5.31 38.82 16.75 ULMN 3 2wwt_o01 INTRACELLULAR SUBTILISIN PROTEASE user 4 3 # 4 B 49 ASP B 218 ASP~? 20.31 O1 SO4 B 243 B 86 HIS B 180 HIS^? 17.04 O1 SO4 B 243 B 250 ALA B 213 ALA^? 9.77 O1 SO4 B 243 coo -25.60 -8.15 41.87 -24.93 -7.05 43.55 -1.00 11.19 29.58 -0.84 10.48 27.56 coo -24.87 -3.97 45.59 -22.79 -4.09 45.73 3.74 13.87 25.77 2.21 13.26 27.09 coo -17.45 -4.02 46.78 -18.80 -4.41 47.26 -0.45 17.94 22.18 -0.36 19.49 22.01 2wwt_o01 source 2WWT INTRACELLULAR SUBTILISIN PROTEASE : 4 hits 2wwt_o01 naa= 3 ULMN 3 2wwt_o02 INTRACELLULAR SUBTILISIN PROTEASE user 1 3 # 1 C 49 ASP A 157 ASP~? 15.53 O1 SO4 A 243 C 86 HIS A 106 HIS^? 13.08 O1 SO4 A 243 C 250 ALA A 161 ALA.? 10.57 O1 SO4 A 243 coo 52.29 -8.84 6.54 53.45 -9.52 8.16 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo 56.78 -9.42 10.42 56.27 -11.41 10.02 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo 56.74 -16.59 11.78 56.33 -15.18 12.23 19.60 -14.81 1.67 20.12 -16.10 2.33 ULMN 3 2wwt_o02 INTRACELLULAR SUBTILISIN PROTEASE user 2 3 # 2 C 49 ASP A 218 ASP~? 20.27 O4 SO4 A 243 C 86 HIS A 180 HIS^? 16.73 O4 SO4 A 243 C 250 ALA A 213 ALA^? 10.00 O4 SO4 A 243 coo 52.29 -8.84 6.54 53.45 -9.52 8.16 29.47 11.44 11.56 27.66 12.20 10.67 coo 56.78 -9.42 10.42 56.27 -11.41 10.02 23.63 8.86 13.89 25.45 9.53 13.13 coo 56.74 -16.59 11.78 56.33 -15.18 12.23 22.60 4.81 8.44 22.43 3.32 8.50 ULMN 3 2wwt_o02 INTRACELLULAR SUBTILISIN PROTEASE user 3 3 # 3 C 49 ASP B 157 ASP~? 15.61 O3 SO4 B 243 C 86 HIS B 106 HIS^? 13.01 O3 SO4 B 243 C 250 ALA B 161 ALA.? 10.66 O3 SO4 B 243 coo 52.29 -8.84 6.54 53.45 -9.52 8.16 -12.32 32.41 21.01 -13.75 33.02 22.44 coo 56.78 -9.42 10.42 56.27 -11.41 10.02 -11.40 33.04 16.07 -11.74 35.05 16.56 coo 56.74 -16.59 11.78 56.33 -15.18 12.23 -5.41 37.41 16.11 -5.31 38.82 16.75 ULMN 3 2wwt_o02 INTRACELLULAR SUBTILISIN PROTEASE user 4 3 # 4 C 49 ASP B 218 ASP~? 20.31 O1 SO4 B 243 C 86 HIS B 180 HIS^? 17.04 O1 SO4 B 243 C 250 ALA B 213 ALA^? 9.77 O1 SO4 B 243 coo 52.29 -8.84 6.54 53.45 -9.52 8.16 -1.00 11.19 29.58 -0.84 10.48 27.56 coo 56.78 -9.42 10.42 56.27 -11.41 10.02 3.74 13.87 25.77 2.21 13.26 27.09 coo 56.74 -16.59 11.78 56.33 -15.18 12.23 -0.45 17.94 22.18 -0.36 19.49 22.01 2wwt_o02 source 2WWT INTRACELLULAR SUBTILISIN PROTEASE : 4 hits 2wwt_o02 naa= 3 ULMN 3 2wwt_o03 INTRACELLULAR SUBTILISIN PROTEASE user 1 3 # 1 D 49 ASP A 157 ASP~? 15.53 O1 SO4 A 243 D 86 HIS A 106 HIS^? 13.08 O1 SO4 A 243 D 250 ALA A 161 ALA.? 10.57 O1 SO4 A 243 coo 33.58 -54.23 -8.77 34.81 -54.76 -10.41 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo 36.78 -56.86 -12.59 37.95 -55.16 -12.26 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo 41.85 -51.50 -13.98 40.55 -52.02 -14.52 19.60 -14.81 1.67 20.12 -16.10 2.33 ULMN 3 2wwt_o03 INTRACELLULAR SUBTILISIN PROTEASE user 2 3 # 2 D 49 ASP A 218 ASP~? 20.27 O4 SO4 A 243 D 86 HIS A 180 HIS^? 16.73 O4 SO4 A 243 D 250 ALA A 213 ALA^? 10.00 O4 SO4 A 243 coo 33.58 -54.23 -8.77 34.81 -54.76 -10.41 29.47 11.44 11.56 27.66 12.20 10.67 coo 36.78 -56.86 -12.59 37.95 -55.16 -12.26 23.63 8.86 13.89 25.45 9.53 13.13 coo 41.85 -51.50 -13.98 40.55 -52.02 -14.52 22.60 4.81 8.44 22.43 3.32 8.50 ULMN 3 2wwt_o03 INTRACELLULAR SUBTILISIN PROTEASE user 3 3 # 3 D 49 ASP B 157 ASP~? 15.61 O3 SO4 B 243 D 86 HIS B 106 HIS^? 13.01 O3 SO4 B 243 D 250 ALA B 161 ALA.? 10.66 O3 SO4 B 243 coo 33.58 -54.23 -8.77 34.81 -54.76 -10.41 -12.32 32.41 21.01 -13.75 33.02 22.44 coo 36.78 -56.86 -12.59 37.95 -55.16 -12.26 -11.40 33.04 16.07 -11.74 35.05 16.56 coo 41.85 -51.50 -13.98 40.55 -52.02 -14.52 -5.41 37.41 16.11 -5.31 38.82 16.75 ULMN 3 2wwt_o03 INTRACELLULAR SUBTILISIN PROTEASE user 4 3 # 4 D 49 ASP B 218 ASP~? 20.31 O1 SO4 B 243 D 86 HIS B 180 HIS^? 17.04 O1 SO4 B 243 D 250 ALA B 213 ALA^? 9.77 O1 SO4 B 243 coo 33.58 -54.23 -8.77 34.81 -54.76 -10.41 -1.00 11.19 29.58 -0.84 10.48 27.56 coo 36.78 -56.86 -12.59 37.95 -55.16 -12.26 3.74 13.87 25.77 2.21 13.26 27.09 coo 41.85 -51.50 -13.98 40.55 -52.02 -14.52 -0.45 17.94 22.18 -0.36 19.49 22.01 2wwt_o03 source 2WWT INTRACELLULAR SUBTILISIN PROTEASE : 4 hits 2wwt_o03 naa= 3 ULMN 3 2wwt_o04 INTRACELLULAR SUBTILISIN PROTEASE user 1 3 # 1 E 49 ASP A 157 ASP~? 15.53 O1 SO4 A 243 E 86 HIS A 106 HIS^? 13.08 O1 SO4 A 243 E 250 ALA A 161 ALA.? 10.57 O1 SO4 A 243 coo -36.18 24.97 18.78 -36.93 26.11 17.11 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo -36.85 29.32 15.06 -38.90 29.14 15.48 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo -44.49 29.68 13.98 -43.47 28.67 13.52 19.60 -14.81 1.67 20.12 -16.10 2.33 ULMN 3 2wwt_o04 INTRACELLULAR SUBTILISIN PROTEASE user 2 3 # 2 E 49 ASP A 218 ASP~? 20.27 O4 SO4 A 243 E 86 HIS A 180 HIS^? 16.73 O4 SO4 A 243 E 250 ALA A 213 ALA^? 10.00 O4 SO4 A 243 coo -36.18 24.97 18.78 -36.93 26.11 17.11 29.47 11.44 11.56 27.66 12.20 10.67 coo -36.85 29.32 15.06 -38.90 29.14 15.48 23.63 8.86 13.89 25.45 9.53 13.13 coo -44.49 29.68 13.98 -43.47 28.67 13.52 22.60 4.81 8.44 22.43 3.32 8.50 ULMN 3 2wwt_o04 INTRACELLULAR SUBTILISIN PROTEASE user 3 3 # 3 E 49 ASP B 157 ASP~? 15.61 O3 SO4 B 243 E 86 HIS B 106 HIS^? 13.01 O3 SO4 B 243 E 250 ALA B 161 ALA.? 10.66 O3 SO4 B 243 coo -36.18 24.97 18.78 -36.93 26.11 17.11 -12.32 32.41 21.01 -13.75 33.02 22.44 coo -36.85 29.32 15.06 -38.90 29.14 15.48 -11.40 33.04 16.07 -11.74 35.05 16.56 coo -44.49 29.68 13.98 -43.47 28.67 13.52 -5.41 37.41 16.11 -5.31 38.82 16.75 ULMN 3 2wwt_o04 INTRACELLULAR SUBTILISIN PROTEASE user 4 3 # 4 E 49 ASP B 218 ASP~? 20.31 O1 SO4 B 243 E 86 HIS B 180 HIS^? 17.04 O1 SO4 B 243 E 250 ALA B 213 ALA^? 9.77 O1 SO4 B 243 coo -36.18 24.97 18.78 -36.93 26.11 17.11 -1.00 11.19 29.58 -0.84 10.48 27.56 coo -36.85 29.32 15.06 -38.90 29.14 15.48 3.74 13.87 25.77 2.21 13.26 27.09 coo -44.49 29.68 13.98 -43.47 28.67 13.52 -0.45 17.94 22.18 -0.36 19.49 22.01 2wwt_o04 source 2WWT INTRACELLULAR SUBTILISIN PROTEASE : 4 hits 2wwt_o04 naa= 3 ULMN 3 2wwt_o05 INTRACELLULAR SUBTILISIN PROTEASE user 1 3 # 1 F 49 ASP A 157 ASP~? 15.53 O1 SO4 A 243 F 86 HIS A 106 HIS^? 13.08 O1 SO4 A 243 F 250 ALA A 161 ALA.? 10.57 O1 SO4 A 243 coo -82.12 8.55 35.60 -81.93 9.84 37.19 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo -84.21 11.81 39.90 -82.43 12.70 39.26 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo -78.49 17.13 41.31 -79.25 15.85 41.61 19.60 -14.81 1.67 20.12 -16.10 2.33 ULMN 3 2wwt_o05 INTRACELLULAR SUBTILISIN PROTEASE user 2 3 # 2 F 49 ASP A 218 ASP~? 20.27 O4 SO4 A 243 F 86 HIS A 180 HIS^? 16.73 O4 SO4 A 243 F 250 ALA A 213 ALA^? 10.00 O4 SO4 A 243 coo -82.12 8.55 35.60 -81.93 9.84 37.19 29.47 11.44 11.56 27.66 12.20 10.67 coo -84.21 11.81 39.90 -82.43 12.70 39.26 23.63 8.86 13.89 25.45 9.53 13.13 coo -78.49 17.13 41.31 -79.25 15.85 41.61 22.60 4.81 8.44 22.43 3.32 8.50 ULMN 3 2wwt_o05 INTRACELLULAR SUBTILISIN PROTEASE user 3 3 # 3 F 49 ASP B 157 ASP~? 15.61 O3 SO4 B 243 F 86 HIS B 106 HIS^? 13.01 O3 SO4 B 243 F 250 ALA B 161 ALA.? 10.66 O3 SO4 B 243 coo -82.12 8.55 35.60 -81.93 9.84 37.19 -12.32 32.41 21.01 -13.75 33.02 22.44 coo -84.21 11.81 39.90 -82.43 12.70 39.26 -11.40 33.04 16.07 -11.74 35.05 16.56 coo -78.49 17.13 41.31 -79.25 15.85 41.61 -5.41 37.41 16.11 -5.31 38.82 16.75 ULMN 3 2wwt_o05 INTRACELLULAR SUBTILISIN PROTEASE user 4 3 # 4 F 49 ASP B 218 ASP~? 20.31 O1 SO4 B 243 F 86 HIS B 180 HIS^? 17.04 O1 SO4 B 243 F 250 ALA B 213 ALA^? 9.77 O1 SO4 B 243 coo -82.12 8.55 35.60 -81.93 9.84 37.19 -1.00 11.19 29.58 -0.84 10.48 27.56 coo -84.21 11.81 39.90 -82.43 12.70 39.26 3.74 13.87 25.77 2.21 13.26 27.09 coo -78.49 17.13 41.31 -79.25 15.85 41.61 -0.45 17.94 22.18 -0.36 19.49 22.01 2wwt_o05 source 2WWT INTRACELLULAR SUBTILISIN PROTEASE : 4 hits 2wwt_o05 naa= 3 ULMN 3 2xmz_o00 HYDROLASE, ALPHA/BETA HYDROLASE FOLDuser 1 3 # 1 A 89 SER A 105 SER^? 14.75 O1 SO4 A 243 A 216 ASP A 157 ASP~? 15.53 O1 SO4 A 243 A 243 HIS A 106 HIS^? 13.08 O1 SO4 A 243 coo 11.52 10.39 18.97 12.10 9.11 20.95 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo 20.60 4.89 19.19 18.56 4.62 19.55 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo 16.75 7.77 21.42 14.85 7.46 20.58 22.50 -10.50 -3.88 23.13 -12.51 -3.91 ULMN 3 2xmz_o00 HYDROLASE, ALPHA/BETA HYDROLASE FOLDuser 2 3 # 2 A 89 SER B 105 SER^? 14.66 O3 SO4 B 243 A 216 ASP B 157 ASP~? 15.61 O3 SO4 B 243 A 243 HIS B 106 HIS^? 13.01 O3 SO4 B 243 coo 11.52 10.39 18.97 12.10 9.11 20.95 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 20.60 4.89 19.19 18.56 4.62 19.55 -12.32 32.41 21.01 -13.75 33.02 22.44 coo 16.75 7.77 21.42 14.85 7.46 20.58 -11.40 33.04 16.07 -11.74 35.05 16.56 2xmz_o00 source 2XMZ HYDROLASE, ALPHA/BETA HYDROLASE FOLD FAMILY : 2 hits 2xmz_o00 naa= 3 ULMN 3 3a5q_o00 BENZALACETONE SYNTHASE user 1 3 # 1 A 157 CYH A 200 CYH.? 21.90 O3 SO4 A 243 A 296 HIS A 229 HIS^? 22.39 O3 SO4 A 243 A 329 ASN A 231 ASN.? 25.70 O3 SO4 A 243 coo 16.98 -49.23 69.85 18.31 -47.95 71.87 -0.03 -1.22 -8.06 2.13 0.46 -7.36 coo 20.26 -52.68 71.35 20.53 -50.68 71.92 -0.05 2.05 -3.08 -1.62 2.78 -4.27 coo 23.67 -47.94 74.72 21.77 -48.32 73.85 -4.01 3.19 -0.61 -4.89 4.35 -2.16 ULMN 3 3a5q_o00 BENZALACETONE SYNTHASE user 2 3 # 2 A 157 CYH B 200 CYH.? 22.22 O1 SO4 B 243 A 296 HIS B 229 HIS^? 22.78 O1 SO4 B 243 A 329 ASN B 231 ASN.? 26.15 O1 SO4 B 243 coo 16.98 -49.23 69.85 18.31 -47.95 71.87 -4.23 23.83 -5.59 -4.70 22.08 -3.39 coo 20.26 -52.68 71.35 20.53 -50.68 71.92 0.17 20.57 -3.28 -0.12 19.82 -5.21 coo 23.67 -47.94 74.72 21.77 -48.32 73.85 4.19 19.46 -5.53 3.38 18.27 -7.08 3a5q_o00 source 3A5Q BENZALACETONE SYNTHASE : 2 hits 3a5q_o00 naa= 3 ULMN 3 3a5q_o01 BENZALACETONE SYNTHASE user 1 3 # 1 B 157 CYH A 200 CYH.? 21.90 O3 SO4 A 243 B 296 HIS A 229 HIS^? 22.39 O3 SO4 A 243 B 329 ASN A 231 ASN.? 25.70 O3 SO4 A 243 coo 3.15 -35.06 51.03 1.91 -32.70 51.68 -0.03 -1.22 -8.06 2.13 0.46 -7.36 coo -0.06 -34.62 47.30 -0.41 -33.54 49.06 -0.05 2.05 -3.08 -1.62 2.78 -4.27 coo -3.43 -30.09 50.97 -1.54 -31.00 50.69 -4.01 3.19 -0.61 -4.89 4.35 -2.16 ULMN 3 3a5q_o01 BENZALACETONE SYNTHASE user 2 3 # 2 B 157 CYH B 200 CYH.? 22.22 O1 SO4 B 243 B 296 HIS B 229 HIS^? 22.78 O1 SO4 B 243 B 329 ASN B 231 ASN.? 26.15 O1 SO4 B 243 coo 3.15 -35.06 51.03 1.91 -32.70 51.68 -4.23 23.83 -5.59 -4.70 22.08 -3.39 coo -0.06 -34.62 47.30 -0.41 -33.54 49.06 0.17 20.57 -3.28 -0.12 19.82 -5.21 coo -3.43 -30.09 50.97 -1.54 -31.00 50.69 4.19 19.46 -5.53 3.38 18.27 -7.08 3a5q_o01 source 3A5Q BENZALACETONE SYNTHASE : 2 hits 3a5q_o01 naa= 3 ULMN 3 3efy_o00 CIF (CELL CYCLE INHIBITING FACTOR) user 1 3 # 1 A 109 CYH A 200 CYH.? 21.90 O3 SO4 A 243 A 165 HIS A 229 HIS^? 22.39 O3 SO4 A 243 A 185 GLN A 139 GLN.? 19.95 O3 SO4 A 243 coo 54.78 13.49 18.88 56.85 11.67 18.30 -0.03 -1.22 -8.06 2.13 0.46 -7.36 coo 59.92 11.41 21.99 58.45 12.51 22.99 -0.05 2.05 -3.08 -1.62 2.78 -4.27 coo 57.06 15.80 26.20 58.09 14.10 26.96 -0.79 -5.12 0.76 -2.15 -3.86 1.80 ULMN 3 3efy_o00 CIF (CELL CYCLE INHIBITING FACTOR) user 2 3 # 2 A 109 CYH B 200 CYH.? 22.22 O1 SO4 B 243 A 165 HIS B 229 HIS^? 22.78 O1 SO4 B 243 A 185 GLN B 139 GLN.? 20.21 O4 SO4 B 243 coo 54.78 13.49 18.88 56.85 11.67 18.30 -4.23 23.83 -5.59 -4.70 22.08 -3.39 coo 59.92 11.41 21.99 58.45 12.51 22.99 0.17 20.57 -3.28 -0.12 19.82 -5.21 coo 57.06 15.80 26.20 58.09 14.10 26.96 3.87 27.89 -2.04 5.30 26.56 -2.87 3efy_o00 source 3EFY CIF (CELL CYCLE INHIBITING FACTOR) : 2 hits 3efy_o00 naa= 3 ULMN 3 3eir_o00 CHBP, A CIF HOMOLOGUE FROM BURKHOLDEuser 1 3 # 1 A 156 CYH A 200 CYH.? 21.90 O3 SO4 A 243 A 211 HIS A 229 HIS^? 22.39 O3 SO4 A 243 A 231 GLN A 139 GLN.? 19.95 O3 SO4 A 243 coo 43.14 32.84 51.11 44.54 32.89 48.63 -0.03 -1.22 -8.06 2.13 0.46 -7.36 coo 48.41 30.24 48.81 47.44 29.39 50.47 -0.05 2.05 -3.08 -1.62 2.78 -4.27 coo 47.08 27.40 54.79 48.00 26.32 53.21 -0.79 -5.12 0.76 -2.15 -3.86 1.80 3eir_o00 source 3EIR CHBP, A CIF HOMOLOGUE FROM BURKHOLDERIA PSEUDO: 1 hits 3eir_o00 naa= 3 ULMN 3 3hde_o00 LYSOZYME user 1 3 # 1 A 35 GLU A 144 GLU^? 5.14 O3 SO4 A 243 A 44 ASP A 210 ASP^? 16.17 O3 SO4 A 243 A 50 THR A 212 THR^? 14.79 O3 SO4 A 243 coo 3.19 -22.62 -21.80 4.26 -21.93 -23.46 15.10 -1.99 1.69 15.82 -3.30 3.21 coo -3.28 -18.53 -28.91 -2.33 -19.01 -30.75 15.65 9.10 1.05 17.66 9.20 0.39 coo -4.91 -24.14 -27.53 -3.37 -22.71 -27.06 21.33 6.89 5.45 22.71 8.01 4.37 ULMN 3 3hde_o00 LYSOZYME user 2 3 # 2 A 35 GLU B 144 GLU^? 5.26 O1 SO4 B 243 A 44 ASP B 210 ASP^? 16.02 O1 SO4 B 243 A 50 THR B 212 THR^? 14.56 O1 SO4 B 243 coo 3.19 -22.62 -21.80 4.26 -21.93 -23.46 -2.94 24.68 12.26 -2.09 26.04 13.69 coo -3.28 -18.53 -28.91 -2.33 -19.01 -30.75 -3.61 13.59 12.62 -5.22 13.58 13.96 coo -4.91 -24.14 -27.53 -3.37 -22.71 -27.06 -2.46 15.86 19.61 -4.11 14.69 20.29 3hde_o00 source 3HDE LYSOZYME : 2 hits 3hde_o00 naa= 3 ULMN 3 3hde_o01 LYSOZYME user 1 3 # 1 B 35 GLU A 117 GLU~? 25.40 O3 SO4 A 243 B 44 ASP A 210 ASP^? 16.17 O3 SO4 A 243 B 50 THR A 212 THR^? 14.79 O3 SO4 A 243 coo -10.34 -10.51 -29.93 -8.23 -10.47 -29.91 27.34 13.07 -4.01 26.27 14.77 -4.79 coo -0.99 -14.50 -23.89 0.18 -12.74 -23.86 15.65 9.10 1.05 17.66 9.20 0.39 coo -5.24 -12.06 -20.18 -4.96 -12.24 -22.31 21.33 6.89 5.45 22.71 8.01 4.37 ULMN 3 3hde_o01 LYSOZYME user 2 3 # 2 B 35 GLU A 144 GLU^? 5.14 O3 SO4 A 243 B 44 ASP A 210 ASP^? 16.17 O3 SO4 A 243 B 50 THR A 212 THR^? 14.79 O3 SO4 A 243 coo -10.34 -10.51 -29.93 -8.23 -10.47 -29.91 15.10 -1.99 1.69 15.82 -3.30 3.21 coo -0.99 -14.50 -23.89 0.18 -12.74 -23.86 15.65 9.10 1.05 17.66 9.20 0.39 coo -5.24 -12.06 -20.18 -4.96 -12.24 -22.31 21.33 6.89 5.45 22.71 8.01 4.37 ULMN 3 3hde_o01 LYSOZYME user 3 3 # 3 B 35 GLU A 208 GLU^? 18.11 O3 SO4 A 243 B 44 ASP A 204 ASP.? 25.99 O3 SO4 A 243 B 50 THR A 230 THR.? 22.77 O3 SO4 A 243 coo -10.34 -10.51 -29.93 -8.23 -10.47 -29.91 11.78 7.44 -1.74 12.80 8.58 -3.28 coo -0.99 -14.50 -23.89 0.18 -12.74 -23.86 0.25 4.29 -7.71 -1.48 3.39 -8.50 coo -5.24 -12.06 -20.18 -4.96 -12.24 -22.31 0.21 5.74 -0.13 0.26 7.49 -1.40 ULMN 3 3hde_o01 LYSOZYME user 4 3 # 4 B 35 GLU B 117 GLU~? 24.79 O1 SO4 B 243 B 44 ASP B 210 ASP^? 16.02 O1 SO4 B 243 B 50 THR B 212 THR^? 14.56 O1 SO4 B 243 coo -10.34 -10.51 -29.93 -8.23 -10.47 -29.91 -13.76 9.47 20.61 -15.59 10.28 21.49 coo -0.99 -14.50 -23.89 0.18 -12.74 -23.86 -3.61 13.59 12.62 -5.22 13.58 13.96 coo -5.24 -12.06 -20.18 -4.96 -12.24 -22.31 -2.46 15.86 19.61 -4.11 14.69 20.29 ULMN 3 3hde_o01 LYSOZYME user 5 3 # 5 B 35 GLU B 144 GLU^? 5.26 O1 SO4 B 243 B 44 ASP B 210 ASP^? 16.02 O1 SO4 B 243 B 50 THR B 212 THR^? 14.56 O1 SO4 B 243 coo -10.34 -10.51 -29.93 -8.23 -10.47 -29.91 -2.94 24.68 12.26 -2.09 26.04 13.69 coo -0.99 -14.50 -23.89 0.18 -12.74 -23.86 -3.61 13.59 12.62 -5.22 13.58 13.96 coo -5.24 -12.06 -20.18 -4.96 -12.24 -22.31 -2.46 15.86 19.61 -4.11 14.69 20.29 ULMN 3 3hde_o01 LYSOZYME user 6 3 # 6 B 35 GLU B 208 GLU^? 18.08 O1 SO4 B 243 B 44 ASP B 204 ASP.? 26.31 O1 SO4 B 243 B 50 THR B 230 THR.? 23.10 O1 SO4 B 243 coo -10.34 -10.51 -29.93 -8.23 -10.47 -29.91 -4.22 15.23 7.76 -6.03 14.17 7.93 coo -0.99 -14.50 -23.89 0.18 -12.74 -23.86 -4.03 18.39 -5.24 -3.87 19.29 -7.14 coo -5.24 -12.06 -20.18 -4.96 -12.24 -22.31 2.70 16.87 -1.57 1.49 15.14 -2.13 3hde_o01 source 3HDE LYSOZYME : 6 hits 3hde_o01 naa= 3 ULMN 3 3hde_o02 LYSOZYME user 1 3 # 1 C 35 GLU A 117 GLU~? 25.40 O3 SO4 A 243 C 44 ASP A 210 ASP^? 16.17 O3 SO4 A 243 C 50 THR A 212 THR^? 14.79 O3 SO4 A 243 coo 15.89 -0.52 0.58 15.91 1.38 -0.35 27.34 13.07 -4.01 26.27 14.77 -4.79 coo 24.21 6.79 -4.52 23.75 8.67 -3.70 15.65 9.10 1.05 17.66 9.20 0.39 coo 25.48 4.87 1.60 23.90 4.95 0.15 21.33 6.89 5.45 22.71 8.01 4.37 ULMN 3 3hde_o02 LYSOZYME user 2 3 # 2 C 35 GLU A 144 GLU^? 5.14 O3 SO4 A 243 C 44 ASP A 210 ASP^? 16.17 O3 SO4 A 243 C 50 THR A 212 THR^? 14.79 O3 SO4 A 243 coo 15.89 -0.52 0.58 15.91 1.38 -0.35 15.10 -1.99 1.69 15.82 -3.30 3.21 coo 24.21 6.79 -4.52 23.75 8.67 -3.70 15.65 9.10 1.05 17.66 9.20 0.39 coo 25.48 4.87 1.60 23.90 4.95 0.15 21.33 6.89 5.45 22.71 8.01 4.37 ULMN 3 3hde_o02 LYSOZYME user 3 3 # 3 C 35 GLU A 208 GLU^? 18.11 O3 SO4 A 243 C 44 ASP A 204 ASP.? 25.99 O3 SO4 A 243 C 50 THR A 230 THR.? 22.77 O3 SO4 A 243 coo 15.89 -0.52 0.58 15.91 1.38 -0.35 11.78 7.44 -1.74 12.80 8.58 -3.28 coo 24.21 6.79 -4.52 23.75 8.67 -3.70 0.25 4.29 -7.71 -1.48 3.39 -8.50 coo 25.48 4.87 1.60 23.90 4.95 0.15 0.21 5.74 -0.13 0.26 7.49 -1.40 ULMN 3 3hde_o02 LYSOZYME user 4 3 # 4 C 35 GLU B 144 GLU^? 5.26 O1 SO4 B 243 C 44 ASP B 210 ASP^? 16.02 O1 SO4 B 243 C 50 THR B 212 THR^? 14.56 O1 SO4 B 243 coo 15.89 -0.52 0.58 15.91 1.38 -0.35 -2.94 24.68 12.26 -2.09 26.04 13.69 coo 24.21 6.79 -4.52 23.75 8.67 -3.70 -3.61 13.59 12.62 -5.22 13.58 13.96 coo 25.48 4.87 1.60 23.90 4.95 0.15 -2.46 15.86 19.61 -4.11 14.69 20.29 ULMN 3 3hde_o02 LYSOZYME user 5 3 # 5 C 35 GLU B 208 GLU^? 18.08 O1 SO4 B 243 C 44 ASP B 204 ASP.? 26.31 O1 SO4 B 243 C 50 THR B 230 THR.? 23.10 O1 SO4 B 243 coo 15.89 -0.52 0.58 15.91 1.38 -0.35 -4.22 15.23 7.76 -6.03 14.17 7.93 coo 24.21 6.79 -4.52 23.75 8.67 -3.70 -4.03 18.39 -5.24 -3.87 19.29 -7.14 coo 25.48 4.87 1.60 23.90 4.95 0.15 2.70 16.87 -1.57 1.49 15.14 -2.13 3hde_o02 source 3HDE LYSOZYME : 5 hits 3hde_o02 naa= 3 ULMN 3 3iu0_o00 PROTEIN-GLUTAMINE GAMMA-GLUTAMYLTRANuser 1 3 # 1 A 110 CYH A 200 CYH.? 21.90 O3 SO4 A 243 A 301 ASP A 199 ASP~? 23.37 O3 SO4 A 243 A 320 HIS A 229 HIS^? 22.39 O3 SO4 A 243 coo -1.82 -20.48 -11.98 0.91 -20.78 -13.68 -0.03 -1.22 -8.06 2.13 0.46 -7.36 coo -1.58 -17.18 -17.34 -1.56 -16.12 -15.50 0.76 -5.74 -6.28 -1.07 -6.47 -7.05 coo -4.05 -14.06 -11.86 -3.22 -12.14 -12.04 -0.05 2.05 -3.08 -1.62 2.78 -4.27 ULMN 3 3iu0_o00 PROTEIN-GLUTAMINE GAMMA-GLUTAMYLTRANuser 2 3 # 2 A 110 CYH A 200 CYH.? 21.90 O3 SO4 A 243 A 301 ASP A 201 ASP.? 28.67 O3 SO4 A 243 A 320 HIS A 229 HIS^? 22.39 O3 SO4 A 243 coo -1.82 -20.48 -11.98 0.91 -20.78 -13.68 -0.03 -1.22 -8.06 2.13 0.46 -7.36 coo -1.58 -17.18 -17.34 -1.56 -16.12 -15.50 -1.72 1.66 -11.39 -3.36 0.47 -11.68 coo -4.05 -14.06 -11.86 -3.22 -12.14 -12.04 -0.05 2.05 -3.08 -1.62 2.78 -4.27 ULMN 3 3iu0_o00 PROTEIN-GLUTAMINE GAMMA-GLUTAMYLTRANuser 3 3 # 3 A 110 CYH A 200 CYH.? 21.90 O3 SO4 A 243 A 301 ASP A 204 ASP.? 25.99 O3 SO4 A 243 A 320 HIS A 229 HIS^? 22.39 O3 SO4 A 243 coo -1.82 -20.48 -11.98 0.91 -20.78 -13.68 -0.03 -1.22 -8.06 2.13 0.46 -7.36 coo -1.58 -17.18 -17.34 -1.56 -16.12 -15.50 0.25 4.29 -7.71 -1.48 3.39 -8.50 coo -4.05 -14.06 -11.86 -3.22 -12.14 -12.04 -0.05 2.05 -3.08 -1.62 2.78 -4.27 ULMN 3 3iu0_o00 PROTEIN-GLUTAMINE GAMMA-GLUTAMYLTRANuser 4 3 # 4 A 110 CYH B 200 CYH.? 22.22 O1 SO4 B 243 A 301 ASP B 199 ASP~? 23.68 O1 SO4 B 243 A 320 HIS B 229 HIS^? 22.78 O1 SO4 B 243 coo -1.82 -20.48 -11.98 0.91 -20.78 -13.68 -4.23 23.83 -5.59 -4.70 22.08 -3.39 coo -1.58 -17.18 -17.34 -1.56 -16.12 -15.50 -3.04 28.39 -4.12 -2.88 29.28 -6.05 coo -4.05 -14.06 -11.86 -3.22 -12.14 -12.04 0.17 20.57 -3.28 -0.12 19.82 -5.21 ULMN 3 3iu0_o00 PROTEIN-GLUTAMINE GAMMA-GLUTAMYLTRANuser 5 3 # 5 A 110 CYH B 200 CYH.? 22.22 O1 SO4 B 243 A 301 ASP B 201 ASP.? 28.94 O1 SO4 B 243 A 320 HIS B 229 HIS^? 22.78 O1 SO4 B 243 coo -1.82 -20.48 -11.98 0.91 -20.78 -13.68 -4.23 23.83 -5.59 -4.70 22.08 -3.39 coo -1.58 -17.18 -17.34 -1.56 -16.12 -15.50 -6.53 20.97 -8.85 -5.67 22.23 -10.32 coo -4.05 -14.06 -11.86 -3.22 -12.14 -12.04 0.17 20.57 -3.28 -0.12 19.82 -5.21 ULMN 3 3iu0_o00 PROTEIN-GLUTAMINE GAMMA-GLUTAMYLTRANuser 6 3 # 6 A 110 CYH B 200 CYH.? 22.22 O1 SO4 B 243 A 301 ASP B 204 ASP.? 26.31 O1 SO4 B 243 A 320 HIS B 229 HIS^? 22.78 O1 SO4 B 243 coo -1.82 -20.48 -11.98 0.91 -20.78 -13.68 -4.23 23.83 -5.59 -4.70 22.08 -3.39 coo -1.58 -17.18 -17.34 -1.56 -16.12 -15.50 -4.03 18.39 -5.24 -3.87 19.29 -7.14 coo -4.05 -14.06 -11.86 -3.22 -12.14 -12.04 0.17 20.57 -3.28 -0.12 19.82 -5.21 3iu0_o00 source 3IU0 PROTEIN-GLUTAMINE GAMMA-GLUTAMYLTRANSFERASE : 6 hits 3iu0_o00 naa= 3 ULMN 3 3nwu_o00 SERINE PROTEASE HTRA1 user 1 3 # 1 A 220 HIS A 102 HIS^? 13.43 O1 SO4 A 243 A 250 ASP A 162 ASP.? 11.51 O1 SO4 A 243 A 328 SER A 105 SER^? 14.75 O1 SO4 A 243 coo -31.63 42.33 -9.10 -32.09 43.47 -7.39 10.89 -12.56 -1.72 11.39 -13.56 -3.50 coo -28.83 47.26 -8.07 -29.71 45.89 -9.37 14.78 -15.75 1.96 14.18 -15.13 0.01 coo -31.38 44.75 -19.08 -33.61 43.88 -19.06 17.97 -9.58 -6.03 17.57 -7.57 -7.37 ULMN 3 3nwu_o00 SERINE PROTEASE HTRA1 user 2 3 # 2 A 220 HIS B 102 HIS^? 13.40 O3 SO4 B 243 A 250 ASP B 162 ASP.? 11.47 O3 SO4 B 243 A 328 SER B 105 SER^? 14.66 O3 SO4 B 243 coo -31.63 42.33 -9.10 -32.09 43.47 -7.39 -4.13 35.26 6.99 -5.90 36.34 6.69 coo -28.83 47.26 -8.07 -29.71 45.89 -9.37 -2.91 38.69 12.19 -3.85 37.85 10.43 coo -31.38 44.75 -19.08 -33.61 43.88 -19.06 -11.13 32.24 11.11 -11.87 30.19 10.06 3nwu_o00 source 3NWU SERINE PROTEASE HTRA1 : 2 hits 3nwu_o00 naa= 3 ULMN 3 3nwu_o01 SERINE PROTEASE HTRA1 user 1 3 # 1 B 220 HIS A 102 HIS^? 13.43 O1 SO4 A 243 B 250 ASP A 162 ASP.? 11.51 O1 SO4 A 243 B 328 SER A 105 SER^? 14.75 O1 SO4 A 243 coo -60.95 64.74 -17.31 -62.53 64.43 -18.66 10.89 -12.56 -1.72 11.39 -13.56 -3.50 coo -61.22 67.85 -22.15 -60.12 66.82 -20.67 14.78 -15.75 1.96 14.18 -15.13 0.01 coo -50.80 64.58 -18.50 -51.05 62.31 -17.80 17.97 -9.58 -6.03 17.57 -7.57 -7.37 ULMN 3 3nwu_o01 SERINE PROTEASE HTRA1 user 2 3 # 2 B 220 HIS B 102 HIS^? 13.40 O3 SO4 B 243 B 250 ASP B 162 ASP.? 11.47 O3 SO4 B 243 B 328 SER B 105 SER^? 14.66 O3 SO4 B 243 coo -60.95 64.74 -17.31 -62.53 64.43 -18.66 -4.13 35.26 6.99 -5.90 36.34 6.69 coo -61.22 67.85 -22.15 -60.12 66.82 -20.67 -2.91 38.69 12.19 -3.85 37.85 10.43 coo -50.80 64.58 -18.50 -51.05 62.31 -17.80 -11.13 32.24 11.11 -11.87 30.19 10.06 3nwu_o01 source 3NWU SERINE PROTEASE HTRA1 : 2 hits 3nwu_o01 naa= 3 ULMN 3 3nwu_o02 SERINE PROTEASE HTRA1 user 1 3 # 1 C 220 HIS A 102 HIS^? 13.43 O1 SO4 A 243 C 250 ASP A 162 ASP.? 11.51 O1 SO4 A 243 C 328 SER A 105 SER^? 14.75 O1 SO4 A 243 coo -51.93 36.48 -40.55 -50.74 34.79 -40.19 10.89 -12.56 -1.72 11.39 -13.56 -3.50 coo -46.79 36.05 -43.01 -48.32 37.22 -42.10 14.78 -15.75 1.96 14.18 -15.13 0.01 coo -50.01 46.48 -39.48 -50.98 46.14 -37.32 17.97 -9.58 -6.03 17.57 -7.57 -7.37 ULMN 3 3nwu_o02 SERINE PROTEASE HTRA1 user 2 3 # 2 C 220 HIS B 102 HIS^? 13.40 O3 SO4 B 243 C 250 ASP B 162 ASP.? 11.47 O3 SO4 B 243 C 328 SER B 105 SER^? 14.66 O3 SO4 B 243 coo -51.93 36.48 -40.55 -50.74 34.79 -40.19 -4.13 35.26 6.99 -5.90 36.34 6.69 coo -46.79 36.05 -43.01 -48.32 37.22 -42.10 -2.91 38.69 12.19 -3.85 37.85 10.43 coo -50.01 46.48 -39.48 -50.98 46.14 -37.32 -11.13 32.24 11.11 -11.87 30.19 10.06 3nwu_o02 source 3NWU SERINE PROTEASE HTRA1 : 2 hits 3nwu_o02 naa= 3 ULMN 3 3o4g_o00 ACYLAMINO-ACID-RELEASING ENZYME user 1 3 # 1 A 445 SER A 105 SER^? 14.75 O1 SO4 A 243 A 524 ASP A 157 ASP~? 15.53 O1 SO4 A 243 A 556 HIS A 106 HIS^? 13.08 O1 SO4 A 243 coo 12.47 10.19 -6.98 12.48 12.40 -7.89 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo 3.92 10.81 -9.94 5.89 11.57 -9.70 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo 7.59 13.76 -7.91 9.53 12.97 -7.82 22.50 -10.50 -3.88 23.13 -12.51 -3.91 ULMN 3 3o4g_o00 ACYLAMINO-ACID-RELEASING ENZYME user 2 3 # 2 A 445 SER B 105 SER^? 14.66 O3 SO4 B 243 A 524 ASP B 157 ASP~? 15.61 O3 SO4 B 243 A 556 HIS B 106 HIS^? 13.01 O3 SO4 B 243 coo 12.47 10.19 -6.98 12.48 12.40 -7.89 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 3.92 10.81 -9.94 5.89 11.57 -9.70 -12.32 32.41 21.01 -13.75 33.02 22.44 coo 7.59 13.76 -7.91 9.53 12.97 -7.82 -11.40 33.04 16.07 -11.74 35.05 16.56 3o4g_o00 source 3O4G ACYLAMINO-ACID-RELEASING ENZYME : 2 hits 3o4g_o00 naa= 3 ULMN 3 3o4g_o02 ACYLAMINO-ACID-RELEASING ENZYME user 1 3 # 1 C 445 SER A 105 SER^? 14.75 O1 SO4 A 243 C 524 ASP A 157 ASP~? 15.53 O1 SO4 A 243 C 556 HIS A 106 HIS^? 13.08 O1 SO4 A 243 coo -35.83 1.21 57.61 -37.94 0.15 57.18 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo -39.65 7.59 52.45 -39.69 5.70 53.46 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo -39.51 2.45 52.87 -38.69 1.68 54.64 22.50 -10.50 -3.88 23.13 -12.51 -3.91 ULMN 3 3o4g_o02 ACYLAMINO-ACID-RELEASING ENZYME user 2 3 # 2 C 445 SER B 105 SER^? 14.66 O3 SO4 B 243 C 524 ASP B 157 ASP~? 15.61 O3 SO4 B 243 C 556 HIS B 106 HIS^? 13.01 O3 SO4 B 243 coo -35.83 1.21 57.61 -37.94 0.15 57.18 -11.13 32.24 11.11 -11.87 30.19 10.06 coo -39.65 7.59 52.45 -39.69 5.70 53.46 -12.32 32.41 21.01 -13.75 33.02 22.44 coo -39.51 2.45 52.87 -38.69 1.68 54.64 -11.40 33.04 16.07 -11.74 35.05 16.56 3o4g_o02 source 3O4G ACYLAMINO-ACID-RELEASING ENZYME : 2 hits 3o4g_o02 naa= 3 ULMN 3 3oit_o00 CURCUMINOID SYNTHASE CUS FROM ORYZA user 1 3 # 1 A 174 CYH A 200 CYH.? 21.90 O3 SO4 A 243 A 316 HIS A 229 HIS^? 22.39 O3 SO4 A 243 A 349 ASN A 231 ASN.? 25.70 O3 SO4 A 243 coo -10.44 8.67 -15.29 -10.87 9.91 -12.85 -0.03 -1.22 -8.06 2.13 0.46 -7.36 coo -8.84 5.26 -11.40 -8.74 7.34 -11.13 -0.05 2.05 -3.08 -1.62 2.78 -4.27 coo -7.02 10.62 -7.94 -8.40 9.02 -8.30 -4.01 3.19 -0.61 -4.89 4.35 -2.16 ULMN 3 3oit_o00 CURCUMINOID SYNTHASE CUS FROM ORYZA user 2 3 # 2 A 174 CYH B 200 CYH.? 22.22 O1 SO4 B 243 A 316 HIS B 229 HIS^? 22.78 O1 SO4 B 243 A 349 ASN B 231 ASN.? 26.15 O1 SO4 B 243 coo -10.44 8.67 -15.29 -10.87 9.91 -12.85 -4.23 23.83 -5.59 -4.70 22.08 -3.39 coo -8.84 5.26 -11.40 -8.74 7.34 -11.13 0.17 20.57 -3.28 -0.12 19.82 -5.21 coo -7.02 10.62 -7.94 -8.40 9.02 -8.30 4.19 19.46 -5.53 3.38 18.27 -7.08 3oit_o00 source 3OIT CURCUMINOID SYNTHASE CUS FROM ORYZA SATIVA : 2 hits 3oit_o00 naa= 3 ULMN 3 3oit_o01 CURCUMINOID SYNTHASE CUS FROM ORYZA user 1 3 # 1 B 174 CYH A 200 CYH.? 21.90 O3 SO4 A 243 B 316 HIS A 229 HIS^? 22.39 O3 SO4 A 243 B 349 ASN A 231 ASN.? 25.70 O3 SO4 A 243 coo -8.55 18.60 -40.25 -8.63 21.23 -41.05 -0.03 -1.22 -8.06 2.13 0.46 -7.36 coo -9.47 18.57 -45.47 -10.24 20.15 -44.33 -0.05 2.05 -3.08 -1.62 2.78 -4.27 coo -13.35 23.84 -44.65 -11.52 23.02 -45.23 -4.01 3.19 -0.61 -4.89 4.35 -2.16 ULMN 3 3oit_o01 CURCUMINOID SYNTHASE CUS FROM ORYZA user 2 3 # 2 B 174 CYH B 200 CYH.? 22.22 O1 SO4 B 243 B 316 HIS B 229 HIS^? 22.78 O1 SO4 B 243 B 349 ASN B 231 ASN.? 26.15 O1 SO4 B 243 coo -8.55 18.60 -40.25 -8.63 21.23 -41.05 -4.23 23.83 -5.59 -4.70 22.08 -3.39 coo -9.47 18.57 -45.47 -10.24 20.15 -44.33 0.17 20.57 -3.28 -0.12 19.82 -5.21 coo -13.35 23.84 -44.65 -11.52 23.02 -45.23 4.19 19.46 -5.53 3.38 18.27 -7.08 3oit_o01 source 3OIT CURCUMINOID SYNTHASE CUS FROM ORYZA SATIVA : 2 hits 3oit_o01 naa= 3 ULMN 3 3qwd_o00 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 # 1 A 98 SER A 105 SER^? 14.75 O1 SO4 A 243 A 123 HIS A 106 HIS^? 13.08 O1 SO4 A 243 A 172 ASP A 157 ASP~? 15.53 O1 SO4 A 243 coo 45.74 29.80 42.79 47.58 31.06 41.64 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo 44.17 25.61 37.60 45.21 25.56 35.81 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo 39.85 24.35 34.94 41.12 25.58 33.83 27.16 -9.86 -2.28 29.16 -10.33 -2.80 ULMN 3 3qwd_o00 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 2 3 # 2 A 98 SER B 105 SER^? 14.66 O3 SO4 B 243 A 123 HIS B 102 HIS^? 13.40 O3 SO4 B 243 A 172 ASP B 162 ASP.? 11.47 O3 SO4 B 243 coo 45.74 29.80 42.79 47.58 31.06 41.64 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 44.17 25.61 37.60 45.21 25.56 35.81 -4.13 35.26 6.99 -5.90 36.34 6.69 coo 39.85 24.35 34.94 41.12 25.58 33.83 -2.91 38.69 12.19 -3.85 37.85 10.43 ULMN 3 3qwd_o00 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 3 3 # 3 A 98 SER B 105 SER^? 14.66 O3 SO4 B 243 A 123 HIS B 106 HIS^? 13.01 O3 SO4 B 243 A 172 ASP B 157 ASP~? 15.61 O3 SO4 B 243 coo 45.74 29.80 42.79 47.58 31.06 41.64 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 44.17 25.61 37.60 45.21 25.56 35.81 -11.40 33.04 16.07 -11.74 35.05 16.56 coo 39.85 24.35 34.94 41.12 25.58 33.83 -12.32 32.41 21.01 -13.75 33.02 22.44 ULMN 3 3qwd_o00 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 4 3 # 4 A 98 SER B 239 SER.? 13.78 O3 SO4 A 243 A 123 HIS A 180 HIS^? 16.73 O4 SO4 A 243 A 172 ASP A 218 ASP~? 20.27 O4 SO4 A 243 coo 45.74 29.80 42.79 47.58 31.06 41.64 16.84 9.01 14.32 16.23 6.75 15.02 coo 44.17 25.61 37.60 45.21 25.56 35.81 23.63 8.86 13.89 25.45 9.53 13.13 coo 39.85 24.35 34.94 41.12 25.58 33.83 29.47 11.44 11.56 27.66 12.20 10.67 3qwd_o00 source 3QWD ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT: 4 hits 3qwd_o00 naa= 3 ULMN 3 3qwd_o01 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 # 1 B 98 SER A 105 SER^? 14.75 O1 SO4 A 243 B 123 HIS A 102 HIS^? 13.43 O1 SO4 A 243 B 172 ASP A 162 ASP.? 11.51 O1 SO4 A 243 coo 71.87 39.14 40.71 71.75 41.26 39.36 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo 73.25 34.64 35.72 73.65 35.23 33.78 10.89 -12.56 -1.72 11.39 -13.56 -3.50 coo 70.98 30.38 33.77 70.74 32.03 32.50 14.78 -15.75 1.96 14.18 -15.13 0.01 ULMN 3 3qwd_o01 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 2 3 # 2 B 98 SER A 105 SER^? 14.75 O1 SO4 A 243 B 123 HIS A 106 HIS^? 13.08 O1 SO4 A 243 B 172 ASP A 157 ASP~? 15.53 O1 SO4 A 243 coo 71.87 39.14 40.71 71.75 41.26 39.36 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo 73.25 34.64 35.72 73.65 35.23 33.78 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo 70.98 30.38 33.77 70.74 32.03 32.50 27.16 -9.86 -2.28 29.16 -10.33 -2.80 ULMN 3 3qwd_o01 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 3 3 # 3 B 98 SER B 105 SER^? 14.66 O3 SO4 B 243 B 123 HIS B 102 HIS^? 13.40 O3 SO4 B 243 B 172 ASP B 162 ASP.? 11.47 O3 SO4 B 243 coo 71.87 39.14 40.71 71.75 41.26 39.36 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 73.25 34.64 35.72 73.65 35.23 33.78 -4.13 35.26 6.99 -5.90 36.34 6.69 coo 70.98 30.38 33.77 70.74 32.03 32.50 -2.91 38.69 12.19 -3.85 37.85 10.43 ULMN 3 3qwd_o01 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 4 3 # 4 B 98 SER B 105 SER^? 14.66 O3 SO4 B 243 B 123 HIS B 106 HIS^? 13.01 O3 SO4 B 243 B 172 ASP B 157 ASP~? 15.61 O3 SO4 B 243 coo 71.87 39.14 40.71 71.75 41.26 39.36 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 73.25 34.64 35.72 73.65 35.23 33.78 -11.40 33.04 16.07 -11.74 35.05 16.56 coo 70.98 30.38 33.77 70.74 32.03 32.50 -12.32 32.41 21.01 -13.75 33.02 22.44 ULMN 3 3qwd_o01 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 5 3 # 5 B 98 SER B 239 SER.? 13.78 O3 SO4 A 243 B 123 HIS A 180 HIS^? 16.73 O4 SO4 A 243 B 172 ASP A 218 ASP~? 20.27 O4 SO4 A 243 coo 71.87 39.14 40.71 71.75 41.26 39.36 16.84 9.01 14.32 16.23 6.75 15.02 coo 73.25 34.64 35.72 73.65 35.23 33.78 23.63 8.86 13.89 25.45 9.53 13.13 coo 70.98 30.38 33.77 70.74 32.03 32.50 29.47 11.44 11.56 27.66 12.20 10.67 3qwd_o01 source 3QWD ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT: 5 hits 3qwd_o01 naa= 3 ULMN 3 3qwd_o02 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 # 1 C 98 SER A 105 SER^? 14.75 O1 SO4 A 243 C 123 HIS A 106 HIS^? 13.08 O1 SO4 A 243 C 172 ASP A 157 ASP~? 15.53 O1 SO4 A 243 coo 80.36 64.80 34.44 78.44 65.95 33.29 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo 83.70 62.42 29.01 83.15 62.88 27.08 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo 85.17 57.73 27.21 83.46 58.45 26.25 27.16 -9.86 -2.28 29.16 -10.33 -2.80 ULMN 3 3qwd_o02 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 2 3 # 2 C 98 SER B 105 SER^? 14.66 O3 SO4 B 243 C 123 HIS B 102 HIS^? 13.40 O3 SO4 B 243 C 172 ASP B 162 ASP.? 11.47 O3 SO4 B 243 coo 80.36 64.80 34.44 78.44 65.95 33.29 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 83.70 62.42 29.01 83.15 62.88 27.08 -4.13 35.26 6.99 -5.90 36.34 6.69 coo 85.17 57.73 27.21 83.46 58.45 26.25 -2.91 38.69 12.19 -3.85 37.85 10.43 ULMN 3 3qwd_o02 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 3 3 # 3 C 98 SER B 105 SER^? 14.66 O3 SO4 B 243 C 123 HIS B 106 HIS^? 13.01 O3 SO4 B 243 C 172 ASP B 157 ASP~? 15.61 O3 SO4 B 243 coo 80.36 64.80 34.44 78.44 65.95 33.29 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 83.70 62.42 29.01 83.15 62.88 27.08 -11.40 33.04 16.07 -11.74 35.05 16.56 coo 85.17 57.73 27.21 83.46 58.45 26.25 -12.32 32.41 21.01 -13.75 33.02 22.44 ULMN 3 3qwd_o02 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 4 3 # 4 C 98 SER B 239 SER.? 13.78 O3 SO4 A 243 C 123 HIS A 180 HIS^? 16.73 O4 SO4 A 243 C 172 ASP A 218 ASP~? 20.27 O4 SO4 A 243 coo 80.36 64.80 34.44 78.44 65.95 33.29 16.84 9.01 14.32 16.23 6.75 15.02 coo 83.70 62.42 29.01 83.15 62.88 27.08 23.63 8.86 13.89 25.45 9.53 13.13 coo 85.17 57.73 27.21 83.46 58.45 26.25 29.47 11.44 11.56 27.66 12.20 10.67 3qwd_o02 source 3QWD ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT: 4 hits 3qwd_o02 naa= 3 ULMN 3 3qwd_o03 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 # 1 D 98 SER A 105 SER^? 14.75 O1 SO4 A 243 D 123 HIS A 102 HIS^? 13.43 O1 SO4 A 243 D 172 ASP A 162 ASP.? 11.51 O1 SO4 A 243 coo 65.12 87.33 28.49 62.90 86.32 27.74 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo 67.96 87.91 22.28 66.90 87.63 20.52 10.89 -12.56 -1.72 11.39 -13.56 -3.50 coo 72.12 85.84 19.92 70.35 84.94 19.30 14.78 -15.75 1.96 14.18 -15.13 0.01 ULMN 3 3qwd_o03 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 2 3 # 2 D 98 SER A 105 SER^? 14.75 O1 SO4 A 243 D 123 HIS A 106 HIS^? 13.08 O1 SO4 A 243 D 172 ASP A 157 ASP~? 15.53 O1 SO4 A 243 coo 65.12 87.33 28.49 62.90 86.32 27.74 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo 67.96 87.91 22.28 66.90 87.63 20.52 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo 72.12 85.84 19.92 70.35 84.94 19.30 27.16 -9.86 -2.28 29.16 -10.33 -2.80 ULMN 3 3qwd_o03 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 3 3 # 3 D 98 SER B 105 SER^? 14.66 O3 SO4 B 243 D 123 HIS B 102 HIS^? 13.40 O3 SO4 B 243 D 172 ASP B 162 ASP.? 11.47 O3 SO4 B 243 coo 65.12 87.33 28.49 62.90 86.32 27.74 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 67.96 87.91 22.28 66.90 87.63 20.52 -4.13 35.26 6.99 -5.90 36.34 6.69 coo 72.12 85.84 19.92 70.35 84.94 19.30 -2.91 38.69 12.19 -3.85 37.85 10.43 ULMN 3 3qwd_o03 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 4 3 # 4 D 98 SER B 105 SER^? 14.66 O3 SO4 B 243 D 123 HIS B 106 HIS^? 13.01 O3 SO4 B 243 D 172 ASP B 157 ASP~? 15.61 O3 SO4 B 243 coo 65.12 87.33 28.49 62.90 86.32 27.74 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 67.96 87.91 22.28 66.90 87.63 20.52 -11.40 33.04 16.07 -11.74 35.05 16.56 coo 72.12 85.84 19.92 70.35 84.94 19.30 -12.32 32.41 21.01 -13.75 33.02 22.44 ULMN 3 3qwd_o03 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 5 3 # 5 D 98 SER B 239 SER.? 13.78 O3 SO4 A 243 D 123 HIS A 180 HIS^? 16.73 O4 SO4 A 243 D 172 ASP A 218 ASP~? 20.27 O4 SO4 A 243 coo 65.12 87.33 28.49 62.90 86.32 27.74 16.84 9.01 14.32 16.23 6.75 15.02 coo 67.96 87.91 22.28 66.90 87.63 20.52 23.63 8.86 13.89 25.45 9.53 13.13 coo 72.12 85.84 19.92 70.35 84.94 19.30 29.47 11.44 11.56 27.66 12.20 10.67 3qwd_o03 source 3QWD ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT: 5 hits 3qwd_o03 naa= 3 ULMN 3 3qwd_o04 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 # 1 E 98 SER A 105 SER^? 14.75 O1 SO4 A 243 E 123 HIS A 106 HIS^? 13.08 O1 SO4 A 243 E 172 ASP A 157 ASP~? 15.53 O1 SO4 A 243 coo 37.23 89.57 27.33 36.32 87.23 27.07 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo 37.64 91.40 20.82 36.88 90.22 19.31 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo 41.40 92.80 17.47 40.89 90.79 17.30 27.16 -9.86 -2.28 29.16 -10.33 -2.80 ULMN 3 3qwd_o04 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 2 3 # 2 E 98 SER B 105 SER^? 14.66 O3 SO4 B 243 E 123 HIS B 102 HIS^? 13.40 O3 SO4 B 243 E 172 ASP B 162 ASP.? 11.47 O3 SO4 B 243 coo 37.23 89.57 27.33 36.32 87.23 27.07 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 37.64 91.40 20.82 36.88 90.22 19.31 -4.13 35.26 6.99 -5.90 36.34 6.69 coo 41.40 92.80 17.47 40.89 90.79 17.30 -2.91 38.69 12.19 -3.85 37.85 10.43 ULMN 3 3qwd_o04 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 3 3 # 3 E 98 SER B 105 SER^? 14.66 O3 SO4 B 243 E 123 HIS B 106 HIS^? 13.01 O3 SO4 B 243 E 172 ASP B 157 ASP~? 15.61 O3 SO4 B 243 coo 37.23 89.57 27.33 36.32 87.23 27.07 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 37.64 91.40 20.82 36.88 90.22 19.31 -11.40 33.04 16.07 -11.74 35.05 16.56 coo 41.40 92.80 17.47 40.89 90.79 17.30 -12.32 32.41 21.01 -13.75 33.02 22.44 ULMN 3 3qwd_o04 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 4 3 # 4 E 98 SER B 239 SER.? 13.78 O3 SO4 A 243 E 123 HIS A 180 HIS^? 16.73 O4 SO4 A 243 E 172 ASP A 218 ASP~? 20.27 O4 SO4 A 243 coo 37.23 89.57 27.33 36.32 87.23 27.07 16.84 9.01 14.32 16.23 6.75 15.02 coo 37.64 91.40 20.82 36.88 90.22 19.31 23.63 8.86 13.89 25.45 9.53 13.13 coo 41.40 92.80 17.47 40.89 90.79 17.30 29.47 11.44 11.56 27.66 12.20 10.67 3qwd_o04 source 3QWD ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT: 4 hits 3qwd_o04 naa= 3 ULMN 3 3qwd_o05 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 # 1 F 98 SER A 105 SER^? 14.75 O1 SO4 A 243 F 123 HIS A 106 HIS^? 13.08 O1 SO4 A 243 F 172 ASP A 157 ASP~? 15.53 O1 SO4 A 243 coo 17.74 70.20 32.16 18.92 67.99 31.89 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo 15.23 70.97 25.89 15.37 69.49 24.46 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo 15.81 74.47 22.06 16.86 72.70 21.69 27.16 -9.86 -2.28 29.16 -10.33 -2.80 ULMN 3 3qwd_o05 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 2 3 # 2 F 98 SER B 105 SER^? 14.66 O3 SO4 B 243 F 123 HIS B 102 HIS^? 13.40 O3 SO4 B 243 F 172 ASP B 162 ASP.? 11.47 O3 SO4 B 243 coo 17.74 70.20 32.16 18.92 67.99 31.89 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 15.23 70.97 25.89 15.37 69.49 24.46 -4.13 35.26 6.99 -5.90 36.34 6.69 coo 15.81 74.47 22.06 16.86 72.70 21.69 -2.91 38.69 12.19 -3.85 37.85 10.43 ULMN 3 3qwd_o05 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 3 3 # 3 F 98 SER B 105 SER^? 14.66 O3 SO4 B 243 F 123 HIS B 106 HIS^? 13.01 O3 SO4 B 243 F 172 ASP B 157 ASP~? 15.61 O3 SO4 B 243 coo 17.74 70.20 32.16 18.92 67.99 31.89 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 15.23 70.97 25.89 15.37 69.49 24.46 -11.40 33.04 16.07 -11.74 35.05 16.56 coo 15.81 74.47 22.06 16.86 72.70 21.69 -12.32 32.41 21.01 -13.75 33.02 22.44 3qwd_o05 source 3QWD ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT: 3 hits 3qwd_o05 naa= 3 ULMN 3 3qwd_o06 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 # 1 G 98 SER A 105 SER^? 14.75 O1 SO4 A 243 G 123 HIS A 106 HIS^? 13.08 O1 SO4 A 243 G 172 ASP A 157 ASP~? 15.53 O1 SO4 A 243 coo 21.77 43.27 39.21 24.15 42.72 38.52 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo 18.42 41.13 33.64 19.33 40.10 32.10 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo 15.38 43.36 30.02 17.34 43.09 29.34 27.16 -9.86 -2.28 29.16 -10.33 -2.80 ULMN 3 3qwd_o06 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 2 3 # 2 G 98 SER B 105 SER^? 14.66 O3 SO4 B 243 G 123 HIS B 102 HIS^? 13.40 O3 SO4 B 243 G 172 ASP B 162 ASP.? 11.47 O3 SO4 B 243 coo 21.77 43.27 39.21 24.15 42.72 38.52 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 18.42 41.13 33.64 19.33 40.10 32.10 -4.13 35.26 6.99 -5.90 36.34 6.69 coo 15.38 43.36 30.02 17.34 43.09 29.34 -2.91 38.69 12.19 -3.85 37.85 10.43 ULMN 3 3qwd_o06 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 3 3 # 3 G 98 SER B 105 SER^? 14.66 O3 SO4 B 243 G 123 HIS B 106 HIS^? 13.01 O3 SO4 B 243 G 172 ASP B 157 ASP~? 15.61 O3 SO4 B 243 coo 21.77 43.27 39.21 24.15 42.72 38.52 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 18.42 41.13 33.64 19.33 40.10 32.10 -11.40 33.04 16.07 -11.74 35.05 16.56 coo 15.38 43.36 30.02 17.34 43.09 29.34 -12.32 32.41 21.01 -13.75 33.02 22.44 ULMN 3 3qwd_o06 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 4 3 # 4 G 98 SER B 239 SER.? 13.78 O3 SO4 A 243 G 123 HIS A 180 HIS^? 16.73 O4 SO4 A 243 G 172 ASP A 218 ASP~? 20.27 O4 SO4 A 243 coo 21.77 43.27 39.21 24.15 42.72 38.52 16.84 9.01 14.32 16.23 6.75 15.02 coo 18.42 41.13 33.64 19.33 40.10 32.10 23.63 8.86 13.89 25.45 9.53 13.13 coo 15.38 43.36 30.02 17.34 43.09 29.34 29.47 11.44 11.56 27.66 12.20 10.67 3qwd_o06 source 3QWD ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT: 4 hits 3qwd_o06 naa= 3 ULMN 3 3qwd_o07 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 # 1 H 98 SER A 105 SER^? 14.75 O1 SO4 A 243 H 123 HIS A 106 HIS^? 13.08 O1 SO4 A 243 H 172 ASP A 157 ASP~? 15.53 O1 SO4 A 243 coo 156.20 56.60 78.78 153.83 56.16 78.10 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo 159.24 56.62 72.66 158.17 56.50 70.89 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo 162.98 53.88 70.28 161.08 53.28 69.65 27.16 -9.86 -2.28 29.16 -10.33 -2.80 ULMN 3 3qwd_o07 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 2 3 # 2 H 98 SER B 105 SER^? 14.66 O3 SO4 B 243 H 123 HIS B 102 HIS^? 13.40 O3 SO4 B 243 H 172 ASP B 162 ASP.? 11.47 O3 SO4 B 243 coo 156.20 56.60 78.78 153.83 56.16 78.10 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 159.24 56.62 72.66 158.17 56.50 70.89 -4.13 35.26 6.99 -5.90 36.34 6.69 coo 162.98 53.88 70.28 161.08 53.28 69.65 -2.91 38.69 12.19 -3.85 37.85 10.43 ULMN 3 3qwd_o07 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 3 3 # 3 H 98 SER B 105 SER^? 14.66 O3 SO4 B 243 H 123 HIS B 106 HIS^? 13.01 O3 SO4 B 243 H 172 ASP B 157 ASP~? 15.61 O3 SO4 B 243 coo 156.20 56.60 78.78 153.83 56.16 78.10 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 159.24 56.62 72.66 158.17 56.50 70.89 -11.40 33.04 16.07 -11.74 35.05 16.56 coo 162.98 53.88 70.28 161.08 53.28 69.65 -12.32 32.41 21.01 -13.75 33.02 22.44 ULMN 3 3qwd_o07 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 4 3 # 4 H 98 SER B 239 SER.? 13.78 O3 SO4 A 243 H 123 HIS A 180 HIS^? 16.73 O4 SO4 A 243 H 172 ASP A 218 ASP~? 20.27 O4 SO4 A 243 coo 156.20 56.60 78.78 153.83 56.16 78.10 16.84 9.01 14.32 16.23 6.75 15.02 coo 159.24 56.62 72.66 158.17 56.50 70.89 23.63 8.86 13.89 25.45 9.53 13.13 coo 162.98 53.88 70.28 161.08 53.28 69.65 29.47 11.44 11.56 27.66 12.20 10.67 3qwd_o07 source 3QWD ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT: 4 hits 3qwd_o07 naa= 3 ULMN 3 3qwd_o08 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 # 1 I 98 SER A 105 SER^? 14.75 O1 SO4 A 243 I 123 HIS A 106 HIS^? 13.08 O1 SO4 A 243 I 172 ASP A 157 ASP~? 15.53 O1 SO4 A 243 coo 129.29 63.53 77.27 127.98 61.40 77.00 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo 129.99 65.24 70.73 129.03 64.19 69.22 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo 133.90 66.07 67.39 133.05 64.19 67.15 27.16 -9.86 -2.28 29.16 -10.33 -2.80 ULMN 3 3qwd_o08 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 2 3 # 2 I 98 SER B 105 SER^? 14.66 O3 SO4 B 243 I 123 HIS B 102 HIS^? 13.40 O3 SO4 B 243 I 172 ASP B 162 ASP.? 11.47 O3 SO4 B 243 coo 129.29 63.53 77.27 127.98 61.40 77.00 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 129.99 65.24 70.73 129.03 64.19 69.22 -4.13 35.26 6.99 -5.90 36.34 6.69 coo 133.90 66.07 67.39 133.05 64.19 67.15 -2.91 38.69 12.19 -3.85 37.85 10.43 ULMN 3 3qwd_o08 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 3 3 # 3 I 98 SER B 105 SER^? 14.66 O3 SO4 B 243 I 123 HIS B 106 HIS^? 13.01 O3 SO4 B 243 I 172 ASP B 157 ASP~? 15.61 O3 SO4 B 243 coo 129.29 63.53 77.27 127.98 61.40 77.00 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 129.99 65.24 70.73 129.03 64.19 69.22 -11.40 33.04 16.07 -11.74 35.05 16.56 coo 133.90 66.07 67.39 133.05 64.19 67.15 -12.32 32.41 21.01 -13.75 33.02 22.44 ULMN 3 3qwd_o08 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 4 3 # 4 I 98 SER B 239 SER.? 13.78 O3 SO4 A 243 I 123 HIS A 180 HIS^? 16.73 O4 SO4 A 243 I 172 ASP A 218 ASP~? 20.27 O4 SO4 A 243 coo 129.29 63.53 77.27 127.98 61.40 77.00 16.84 9.01 14.32 16.23 6.75 15.02 coo 129.99 65.24 70.73 129.03 64.19 69.22 23.63 8.86 13.89 25.45 9.53 13.13 coo 133.90 66.07 67.39 133.05 64.19 67.15 29.47 11.44 11.56 27.66 12.20 10.67 3qwd_o08 source 3QWD ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT: 4 hits 3qwd_o08 naa= 3 ULMN 3 3qwd_o09 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 # 1 J 98 SER A 105 SER^? 14.75 O1 SO4 A 243 J 123 HIS A 106 HIS^? 13.08 O1 SO4 A 243 J 172 ASP A 157 ASP~? 15.53 O1 SO4 A 243 coo 106.76 47.89 81.70 107.53 45.50 81.44 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo 104.68 49.18 75.33 104.59 47.70 73.89 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo 105.94 52.49 71.50 106.71 50.57 71.17 27.16 -9.86 -2.28 29.16 -10.33 -2.80 ULMN 3 3qwd_o09 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 2 3 # 2 J 98 SER B 105 SER^? 14.66 O3 SO4 B 243 J 123 HIS B 102 HIS^? 13.40 O3 SO4 B 243 J 172 ASP B 162 ASP.? 11.47 O3 SO4 B 243 coo 106.76 47.89 81.70 107.53 45.50 81.44 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 104.68 49.18 75.33 104.59 47.70 73.89 -4.13 35.26 6.99 -5.90 36.34 6.69 coo 105.94 52.49 71.50 106.71 50.57 71.17 -2.91 38.69 12.19 -3.85 37.85 10.43 ULMN 3 3qwd_o09 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 3 3 # 3 J 98 SER B 105 SER^? 14.66 O3 SO4 B 243 J 123 HIS B 106 HIS^? 13.01 O3 SO4 B 243 J 172 ASP B 157 ASP~? 15.61 O3 SO4 B 243 coo 106.76 47.89 81.70 107.53 45.50 81.44 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 104.68 49.18 75.33 104.59 47.70 73.89 -11.40 33.04 16.07 -11.74 35.05 16.56 coo 105.94 52.49 71.50 106.71 50.57 71.17 -12.32 32.41 21.01 -13.75 33.02 22.44 ULMN 3 3qwd_o09 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 4 3 # 4 J 98 SER B 239 SER.? 13.78 O3 SO4 A 243 J 123 HIS A 180 HIS^? 16.73 O4 SO4 A 243 J 172 ASP A 218 ASP~? 20.27 O4 SO4 A 243 coo 106.76 47.89 81.70 107.53 45.50 81.44 16.84 9.01 14.32 16.23 6.75 15.02 coo 104.68 49.18 75.33 104.59 47.70 73.89 23.63 8.86 13.89 25.45 9.53 13.13 coo 105.94 52.49 71.50 106.71 50.57 71.17 29.47 11.44 11.56 27.66 12.20 10.67 3qwd_o09 source 3QWD ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT: 4 hits 3qwd_o09 naa= 3 ULMN 3 3qwd_o10 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 # 1 K 98 SER A 105 SER^? 14.75 O1 SO4 A 243 K 123 HIS A 102 HIS^? 13.43 O1 SO4 A 243 K 172 ASP A 162 ASP.? 11.51 O1 SO4 A 243 coo 105.44 20.79 88.82 107.67 19.79 88.18 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo 101.74 19.42 83.14 102.50 18.27 81.61 10.89 -12.56 -1.72 11.39 -13.56 -3.50 coo 99.17 22.17 79.49 101.04 21.51 78.80 14.78 -15.75 1.96 14.18 -15.13 0.01 ULMN 3 3qwd_o10 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 2 3 # 2 K 98 SER A 105 SER^? 14.75 O1 SO4 A 243 K 123 HIS A 106 HIS^? 13.08 O1 SO4 A 243 K 172 ASP A 157 ASP~? 15.53 O1 SO4 A 243 coo 105.44 20.79 88.82 107.67 19.79 88.18 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo 101.74 19.42 83.14 102.50 18.27 81.61 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo 99.17 22.17 79.49 101.04 21.51 78.80 27.16 -9.86 -2.28 29.16 -10.33 -2.80 ULMN 3 3qwd_o10 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 3 3 # 3 K 98 SER B 105 SER^? 14.66 O3 SO4 B 243 K 123 HIS B 102 HIS^? 13.40 O3 SO4 B 243 K 172 ASP B 162 ASP.? 11.47 O3 SO4 B 243 coo 105.44 20.79 88.82 107.67 19.79 88.18 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 101.74 19.42 83.14 102.50 18.27 81.61 -4.13 35.26 6.99 -5.90 36.34 6.69 coo 99.17 22.17 79.49 101.04 21.51 78.80 -2.91 38.69 12.19 -3.85 37.85 10.43 ULMN 3 3qwd_o10 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 4 3 # 4 K 98 SER B 105 SER^? 14.66 O3 SO4 B 243 K 123 HIS B 106 HIS^? 13.01 O3 SO4 B 243 K 172 ASP B 157 ASP~? 15.61 O3 SO4 B 243 coo 105.44 20.79 88.82 107.67 19.79 88.18 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 101.74 19.42 83.14 102.50 18.27 81.61 -11.40 33.04 16.07 -11.74 35.05 16.56 coo 99.17 22.17 79.49 101.04 21.51 78.80 -12.32 32.41 21.01 -13.75 33.02 22.44 ULMN 3 3qwd_o10 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 5 3 # 5 K 98 SER B 239 SER.? 13.78 O3 SO4 A 243 K 123 HIS A 180 HIS^? 16.73 O4 SO4 A 243 K 172 ASP A 218 ASP~? 20.27 O4 SO4 A 243 coo 105.44 20.79 88.82 107.67 19.79 88.18 16.84 9.01 14.32 16.23 6.75 15.02 coo 101.74 19.42 83.14 102.50 18.27 81.61 23.63 8.86 13.89 25.45 9.53 13.13 coo 99.17 22.17 79.49 101.04 21.51 78.80 29.47 11.44 11.56 27.66 12.20 10.67 3qwd_o10 source 3QWD ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT: 5 hits 3qwd_o10 naa= 3 ULMN 3 3qwd_o11 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 # 1 L 98 SER A 105 SER^? 14.75 O1 SO4 A 243 L 123 HIS A 106 HIS^? 13.08 O1 SO4 A 243 L 172 ASP A 157 ASP~? 15.53 O1 SO4 A 243 coo 126.72 3.21 92.89 128.70 4.33 91.79 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo 124.38 -0.64 87.74 125.44 -0.88 85.98 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo 120.03 -1.09 84.87 121.54 -0.11 83.83 27.16 -9.86 -2.28 29.16 -10.33 -2.80 ULMN 3 3qwd_o11 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 2 3 # 2 L 98 SER B 105 SER^? 14.66 O3 SO4 B 243 L 123 HIS B 102 HIS^? 13.40 O3 SO4 B 243 L 172 ASP B 162 ASP.? 11.47 O3 SO4 B 243 coo 126.72 3.21 92.89 128.70 4.33 91.79 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 124.38 -0.64 87.74 125.44 -0.88 85.98 -4.13 35.26 6.99 -5.90 36.34 6.69 coo 120.03 -1.09 84.87 121.54 -0.11 83.83 -2.91 38.69 12.19 -3.85 37.85 10.43 ULMN 3 3qwd_o11 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 3 3 # 3 L 98 SER B 105 SER^? 14.66 O3 SO4 B 243 L 123 HIS B 106 HIS^? 13.01 O3 SO4 B 243 L 172 ASP B 157 ASP~? 15.61 O3 SO4 B 243 coo 126.72 3.21 92.89 128.70 4.33 91.79 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 124.38 -0.64 87.74 125.44 -0.88 85.98 -11.40 33.04 16.07 -11.74 35.05 16.56 coo 120.03 -1.09 84.87 121.54 -0.11 83.83 -12.32 32.41 21.01 -13.75 33.02 22.44 ULMN 3 3qwd_o11 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 4 3 # 4 L 98 SER B 239 SER.? 13.78 O3 SO4 A 243 L 123 HIS A 180 HIS^? 16.73 O4 SO4 A 243 L 172 ASP A 218 ASP~? 20.27 O4 SO4 A 243 coo 126.72 3.21 92.89 128.70 4.33 91.79 16.84 9.01 14.32 16.23 6.75 15.02 coo 124.38 -0.64 87.74 125.44 -0.88 85.98 23.63 8.86 13.89 25.45 9.53 13.13 coo 120.03 -1.09 84.87 121.54 -0.11 83.83 29.47 11.44 11.56 27.66 12.20 10.67 3qwd_o11 source 3QWD ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT: 4 hits 3qwd_o11 naa= 3 ULMN 3 3qwd_o12 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 # 1 M 98 SER A 105 SER^? 14.75 O1 SO4 A 243 M 123 HIS A 102 HIS^? 13.43 O1 SO4 A 243 M 172 ASP A 162 ASP.? 11.51 O1 SO4 A 243 coo 154.12 8.07 91.14 154.40 10.16 89.78 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo 154.65 3.37 86.18 155.13 3.88 84.24 10.89 -12.56 -1.72 11.39 -13.56 -3.50 coo 151.68 -0.46 84.21 151.70 1.23 82.98 14.78 -15.75 1.96 14.18 -15.13 0.01 ULMN 3 3qwd_o12 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 2 3 # 2 M 98 SER A 105 SER^? 14.75 O1 SO4 A 243 M 123 HIS A 106 HIS^? 13.08 O1 SO4 A 243 M 172 ASP A 157 ASP~? 15.53 O1 SO4 A 243 coo 154.12 8.07 91.14 154.40 10.16 89.78 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo 154.65 3.37 86.18 155.13 3.88 84.24 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo 151.68 -0.46 84.21 151.70 1.23 82.98 27.16 -9.86 -2.28 29.16 -10.33 -2.80 ULMN 3 3qwd_o12 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 3 3 # 3 M 98 SER B 105 SER^? 14.66 O3 SO4 B 243 M 123 HIS B 102 HIS^? 13.40 O3 SO4 B 243 M 172 ASP B 162 ASP.? 11.47 O3 SO4 B 243 coo 154.12 8.07 91.14 154.40 10.16 89.78 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 154.65 3.37 86.18 155.13 3.88 84.24 -4.13 35.26 6.99 -5.90 36.34 6.69 coo 151.68 -0.46 84.21 151.70 1.23 82.98 -2.91 38.69 12.19 -3.85 37.85 10.43 ULMN 3 3qwd_o12 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 4 3 # 4 M 98 SER B 105 SER^? 14.66 O3 SO4 B 243 M 123 HIS B 106 HIS^? 13.01 O3 SO4 B 243 M 172 ASP B 157 ASP~? 15.61 O3 SO4 B 243 coo 154.12 8.07 91.14 154.40 10.16 89.78 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 154.65 3.37 86.18 155.13 3.88 84.24 -11.40 33.04 16.07 -11.74 35.05 16.56 coo 151.68 -0.46 84.21 151.70 1.23 82.98 -12.32 32.41 21.01 -13.75 33.02 22.44 ULMN 3 3qwd_o12 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 5 3 # 5 M 98 SER B 239 SER.? 13.78 O3 SO4 A 243 M 123 HIS A 180 HIS^? 16.73 O4 SO4 A 243 M 172 ASP A 218 ASP~? 20.27 O4 SO4 A 243 coo 154.12 8.07 91.14 154.40 10.16 89.78 16.84 9.01 14.32 16.23 6.75 15.02 coo 154.65 3.37 86.18 155.13 3.88 84.24 23.63 8.86 13.89 25.45 9.53 13.13 coo 151.68 -0.46 84.21 151.70 1.23 82.98 29.47 11.44 11.56 27.66 12.20 10.67 3qwd_o12 source 3QWD ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT: 5 hits 3qwd_o12 naa= 3 ULMN 3 3qwd_o13 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 # 1 N 98 SER A 105 SER^? 14.75 O1 SO4 A 243 N 123 HIS A 106 HIS^? 13.08 O1 SO4 A 243 N 172 ASP A 157 ASP~? 15.53 O1 SO4 A 243 coo 167.14 31.88 84.83 165.46 33.38 83.69 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo 170.00 29.01 79.37 169.53 29.60 77.44 22.50 -10.50 -3.88 23.13 -12.51 -3.91 coo 170.55 24.16 77.55 169.03 25.18 76.56 27.16 -9.86 -2.28 29.16 -10.33 -2.80 ULMN 3 3qwd_o13 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 2 3 # 2 N 98 SER B 105 SER^? 14.66 O3 SO4 B 243 N 123 HIS B 102 HIS^? 13.40 O3 SO4 B 243 N 172 ASP B 162 ASP.? 11.47 O3 SO4 B 243 coo 167.14 31.88 84.83 165.46 33.38 83.69 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 170.00 29.01 79.37 169.53 29.60 77.44 -4.13 35.26 6.99 -5.90 36.34 6.69 coo 170.55 24.16 77.55 169.03 25.18 76.56 -2.91 38.69 12.19 -3.85 37.85 10.43 ULMN 3 3qwd_o13 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 3 3 # 3 N 98 SER B 105 SER^? 14.66 O3 SO4 B 243 N 123 HIS B 106 HIS^? 13.01 O3 SO4 B 243 N 172 ASP B 157 ASP~? 15.61 O3 SO4 B 243 coo 167.14 31.88 84.83 165.46 33.38 83.69 -11.13 32.24 11.11 -11.87 30.19 10.06 coo 170.00 29.01 79.37 169.53 29.60 77.44 -11.40 33.04 16.07 -11.74 35.05 16.56 coo 170.55 24.16 77.55 169.03 25.18 76.56 -12.32 32.41 21.01 -13.75 33.02 22.44 ULMN 3 3qwd_o13 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 4 3 # 4 N 98 SER B 239 SER.? 13.78 O3 SO4 A 243 N 123 HIS A 180 HIS^? 16.73 O4 SO4 A 243 N 172 ASP A 218 ASP~? 20.27 O4 SO4 A 243 coo 167.14 31.88 84.83 165.46 33.38 83.69 16.84 9.01 14.32 16.23 6.75 15.02 coo 170.00 29.01 79.37 169.53 29.60 77.44 23.63 8.86 13.89 25.45 9.53 13.13 coo 170.55 24.16 77.55 169.03 25.18 76.56 29.47 11.44 11.56 27.66 12.20 10.67 3qwd_o13 source 3QWD ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT: 4 hits 3qwd_o13 naa= 3 ULMN 3 3tu8_o00 BURKHOLDERIA LETHAL FACTOR 1 (BLF1) user 1 3 # 1 A 88 THR A 230 THR.? 22.77 O3 SO4 A 243 A 94 CYH A 200 CYH.? 21.90 O3 SO4 A 243 A 106 HIS A 229 HIS^? 22.39 O3 SO4 A 243 coo 29.73 -7.52 13.32 29.45 -5.70 12.17 0.21 5.74 -0.13 0.26 7.49 -1.40 coo 31.46 -1.21 4.47 31.00 -3.95 4.28 -0.03 -1.22 -8.06 2.13 0.46 -7.36 coo 27.96 -4.35 8.55 29.78 -5.07 7.70 -0.05 2.05 -3.08 -1.62 2.78 -4.27 ULMN 3 3tu8_o00 BURKHOLDERIA LETHAL FACTOR 1 (BLF1) user 2 3 # 2 A 88 THR B 230 THR.? 23.10 O1 SO4 B 243 A 94 CYH B 200 CYH.? 22.22 O1 SO4 B 243 A 106 HIS B 229 HIS^? 22.78 O1 SO4 B 243 coo 29.73 -7.52 13.32 29.45 -5.70 12.17 2.70 16.87 -1.57 1.49 15.14 -2.13 coo 31.46 -1.21 4.47 31.00 -3.95 4.28 -4.23 23.83 -5.59 -4.70 22.08 -3.39 coo 27.96 -4.35 8.55 29.78 -5.07 7.70 0.17 20.57 -3.28 -0.12 19.82 -5.21 3tu8_o00 source 3TU8 BURKHOLDERIA LETHAL FACTOR 1 (BLF1) : 2 hits 3tu8_o00 naa= 3 ULMN 3 3zwq_o00 ALPHA/BETA HYDROLASE FOLD-3 DOMAIN Puser 1 3 # 1 A 157 SER A 105 SER^? 14.75 O1 SO4 A 243 A 254 ASP A 157 ASP~? 15.53 O1 SO4 A 243 A 284 HIS A 106 HIS^? 13.08 O1 SO4 A 243 coo -20.09 -13.76 4.99 -18.56 -11.94 4.87 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo -21.52 -7.55 12.04 -21.23 -8.42 10.14 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo -18.29 -9.68 9.15 -18.87 -10.69 7.41 22.50 -10.50 -3.88 23.13 -12.51 -3.91 ULMN 3 3zwq_o00 ALPHA/BETA HYDROLASE FOLD-3 DOMAIN Puser 2 3 # 2 A 157 SER B 105 SER^? 14.66 O3 SO4 B 243 A 254 ASP B 157 ASP~? 15.61 O3 SO4 B 243 A 284 HIS B 106 HIS^? 13.01 O3 SO4 B 243 coo -20.09 -13.76 4.99 -18.56 -11.94 4.87 -11.13 32.24 11.11 -11.87 30.19 10.06 coo -21.52 -7.55 12.04 -21.23 -8.42 10.14 -12.32 32.41 21.01 -13.75 33.02 22.44 coo -18.29 -9.68 9.15 -18.87 -10.69 7.41 -11.40 33.04 16.07 -11.74 35.05 16.56 3zwq_o00 source 3ZWQ ALPHA/BETA HYDROLASE FOLD-3 DOMAIN PROTEIN : 2 hits 3zwq_o00 naa= 3 ULMN 3 3zwq_o01 ALPHA/BETA HYDROLASE FOLD-3 DOMAIN Puser 1 3 # 1 B 157 SER A 105 SER^? 14.75 O1 SO4 A 243 B 254 ASP A 157 ASP~? 15.53 O1 SO4 A 243 B 284 HIS A 106 HIS^? 13.08 O1 SO4 A 243 coo -37.32 -16.63 33.25 -39.45 -15.48 33.60 17.97 -9.58 -6.03 17.57 -7.57 -7.37 coo -37.64 -10.09 26.32 -37.69 -11.02 28.21 27.16 -9.86 -2.28 29.16 -10.33 -2.80 coo -40.12 -13.34 29.11 -39.19 -14.07 30.85 22.50 -10.50 -3.88 23.13 -12.51 -3.91 ULMN 3 3zwq_o01 ALPHA/BETA HYDROLASE FOLD-3 DOMAIN Puser 2 3 # 2 B 157 SER B 105 SER^? 14.66 O3 SO4 B 243 B 254 ASP B 157 ASP~? 15.61 O3 SO4 B 243 B 284 HIS B 106 HIS^? 13.01 O3 SO4 B 243 coo -37.32 -16.63 33.25 -39.45 -15.48 33.60 -11.13 32.24 11.11 -11.87 30.19 10.06 coo -37.64 -10.09 26.32 -37.69 -11.02 28.21 -12.32 32.41 21.01 -13.75 33.02 22.44 coo -40.12 -13.34 29.11 -39.19 -14.07 30.85 -11.40 33.04 16.07 -11.74 35.05 16.56 3zwq_o01 source 3ZWQ ALPHA/BETA HYDROLASE FOLD-3 DOMAIN PROTEIN : 2 hits 3zwq_o01 naa= 3