*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMN 3 2wwt_o00 INTRACELLULAR SUBTILISIN PROTEASE user 1 3 # 1 A 49 ASP A 208 ASP^? 7.66 O1 SO4 A 230 A 86 HIS A 210 HIS^? 9.95 O1 SO4 A 230 A 250 ALA A 214 ALA^? 7.16 O1 SO4 A 230 coo 18.89 -28.09 25.11 19.05 -26.61 23.60 -15.69 43.98 89.75 -16.79 45.74 90.29 coo 21.50 -24.76 21.11 19.82 -23.58 21.50 -16.02 49.92 93.97 -17.27 50.59 95.51 coo 16.40 -19.57 19.82 17.00 -20.87 19.22 -14.84 46.79 99.08 -16.31 46.97 98.48 ULMN 3 2wwt_o00 INTRACELLULAR SUBTILISIN PROTEASE user 2 3 # 2 A 49 ASP B 120 ASP^? 8.68 O3 SO4 B 229 A 86 HIS B 97 HIS^? 12.49 O3 SO4 B 229 A 250 ALA B 185 ALA^? 10.94 O1 SO4 B 229 coo 18.89 -28.09 25.11 19.05 -26.61 23.60 -4.32 17.92 112.37 -3.28 16.49 113.53 coo 21.50 -24.76 21.11 19.82 -23.58 21.50 -3.31 12.76 116.75 -2.66 14.35 115.55 coo 16.40 -19.57 19.82 17.00 -20.87 19.22 0.02 10.85 109.56 -1.39 10.88 110.17 ULMN 3 2wwt_o00 INTRACELLULAR SUBTILISIN PROTEASE user 3 3 # 3 A 49 ASP B 208 ASP^? 25.58 O1 SO4 B 229 A 86 HIS B 210 HIS^? 25.92 O1 SO4 B 229 A 250 ALA B 214 ALA^? 24.06 O1 SO4 B 229 coo 18.89 -28.09 25.11 19.05 -26.61 23.60 22.68 13.69 106.98 23.40 15.21 108.39 coo 21.50 -24.76 21.11 19.82 -23.58 21.50 21.10 10.94 112.67 20.59 9.01 113.37 coo 16.40 -19.57 19.82 17.00 -20.87 19.22 17.92 17.53 115.89 19.42 17.18 116.11 2wwt_o00 source 2WWT INTRACELLULAR SUBTILISIN PROTEASE : 3 hits 2wwt_o00 naa= 3 ULMN 3 3uao_o00 PUTATIVE ISOCHORISMATASE user 1 3 # 1 A 29 ASP A 154 ASP^? 25.59 O1 SO4 A 229 A 117 LYS A 150 LYS^? 27.89 O1 SO4 A 229 A 150 CYH A 101 CYH^? 24.07 O4 SO4 A 229 coo 37.97 47.82 5.46 38.65 48.02 7.40 22.41 56.72 112.09 24.50 56.74 112.55 coo 41.02 51.33 13.36 40.18 47.06 9.99 22.85 50.51 120.58 24.66 47.59 122.80 coo 39.17 42.30 8.54 40.94 44.26 7.78 16.31 57.21 114.20 15.99 59.89 113.39 ULMN 3 3uao_o00 PUTATIVE ISOCHORISMATASE user 2 3 # 2 A 29 ASP B 154 ASP^? 28.34 O3 SO4 B 229 A 117 LYS B 150 LYS^? 31.23 O3 SO4 B 229 A 150 CYH B 101 CYH^? 26.55 O3 SO4 B 229 coo 37.97 47.82 5.46 38.65 48.02 7.40 -19.38 9.09 123.27 -21.52 8.99 123.42 coo 41.02 51.33 13.36 40.18 47.06 9.99 -21.61 16.08 130.79 -22.65 22.25 130.12 coo 39.17 42.30 8.54 40.94 44.26 7.78 -13.61 9.02 126.06 -13.33 6.29 125.42 3uao_o00 source 3UAO PUTATIVE ISOCHORISMATASE : 2 hits 3uao_o00 naa= 3 ULMN 4 1afr_c00 DELTA9 STEAROYL-ACYL CARRIER PROTEINuser 1 4 # 1 A 62 TRP B 158 TRP^? 14.65 O3 SO4 B 229 A 146 HIS B 97 HIS^? 12.49 O3 SO4 B 229 A 199 THR B 186 THR^? 14.05 O1 SO4 B 229 A 228 ASP B 120 ASP^? 8.68 O3 SO4 B 229 coo 77.64 21.47 18.55 73.91 20.17 18.30 -7.85 17.75 119.22 -5.68 20.50 121.02 coo 70.18 23.00 15.52 71.81 24.25 15.30 -3.31 12.76 116.75 -2.66 14.35 115.55 coo 66.52 31.57 16.98 66.93 30.64 15.07 2.86 11.86 111.91 2.91 10.46 113.59 coo 74.79 26.03 15.65 75.92 24.34 16.17 -4.32 17.92 112.37 -3.28 16.49 113.53 1afr_c00 source 1afr DELTA9 STEAROYL-ACYL CARRIER PROTEIN DESATURAS: 1 hits 1afr_c00 naa= 4 ULMN 4 1afr_c01 DELTA9 STEAROYL-ACYL CARRIER PROTEINuser 1 4 # 1 B 62 TRP B 158 TRP^? 14.65 O3 SO4 B 229 B 146 HIS B 97 HIS^? 12.49 O3 SO4 B 229 B 199 THR B 186 THR^? 14.05 O1 SO4 B 229 B 228 ASP B 120 ASP^? 8.68 O3 SO4 B 229 coo -2.64 21.65 37.59 1.04 20.26 37.88 -7.85 17.75 119.22 -5.68 20.50 121.02 coo 4.82 23.00 40.76 3.21 24.27 41.00 -3.31 12.76 116.75 -2.66 14.35 115.55 coo 8.69 31.54 39.41 8.20 30.62 41.34 2.86 11.86 111.91 2.91 10.46 113.59 coo 0.25 26.19 40.56 -0.84 24.52 39.90 -4.32 17.92 112.37 -3.28 16.49 113.53 1afr_c01 source 1afr DELTA9 STEAROYL-ACYL CARRIER PROTEIN DESATURAS: 1 hits 1afr_c01 naa= 4 ULMN 4 1afr_c02 DELTA9 STEAROYL-ACYL CARRIER PROTEINuser 1 4 # 1 C 62 TRP B 158 TRP^? 14.65 O3 SO4 B 229 C 146 HIS B 97 HIS^? 12.49 O3 SO4 B 229 C 199 THR B 186 THR^? 14.05 O1 SO4 B 229 C 228 ASP B 120 ASP^? 8.68 O3 SO4 B 229 coo 22.52 4.52 47.59 18.83 5.44 46.52 -7.85 17.75 119.22 -5.68 20.50 121.02 coo 15.00 6.47 50.32 16.60 6.05 51.54 -3.31 12.76 116.75 -2.66 14.35 115.55 coo 11.14 0.99 56.99 11.63 3.07 57.18 2.86 11.86 111.91 2.91 10.46 113.59 coo 19.57 4.72 52.93 20.72 5.06 51.18 -4.32 17.92 112.37 -3.28 16.49 113.53 1afr_c02 source 1afr DELTA9 STEAROYL-ACYL CARRIER PROTEIN DESATURAS: 1 hits 1afr_c02 naa= 4 ULMN 4 1afr_c03 DELTA9 STEAROYL-ACYL CARRIER PROTEINuser 1 4 # 1 D 62 TRP B 158 TRP^? 14.65 O3 SO4 B 229 D 146 HIS B 97 HIS^? 12.49 O3 SO4 B 229 D 199 THR B 186 THR^? 14.05 O1 SO4 B 229 D 228 ASP B 120 ASP^? 8.68 O3 SO4 B 229 coo 24.83 -11.77 38.13 28.49 -11.33 36.77 -7.85 17.75 119.22 -5.68 20.50 121.02 coo 32.29 -15.21 37.74 30.69 -16.02 38.78 -3.31 12.76 116.75 -2.66 14.35 115.55 coo 36.16 -18.27 45.82 35.68 -19.43 44.09 2.86 11.86 111.91 2.91 10.46 113.59 coo 27.73 -16.59 40.57 26.60 -15.18 39.45 -4.32 17.92 112.37 -3.28 16.49 113.53 1afr_c03 source 1afr DELTA9 STEAROYL-ACYL CARRIER PROTEIN DESATURAS: 1 hits 1afr_c03 naa= 4 ULMN 4 1afr_c04 DELTA9 STEAROYL-ACYL CARRIER PROTEINuser 1 4 # 1 E 62 TRP B 158 TRP^? 14.65 O3 SO4 B 229 E 146 HIS B 97 HIS^? 12.49 O3 SO4 B 229 E 199 THR B 186 THR^? 14.05 O1 SO4 B 229 E 228 ASP B 120 ASP^? 8.68 O3 SO4 B 229 coo 50.00 -11.90 18.27 46.31 -11.41 19.57 -7.85 17.75 119.22 -5.68 20.50 121.02 coo 42.50 -15.23 18.57 44.10 -16.07 17.59 -3.31 12.76 116.75 -2.66 14.35 115.55 coo 38.60 -18.26 10.51 39.04 -19.44 12.23 2.86 11.86 111.91 2.91 10.46 113.59 coo 47.08 -16.65 15.79 48.20 -15.23 16.89 -4.32 17.92 112.37 -3.28 16.49 113.53 1afr_c04 source 1afr DELTA9 STEAROYL-ACYL CARRIER PROTEIN DESATURAS: 1 hits 1afr_c04 naa= 4 ULMN 4 1afr_c05 DELTA9 STEAROYL-ACYL CARRIER PROTEINuser 1 4 # 1 F 62 TRP B 158 TRP^? 14.65 O3 SO4 B 229 F 146 HIS B 97 HIS^? 12.49 O3 SO4 B 229 F 199 THR B 186 THR^? 14.05 O1 SO4 B 229 F 228 ASP B 120 ASP^? 8.68 O3 SO4 B 229 coo 52.11 4.76 8.90 55.80 5.74 9.91 -7.85 17.75 119.22 -5.68 20.50 121.02 coo 59.55 6.66 6.08 57.93 6.32 4.86 -3.31 12.76 116.75 -2.66 14.35 115.55 coo 63.26 1.13 -0.66 62.75 3.21 -0.78 2.86 11.86 111.91 2.91 10.46 113.59 coo 54.97 4.95 3.54 53.81 5.35 5.27 -4.32 17.92 112.37 -3.28 16.49 113.53 1afr_c05 source 1afr DELTA9 STEAROYL-ACYL CARRIER PROTEIN DESATURAS: 1 hits 1afr_c05 naa= 4 ULMN 4 1am5_c05 PEPSIN user 1 4 # 1 32 ASP B 115 ASP^? 13.85 O3 SO4 B 229 35 SER B 140 SER^? 18.74 O3 SO4 B 229 75 TYR B 141 TYR^? 18.84 O3 SO4 B 229 215 ASP B 138 ASP^? 17.24 O3 SO4 B 229 coo -7.18 8.92 145.10 -8.77 8.81 143.59 -12.10 21.41 116.25 -11.91 23.51 116.16 coo -12.30 10.35 145.24 -10.75 8.55 145.88 -13.55 22.77 120.12 -12.47 24.15 121.85 coo -13.30 2.78 144.49 -12.77 1.96 147.02 -9.09 19.42 122.99 -7.89 17.76 124.89 coo -8.20 12.64 138.30 -8.86 10.97 139.38 -19.34 21.74 114.74 -17.84 23.07 113.94 1am5_c05 source 1am5 PEPSIN : 1 hits 1am5_c05 naa= 4 ULMN 4 1azy_c02 THYMIDINE PHOSPHORYLASE user 1 4 # 1 A 85 HIS A 215 HIS^? -3.69 O3 SO4 A 230s A 171 ARG B 49 ARG^? -5.45 O4 SO4 B 229s A 186 SER A 227 SER^? 9.64 O2 SO4 A 230 A 190 LYS A 35 LYS^? 11.43 O2 SO4 A 230 coo 22.59 2.26 43.22 21.17 3.47 42.27 -13.92 40.67 99.66 -13.69 38.69 100.32 coo 13.63 3.81 28.83 14.49 2.91 31.59 -5.59 26.20 104.46 -4.44 26.24 107.34 coo 20.12 3.47 33.72 18.17 4.65 34.48 -11.19 33.23 102.79 -12.58 31.68 101.59 coo 24.97 7.47 37.69 21.24 10.69 35.89 -9.76 35.16 95.20 -10.16 29.64 98.57 ULMN 4 1azy_c02 THYMIDINE PHOSPHORYLASE user 2 4 # 2 A 85 HIS B 97 HIS^? 12.49 O3 SO4 B 229 A 171 ARG B 49 ARG^? -5.45 O4 SO4 B 229s A 186 SER B 118 SER^? 9.02 O3 SO4 B 229 A 190 LYS B 122 LYS^? 11.60 O2 SO4 B 229 coo 22.59 2.26 43.22 21.17 3.47 42.27 -3.31 12.76 116.75 -2.66 14.35 115.55 coo 13.63 3.81 28.83 14.49 2.91 31.59 -5.59 26.20 104.46 -4.44 26.24 107.34 coo 20.12 3.47 33.72 18.17 4.65 34.48 -8.83 21.42 112.28 -7.48 20.01 113.71 coo 24.97 7.47 37.69 21.24 10.69 35.89 -10.43 15.56 110.86 -13.65 15.21 106.31 ULMN 4 1azy_c02 THYMIDINE PHOSPHORYLASE user 3 4 # 3 A 85 HIS B 215 HIS^? 20.82 O1 SO4 B 229 A 171 ARG A 49 ARG^? -7.08 O1 SO4 A 229s A 186 SER B 227 SER^? 13.75 O1 SO4 A 229 A 190 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo 22.59 2.26 43.22 21.17 3.47 42.27 17.61 22.77 112.56 17.48 24.80 112.05 coo 13.63 3.81 28.83 14.49 2.91 31.59 10.25 36.07 104.69 11.36 37.50 107.24 coo 20.12 3.47 33.72 18.17 4.65 34.48 14.71 30.25 109.72 16.59 31.22 108.47 coo 24.97 7.47 37.69 21.24 10.69 35.89 16.47 24.53 104.57 15.75 30.78 103.34 1azy_c02 source 1azy THYMIDINE PHOSPHORYLASE : 3 hits 1azy_c02 naa= 4 ULMN 4 1azy_c03 THYMIDINE PHOSPHORYLASE user 1 4 # 1 B 85 HIS A 215 HIS^? -3.69 O3 SO4 A 230s B 171 ARG B 49 ARG^? -5.45 O4 SO4 B 229s B 186 SER A 227 SER^? 9.64 O2 SO4 A 230 B 190 LYS A 35 LYS^? 11.43 O2 SO4 A 230 coo -6.44 4.86 -3.45 -5.03 5.97 -2.36 -13.92 40.67 99.66 -13.69 38.69 100.32 coo 2.83 4.83 10.84 1.96 4.32 7.97 -5.59 26.20 104.46 -4.44 26.24 107.34 coo -3.75 4.78 6.07 -1.88 6.19 5.48 -11.19 33.23 102.79 -12.58 31.68 101.59 coo -8.96 9.04 2.88 -5.39 12.11 5.08 -9.76 35.16 95.20 -10.16 29.64 98.57 ULMN 4 1azy_c03 THYMIDINE PHOSPHORYLASE user 2 4 # 2 B 85 HIS B 97 HIS^? 12.49 O3 SO4 B 229 B 171 ARG B 49 ARG^? -5.45 O4 SO4 B 229s B 186 SER B 118 SER^? 9.02 O3 SO4 B 229 B 190 LYS B 122 LYS^? 11.60 O2 SO4 B 229 coo -6.44 4.86 -3.45 -5.03 5.97 -2.36 -3.31 12.76 116.75 -2.66 14.35 115.55 coo 2.83 4.83 10.84 1.96 4.32 7.97 -5.59 26.20 104.46 -4.44 26.24 107.34 coo -3.75 4.78 6.07 -1.88 6.19 5.48 -8.83 21.42 112.28 -7.48 20.01 113.71 coo -8.96 9.04 2.88 -5.39 12.11 5.08 -10.43 15.56 110.86 -13.65 15.21 106.31 ULMN 4 1azy_c03 THYMIDINE PHOSPHORYLASE user 3 4 # 3 B 85 HIS B 215 HIS^? 20.82 O1 SO4 B 229 B 171 ARG A 49 ARG^? -7.08 O1 SO4 A 229s B 186 SER B 227 SER^? 13.75 O1 SO4 A 229 B 190 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo -6.44 4.86 -3.45 -5.03 5.97 -2.36 17.61 22.77 112.56 17.48 24.80 112.05 coo 2.83 4.83 10.84 1.96 4.32 7.97 10.25 36.07 104.69 11.36 37.50 107.24 coo -3.75 4.78 6.07 -1.88 6.19 5.48 14.71 30.25 109.72 16.59 31.22 108.47 coo -8.96 9.04 2.88 -5.39 12.11 5.08 16.47 24.53 104.57 15.75 30.78 103.34 1azy_c03 source 1azy THYMIDINE PHOSPHORYLASE : 3 hits 1azy_c03 naa= 4 ULMN 4 1brw_c02 PYRIMIDINE NUCLEOSIDE PHOSPHORYLASE user 1 4 # 1 A 82 HIS A 215 HIS^? -3.69 O3 SO4 A 230s A 168 ARG B 49 ARG^? -5.45 O4 SO4 B 229s A 183 SER A 227 SER^? 9.64 O2 SO4 A 230 A 187 LYS A 35 LYS^? 11.43 O2 SO4 A 230 coo 62.47 12.00 59.65 61.76 10.14 60.31 -13.92 40.67 99.66 -13.69 38.69 100.32 coo 55.10 8.37 73.00 55.48 9.59 70.20 -5.59 26.20 104.46 -4.44 26.24 107.34 coo 60.93 11.37 69.20 59.71 9.45 68.35 -11.19 33.23 102.79 -12.58 31.68 101.59 coo 66.76 10.09 66.23 61.80 8.06 65.82 -9.76 35.16 95.20 -10.16 29.64 98.57 ULMN 4 1brw_c02 PYRIMIDINE NUCLEOSIDE PHOSPHORYLASE user 2 4 # 2 A 82 HIS B 97 HIS^? 12.49 O3 SO4 B 229 A 168 ARG B 117 ARG^? 15.21 O3 SO4 B 229 A 183 SER B 118 SER^? 9.02 O3 SO4 B 229 A 187 LYS B 122 LYS^? 11.60 O2 SO4 B 229 coo 62.47 12.00 59.65 61.76 10.14 60.31 -3.31 12.76 116.75 -2.66 14.35 115.55 coo 55.10 8.37 73.00 55.48 9.59 70.20 -11.94 27.43 114.35 -11.31 26.82 117.30 coo 60.93 11.37 69.20 59.71 9.45 68.35 -8.83 21.42 112.28 -7.48 20.01 113.71 coo 66.76 10.09 66.23 61.80 8.06 65.82 -10.43 15.56 110.86 -13.65 15.21 106.31 ULMN 4 1brw_c02 PYRIMIDINE NUCLEOSIDE PHOSPHORYLASE user 3 4 # 3 A 82 HIS B 215 HIS^? 20.82 O1 SO4 B 229 A 168 ARG A 49 ARG^? -7.08 O1 SO4 A 229s A 183 SER B 227 SER^? 13.75 O1 SO4 A 229 A 187 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo 62.47 12.00 59.65 61.76 10.14 60.31 17.61 22.77 112.56 17.48 24.80 112.05 coo 55.10 8.37 73.00 55.48 9.59 70.20 10.25 36.07 104.69 11.36 37.50 107.24 coo 60.93 11.37 69.20 59.71 9.45 68.35 14.71 30.25 109.72 16.59 31.22 108.47 coo 66.76 10.09 66.23 61.80 8.06 65.82 16.47 24.53 104.57 15.75 30.78 103.34 ULMN 4 1brw_c02 PYRIMIDINE NUCLEOSIDE PHOSPHORYLASE user 4 4 # 4 A 82 HIS B 215 HIS^? 20.82 O1 SO4 B 229 A 168 ARG A 117 ARG^? 9.09 O1 SO4 A 229 A 183 SER B 227 SER^? 13.75 O1 SO4 A 229 A 187 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo 62.47 12.00 59.65 61.76 10.14 60.31 17.61 22.77 112.56 17.48 24.80 112.05 coo 55.10 8.37 73.00 55.48 9.59 70.20 15.20 37.23 104.25 15.70 38.54 107.02 coo 60.93 11.37 69.20 59.71 9.45 68.35 14.71 30.25 109.72 16.59 31.22 108.47 coo 66.76 10.09 66.23 61.80 8.06 65.82 16.47 24.53 104.57 15.75 30.78 103.34 1brw_c02 source 1brw PYRIMIDINE NUCLEOSIDE PHOSPHORYLASE : 4 hits 1brw_c02 naa= 4 ULMN 4 1cqj_c00 SUCCINYL-COA SYNTHETASE BETA CHAIN user 1 4 # 1 A 208 GLU B 143 GLU^? 21.40 O3 SO4 B 229 A 246 HIS B 142 HIS^? 20.91 O3 SO4 B 229 B 109 TYR A 27 TYR^? 6.19 O4 SO4 A 229 B 197 GLU A 28 GLU^? 15.00 O4 SO4 A 229 coo 42.05 62.45 76.31 40.18 63.04 75.45 -16.26 24.40 123.16 -17.08 25.33 121.37 coo 37.14 61.56 73.28 37.00 63.65 73.26 -10.19 23.71 125.79 -8.10 23.78 126.04 coo 50.22 35.25 75.17 48.69 37.57 74.89 -0.27 40.97 103.40 2.22 42.05 102.76 coo 45.03 37.30 75.10 44.89 38.23 76.98 -5.36 37.58 106.38 -6.12 37.04 108.31 1cqj_c00 source 1cqj SUCCINYL-COA SYNTHETASE BETA CHAIN : 1 hits 1cqj_c00 naa= 4 ULMN 4 1cqj_c01 SUCCINYL-COA SYNTHETASE BETA CHAIN user 1 4 # 1 D 208 GLU B 143 GLU^? 21.40 O3 SO4 B 229 D 246 HIS B 142 HIS^? 20.91 O3 SO4 B 229 E 109 TYR A 27 TYR^? 6.19 O4 SO4 A 229 E 197 GLU A 28 GLU^? 15.00 O4 SO4 A 229 coo -2.91 18.30 76.21 -1.08 17.82 77.32 -16.26 24.40 123.16 -17.08 25.33 121.37 coo 2.87 18.34 77.03 2.47 16.92 78.50 -10.19 23.71 125.79 -8.10 23.78 126.04 coo -1.67 35.94 53.83 -0.91 34.37 56.05 -0.27 40.97 103.40 2.22 42.05 102.76 coo 1.76 35.71 58.20 0.46 36.19 59.80 -5.36 37.58 106.38 -6.12 37.04 108.31 1cqj_c01 source 1cqj SUCCINYL-COA SYNTHETASE BETA CHAIN : 1 hits 1cqj_c01 naa= 4 ULMN 4 1dl2_c00 CLASS I ALPHA-1,2-MANNOSIDASE user 1 4 # 1 A 132 GLU B 135 GLU^? 26.24 O2 SO4 B 229 A 136 ARG B 111 ARG^? 27.08 O3 SO4 B 229 A 275 ASP B 115 ASP^? 13.85 O3 SO4 B 229 A 435 GLU B 143 GLU^? 21.40 O3 SO4 B 229 coo -6.23 53.40 -2.33 -7.38 55.09 -1.77 -23.94 13.15 115.56 -25.55 13.68 116.83 coo -4.99 57.22 1.82 -7.93 56.43 2.21 -24.28 12.69 119.80 -25.14 15.67 120.10 coo -12.63 61.87 -10.13 -11.95 60.35 -8.79 -12.10 21.41 116.25 -11.91 23.51 116.16 coo -13.69 65.25 -3.58 -13.46 63.85 -2.01 -16.26 24.40 123.16 -17.08 25.33 121.37 1dl2_c00 source 1dl2 CLASS I ALPHA-1,2-MANNOSIDASE : 1 hits 1dl2_c00 naa= 4 ULMN 4 1hpl_c00 LIPASE (E.C.3.1.1.3) (TRIACYLGLYCEROuser 1 4 # 1 A 77 PHE A 182 PHE^? 17.55 O4 SO4 A 229 A 153 LEU A 183 LEU^? 17.78 O2 SO4 A 229 A 176 ASP A 120 ASP^? 7.17 O2 SO4 A 229 A 263 HIS A 97 HIS^? 10.66 O4 SO4 A 229 coo 49.46 51.93 11.85 50.12 53.23 14.23 8.69 57.42 100.07 11.38 58.23 99.98 coo 48.47 51.01 3.83 49.10 52.90 2.99 2.06 56.81 98.16 0.35 57.54 99.42 coo 40.04 48.33 9.02 39.08 50.19 9.48 9.29 47.78 99.49 7.80 47.36 98.01 coo 43.45 51.20 11.32 44.32 50.94 9.50 7.24 52.04 104.47 6.71 50.18 103.67 1hpl_c00 source 1hpl LIPASE (E.C.3.1.1.3) (TRIACYLGLYCEROL HYDROLAS: 1 hits 1hpl_c00 naa= 4 ULMN 4 1hpl_c01 LIPASE (E.C.3.1.1.3) (TRIACYLGLYCEROuser 1 4 # 1 B 77 PHE A 182 PHE^? 17.55 O4 SO4 A 229 B 153 LEU A 183 LEU^? 17.78 O2 SO4 A 229 B 176 ASP A 120 ASP^? 7.17 O2 SO4 A 229 B 263 HIS A 97 HIS^? 10.66 O4 SO4 A 229 coo 29.53 52.84 46.76 28.82 54.35 44.53 8.69 57.42 100.07 11.38 58.23 99.98 coo 30.35 52.10 54.81 29.94 54.08 55.45 2.06 56.81 98.16 0.35 57.54 99.42 coo 38.97 49.40 49.54 39.78 51.32 48.96 9.29 47.78 99.49 7.80 47.36 98.01 coo 35.23 51.95 47.14 34.55 51.97 49.04 7.24 52.04 104.47 6.71 50.18 103.67 1hpl_c01 source 1hpl LIPASE (E.C.3.1.1.3) (TRIACYLGLYCEROL HYDROLAS: 1 hits 1hpl_c01 naa= 4 ULMN 4 1i8t_c02 UDP-GALACTOPYRANOSE MUTASE user 1 4 # 1 A 170 ARG A 193 ARG^? 10.95 O4 SO4 A 231 A 278 ARG A 70 ARG^? 17.64 O2 SO4 A 229 A 298 GLU A 187 GLU^? 15.53 O2 SO4 A 229 A 348 ASP A 52 ASP^? 8.69 O1 SO4 A 229 coo -23.99 -12.72 0.77 -26.03 -13.46 2.92 5.91 33.86 82.10 3.69 32.12 83.32 coo -18.98 -3.88 -14.05 -18.01 -5.56 -11.69 2.37 50.83 90.43 1.13 53.29 89.13 coo -18.09 -5.55 -18.88 -17.66 -5.99 -16.85 -0.92 50.23 94.11 -1.07 51.49 92.41 coo -11.04 -13.38 -5.15 -13.10 -12.92 -5.14 13.74 39.26 94.65 14.56 41.23 94.45 ULMN 4 1i8t_c02 UDP-GALACTOPYRANOSE MUTASE user 2 4 # 2 A 170 ARG B 136 ARG^? 16.25 O2 SO4 B 229 A 278 ARG B 181 ARG^? 17.91 O2 SO4 B 229 A 298 GLU B 74 GLU^? 16.10 O1 SO4 B 229 A 348 ASP B 120 ASP^? 8.68 O3 SO4 B 229 coo -23.99 -12.72 0.77 -26.03 -13.46 2.92 -18.31 12.65 112.04 -15.83 11.94 110.39 coo -18.98 -3.88 -14.05 -18.01 -5.56 -11.69 -4.90 4.22 106.56 -7.80 3.62 107.30 coo -18.09 -5.55 -18.88 -17.66 -5.99 -16.85 0.29 5.91 102.04 1.64 4.74 100.89 coo -11.04 -13.38 -5.15 -13.10 -12.92 -5.14 -4.32 17.92 112.37 -3.28 16.49 113.53 ULMN 4 1i8t_c02 UDP-GALACTOPYRANOSE MUTASE user 3 4 # 3 A 170 ARG B 193 ARG^? 19.35 O1 SO4 B 229 A 278 ARG B 70 ARG^? 17.55 O1 SO4 B 229 A 298 GLU B 187 GLU^? 15.82 O1 SO4 B 229 A 348 ASP B 52 ASP^? 8.63 O2 SO4 B 229 coo -23.99 -12.72 0.77 -26.03 -13.46 2.92 7.25 16.45 87.82 9.33 18.65 88.34 coo -18.98 -3.88 -14.05 -18.01 -5.56 -11.69 4.92 7.16 103.42 6.42 4.45 103.73 coo -18.09 -5.55 -18.88 -17.66 -5.99 -16.85 5.79 8.67 109.77 5.71 6.74 108.88 coo -11.04 -13.38 -5.15 -13.10 -12.92 -5.14 -5.20 17.74 96.96 -6.16 15.91 97.49 1i8t_c02 source 1i8t UDP-GALACTOPYRANOSE MUTASE : 3 hits 1i8t_c02 naa= 4 ULMN 4 1i8t_c03 UDP-GALACTOPYRANOSE MUTASE user 1 4 # 1 B 170 ARG A 117 ARG^? 9.09 O1 SO4 A 229 B 278 ARG B 218 ARG^? 24.95 O1 SO4 B 229 B 298 GLU B 223 GLU^? 27.95 O3 SO4 B 229 B 348 ASP B 39 ASP^? 20.66 O1 SO4 A 229 coo -8.10 23.98 3.08 -8.58 21.04 2.27 15.20 37.23 104.25 15.70 38.54 107.02 coo -19.09 15.00 16.26 -16.38 15.21 14.84 19.88 22.79 118.45 20.69 21.06 116.02 coo -19.42 16.58 21.15 -18.01 16.20 19.59 18.86 25.12 122.56 20.16 23.43 122.41 coo -3.61 14.95 13.27 -5.31 15.62 12.23 23.84 25.31 104.29 24.42 26.93 105.50 ULMN 4 1i8t_c03 UDP-GALACTOPYRANOSE MUTASE user 2 4 # 2 B 170 ARG A 193 ARG^? 10.95 O4 SO4 A 231 B 278 ARG A 70 ARG^? 17.64 O2 SO4 A 229 B 298 GLU A 187 GLU^? 15.53 O2 SO4 A 229 B 348 ASP A 52 ASP^? 8.69 O1 SO4 A 229 coo -8.10 23.98 3.08 -8.58 21.04 2.27 5.91 33.86 82.10 3.69 32.12 83.32 coo -19.09 15.00 16.26 -16.38 15.21 14.84 2.37 50.83 90.43 1.13 53.29 89.13 coo -19.42 16.58 21.15 -18.01 16.20 19.59 -0.92 50.23 94.11 -1.07 51.49 92.41 coo -3.61 14.95 13.27 -5.31 15.62 12.23 13.74 39.26 94.65 14.56 41.23 94.45 ULMN 4 1i8t_c03 UDP-GALACTOPYRANOSE MUTASE user 3 4 # 3 B 170 ARG B 193 ARG^? 19.35 O1 SO4 B 229 B 278 ARG B 70 ARG^? 17.55 O1 SO4 B 229 B 298 GLU B 187 GLU^? 15.82 O1 SO4 B 229 B 348 ASP B 52 ASP^? 8.63 O2 SO4 B 229 coo -8.10 23.98 3.08 -8.58 21.04 2.27 7.25 16.45 87.82 9.33 18.65 88.34 coo -19.09 15.00 16.26 -16.38 15.21 14.84 4.92 7.16 103.42 6.42 4.45 103.73 coo -19.42 16.58 21.15 -18.01 16.20 19.59 5.79 8.67 109.77 5.71 6.74 108.88 coo -3.61 14.95 13.27 -5.31 15.62 12.23 -5.20 17.74 96.96 -6.16 15.91 97.49 1i8t_c03 source 1i8t UDP-GALACTOPYRANOSE MUTASE : 3 hits 1i8t_c03 naa= 4 ULMN 4 1iec_c02 CAPSID PROTEIN P40: ASSEMBLIN PROTEAuser 1 4 # 1 B 363 HIS A 47 HIS^? 9.70 O3 SO4 A 229 B 457 ALA A 18 ALA^? 9.18 O3 SO4 A 229 B 465 ARG B 49 ARG^? -5.45 O4 SO4 B 229s B 466 ARG B 54 ARG^? -2.73 O1 SO4 B 229s coo 66.07 12.30 58.15 65.21 10.91 59.48 0.48 32.34 101.22 -1.58 32.73 101.11 coo 69.52 5.37 56.42 70.10 6.70 55.92 2.23 34.08 94.39 3.68 33.97 93.84 coo 58.20 13.10 62.35 56.97 11.67 59.94 -5.59 26.20 104.46 -4.44 26.24 107.34 coo 59.04 4.50 63.99 59.56 4.71 60.96 2.04 21.87 100.04 0.47 20.79 102.47 ULMN 4 1iec_c02 CAPSID PROTEIN P40: ASSEMBLIN PROTEAuser 2 4 # 2 B 363 HIS B 47 HIS^? 9.69 O4 SO4 B 229 B 457 ALA B 18 ALA^? 9.68 O4 SO4 B 229 B 465 ARG A 49 ARG^? -7.08 O1 SO4 A 229s B 466 ARG A 54 ARG^? -2.64 O2 SO4 A 229s coo 66.07 12.30 58.15 65.21 10.91 59.48 4.75 28.44 103.45 6.59 28.31 104.44 coo 69.52 5.37 56.42 70.10 6.70 55.92 5.95 23.37 98.61 4.96 22.83 97.55 coo 58.20 13.10 62.35 56.97 11.67 59.94 10.25 36.07 104.69 11.36 37.50 107.24 coo 59.04 4.50 63.99 59.56 4.71 60.96 5.30 36.31 96.12 6.03 38.74 97.87 1iec_c02 source 1iec CAPSID PROTEIN P40: ASSEMBLIN PROTEASE : 2 hits 1iec_c02 naa= 4 ULMN 4 1kim_c01 THYMIDINE KINASE user 1 4 # 1 B 59 GLY A 113 GLY^? 16.24 O1 SO4 A 229 B 83 GLU A 135 GLU^? 26.04 O1 SO4 A 229 B 163 ARG A 111 ARG^? 23.82 O1 SO4 A 229 B 222 ARG A 136 ARG^? 18.26 O1 SO4 A 229 coo 12.62 99.24 38.96 12.68 98.60 38.52 19.92 49.38 108.48 19.63 49.93 107.90 coo 14.40 90.04 44.78 14.76 92.05 44.57 28.90 53.95 105.73 29.85 54.07 107.68 coo 17.43 90.38 41.69 17.76 92.72 39.75 27.79 53.22 110.53 27.99 50.20 111.12 coo 13.56 96.78 47.94 12.87 95.13 45.44 23.23 51.88 101.29 21.27 53.39 99.53 1kim_c01 source 1kim THYMIDINE KINASE : 1 hits 1kim_c01 naa= 4 ULMN 4 1l7d_c00 NICOTINAMIDE NUCLEOTIDE TRANSHYDROGEuser 1 4 # 1 A 127 ARG B 136 ARG^? 16.25 O2 SO4 B 229 A 132 GLN B 121 GLN^? 14.05 O3 SO4 B 229 A 135 ASP B 115 ASP^? 13.85 O3 SO4 B 229 A 138 SER B 116 SER^? 14.92 O3 SO4 B 229 coo -5.87 -32.14 16.05 -5.08 -34.04 18.31 -18.31 12.65 112.04 -15.83 11.94 110.39 coo 0.32 -23.63 17.28 -0.45 -21.67 17.61 -9.72 16.47 115.76 -11.08 17.68 116.85 coo 2.58 -27.93 13.18 1.12 -28.64 11.82 -12.10 21.41 116.25 -11.91 23.51 116.16 coo 1.28 -26.11 8.70 -0.28 -25.96 10.56 -14.36 21.91 112.03 -15.99 23.77 112.13 ULMN 4 1l7d_c00 NICOTINAMIDE NUCLEOTIDE TRANSHYDROGEuser 2 4 # 2 A 127 ARG B 136 ARG^? 16.25 O2 SO4 B 229 A 132 GLN B 121 GLN^? 14.05 O3 SO4 B 229 A 135 ASP B 115 ASP^? 13.85 O3 SO4 B 229 A 138 SER B 140 SER^? 18.74 O3 SO4 B 229 coo -5.87 -32.14 16.05 -5.08 -34.04 18.31 -18.31 12.65 112.04 -15.83 11.94 110.39 coo 0.32 -23.63 17.28 -0.45 -21.67 17.61 -9.72 16.47 115.76 -11.08 17.68 116.85 coo 2.58 -27.93 13.18 1.12 -28.64 11.82 -12.10 21.41 116.25 -11.91 23.51 116.16 coo 1.28 -26.11 8.70 -0.28 -25.96 10.56 -13.55 22.77 120.12 -12.47 24.15 121.85 1l7d_c00 source 1l7d NICOTINAMIDE NUCLEOTIDE TRANSHYDROGENASE, SUBU: 2 hits 1l7d_c00 naa= 4 ULMN 4 1mpp_c05 PEPSIN (RENIN) (E.C.3.4.23.23) user 1 4 # 1 32 ASP B 115 ASP^? 13.85 O3 SO4 B 229 35 SER B 140 SER^? 18.74 O3 SO4 B 229 75 TYR B 141 TYR^? 18.84 O3 SO4 B 229 215 ASP B 138 ASP^? 17.24 O3 SO4 B 229 coo 20.97 14.47 32.28 19.66 15.96 31.62 -12.10 21.41 116.25 -11.91 23.51 116.16 coo 16.04 14.72 33.82 17.27 13.71 31.95 -13.55 22.77 120.12 -12.47 24.15 121.85 coo 15.29 15.16 26.38 15.79 12.61 27.66 -9.09 19.42 122.99 -7.89 17.76 124.89 coo 20.65 22.00 33.80 20.06 20.56 32.39 -19.34 21.74 114.74 -17.84 23.07 113.94 1mpp_c05 source 1mpp PEPSIN (RENIN) (E.C.3.4.23.23) : 1 hits 1mpp_c05 naa= 4 ULMN 4 1odt_c00 CEPHALOSPORIN C DEACETYLASE user 1 4 # 1 C 181 ALA A 214 ALA^? 7.16 O1 SO4 A 230 C 182 GLN A 216 GLN^? 12.04 O3 SO4 A 230 C 269 ASP A 208 ASP^? 7.66 O1 SO4 A 230 C 298 HIS A 210 HIS^? 9.95 O1 SO4 A 230 coo 19.41 78.76 44.53 18.61 79.22 45.75 -14.84 46.79 99.08 -16.31 46.97 98.48 coo 24.64 81.35 46.97 24.99 82.28 48.83 -8.40 44.89 101.35 -6.72 45.73 100.34 coo 10.40 79.73 42.00 12.16 80.19 43.16 -15.69 43.98 89.75 -16.79 45.74 90.29 coo 13.42 79.87 46.31 15.44 80.29 45.93 -16.02 49.92 93.97 -17.27 50.59 95.51 ULMN 4 1odt_c00 CEPHALOSPORIN C DEACETYLASE user 2 4 # 2 C 181 ALA A 214 ALA^? 7.16 O1 SO4 A 230 C 182 GLN A 217 GLN^? 13.11 O3 SO4 A 230 C 269 ASP A 208 ASP^? 7.66 O1 SO4 A 230 C 298 HIS A 210 HIS^? 9.95 O1 SO4 A 230 coo 19.41 78.76 44.53 18.61 79.22 45.75 -14.84 46.79 99.08 -16.31 46.97 98.48 coo 24.64 81.35 46.97 24.99 82.28 48.83 -11.47 49.00 102.46 -9.62 49.16 103.59 coo 10.40 79.73 42.00 12.16 80.19 43.16 -15.69 43.98 89.75 -16.79 45.74 90.29 coo 13.42 79.87 46.31 15.44 80.29 45.93 -16.02 49.92 93.97 -17.27 50.59 95.51 ULMN 4 1odt_c00 CEPHALOSPORIN C DEACETYLASE user 3 4 # 3 C 181 ALA B 185 ALA^? 10.94 O1 SO4 B 229 C 182 GLN B 184 GLN^? 15.80 O1 SO4 B 229 C 269 ASP B 120 ASP^? 8.68 O3 SO4 B 229 C 298 HIS B 97 HIS^? 12.49 O3 SO4 B 229 coo 19.41 78.76 44.53 18.61 79.22 45.75 0.02 10.85 109.56 -1.39 10.88 110.17 coo 24.64 81.35 46.97 24.99 82.28 48.83 1.89 5.54 107.57 1.24 4.64 105.75 coo 10.40 79.73 42.00 12.16 80.19 43.16 -4.32 17.92 112.37 -3.28 16.49 113.53 coo 13.42 79.87 46.31 15.44 80.29 45.93 -3.31 12.76 116.75 -2.66 14.35 115.55 ULMN 4 1odt_c00 CEPHALOSPORIN C DEACETYLASE user 4 4 # 4 C 181 ALA B 214 ALA^? 24.06 O1 SO4 B 229 C 182 GLN B 216 GLN^? 14.75 O1 SO4 B 229 C 269 ASP B 208 ASP^? 25.58 O1 SO4 B 229 C 298 HIS B 210 HIS^? 25.92 O1 SO4 B 229 coo 19.41 78.76 44.53 18.61 79.22 45.75 17.92 17.53 115.89 19.42 17.18 116.11 coo 24.64 81.35 46.97 24.99 82.28 48.83 11.51 19.20 113.95 10.44 17.69 112.88 coo 10.40 79.73 42.00 12.16 80.19 43.16 22.68 13.69 106.98 23.40 15.21 108.39 coo 13.42 79.87 46.31 15.44 80.29 45.93 21.10 10.94 112.67 20.59 9.01 113.37 ULMN 4 1odt_c00 CEPHALOSPORIN C DEACETYLASE user 5 4 # 5 C 181 ALA B 214 ALA^? 24.06 O1 SO4 B 229 C 182 GLN B 217 GLN^? 19.30 O3 SO4 B 229 C 269 ASP B 208 ASP^? 25.58 O1 SO4 B 229 C 298 HIS B 210 HIS^? 25.92 O1 SO4 B 229 coo 19.41 78.76 44.53 18.61 79.22 45.75 17.92 17.53 115.89 19.42 17.18 116.11 coo 24.64 81.35 46.97 24.99 82.28 48.83 13.77 16.80 118.40 11.67 17.17 118.68 coo 10.40 79.73 42.00 12.16 80.19 43.16 22.68 13.69 106.98 23.40 15.21 108.39 coo 13.42 79.87 46.31 15.44 80.29 45.93 21.10 10.94 112.67 20.59 9.01 113.37 1odt_c00 source 1odt CEPHALOSPORIN C DEACETYLASE : 5 hits 1odt_c00 naa= 4 ULMN 4 1odt_c01 CEPHALOSPORIN C DEACETYLASE user 1 4 # 1 H 181 ALA A 214 ALA^? 7.16 O1 SO4 A 230 H 182 GLN A 216 GLN^? 12.04 O3 SO4 A 230 H 269 ASP A 208 ASP^? 7.66 O1 SO4 A 230 H 298 HIS A 210 HIS^? 9.95 O1 SO4 A 230 coo 17.71 105.28 65.69 16.95 104.75 64.54 -14.84 46.79 99.08 -16.31 46.97 98.48 coo 23.16 103.35 63.17 23.71 102.54 61.29 -8.40 44.89 101.35 -6.72 45.73 100.34 coo 8.91 102.95 68.35 10.66 102.77 67.10 -15.69 43.98 89.75 -16.79 45.74 90.29 coo 11.89 103.25 63.94 13.96 103.24 64.24 -16.02 49.92 93.97 -17.27 50.59 95.51 ULMN 4 1odt_c01 CEPHALOSPORIN C DEACETYLASE user 2 4 # 2 H 181 ALA A 214 ALA^? 7.16 O1 SO4 A 230 H 182 GLN A 217 GLN^? 13.11 O3 SO4 A 230 H 269 ASP A 208 ASP^? 7.66 O1 SO4 A 230 H 298 HIS A 210 HIS^? 9.95 O1 SO4 A 230 coo 17.71 105.28 65.69 16.95 104.75 64.54 -14.84 46.79 99.08 -16.31 46.97 98.48 coo 23.16 103.35 63.17 23.71 102.54 61.29 -11.47 49.00 102.46 -9.62 49.16 103.59 coo 8.91 102.95 68.35 10.66 102.77 67.10 -15.69 43.98 89.75 -16.79 45.74 90.29 coo 11.89 103.25 63.94 13.96 103.24 64.24 -16.02 49.92 93.97 -17.27 50.59 95.51 ULMN 4 1odt_c01 CEPHALOSPORIN C DEACETYLASE user 3 4 # 3 H 181 ALA B 185 ALA^? 10.94 O1 SO4 B 229 H 182 GLN B 184 GLN^? 15.80 O1 SO4 B 229 H 269 ASP B 120 ASP^? 8.68 O3 SO4 B 229 H 298 HIS B 97 HIS^? 12.49 O3 SO4 B 229 coo 17.71 105.28 65.69 16.95 104.75 64.54 0.02 10.85 109.56 -1.39 10.88 110.17 coo 23.16 103.35 63.17 23.71 102.54 61.29 1.89 5.54 107.57 1.24 4.64 105.75 coo 8.91 102.95 68.35 10.66 102.77 67.10 -4.32 17.92 112.37 -3.28 16.49 113.53 coo 11.89 103.25 63.94 13.96 103.24 64.24 -3.31 12.76 116.75 -2.66 14.35 115.55 ULMN 4 1odt_c01 CEPHALOSPORIN C DEACETYLASE user 4 4 # 4 H 181 ALA B 214 ALA^? 24.06 O1 SO4 B 229 H 182 GLN B 216 GLN^? 14.75 O1 SO4 B 229 H 269 ASP B 208 ASP^? 25.58 O1 SO4 B 229 H 298 HIS B 210 HIS^? 25.92 O1 SO4 B 229 coo 17.71 105.28 65.69 16.95 104.75 64.54 17.92 17.53 115.89 19.42 17.18 116.11 coo 23.16 103.35 63.17 23.71 102.54 61.29 11.51 19.20 113.95 10.44 17.69 112.88 coo 8.91 102.95 68.35 10.66 102.77 67.10 22.68 13.69 106.98 23.40 15.21 108.39 coo 11.89 103.25 63.94 13.96 103.24 64.24 21.10 10.94 112.67 20.59 9.01 113.37 ULMN 4 1odt_c01 CEPHALOSPORIN C DEACETYLASE user 5 4 # 5 H 181 ALA B 214 ALA^? 24.06 O1 SO4 B 229 H 182 GLN B 217 GLN^? 19.30 O3 SO4 B 229 H 269 ASP B 208 ASP^? 25.58 O1 SO4 B 229 H 298 HIS B 210 HIS^? 25.92 O1 SO4 B 229 coo 17.71 105.28 65.69 16.95 104.75 64.54 17.92 17.53 115.89 19.42 17.18 116.11 coo 23.16 103.35 63.17 23.71 102.54 61.29 13.77 16.80 118.40 11.67 17.17 118.68 coo 8.91 102.95 68.35 10.66 102.77 67.10 22.68 13.69 106.98 23.40 15.21 108.39 coo 11.89 103.25 63.94 13.96 103.24 64.24 21.10 10.94 112.67 20.59 9.01 113.37 1odt_c01 source 1odt CEPHALOSPORIN C DEACETYLASE : 5 hits 1odt_c01 naa= 4 ULMN 4 1pix_c00 GLUTACONYL-COA DECARBOXYLASE A SUBUNuser 1 4 # 1 A 151 VAL A 137 VAL^? 18.90 O1 SO4 A 229 A 194 GLY A 113 GLY^? 16.24 O1 SO4 A 229 A 417 ILE B 84 ILE^? 15.64 O1 SO4 B 229 A 457 ALA B 85 ALA^? 17.70 O1 SO4 B 229 coo 60.43 93.31 8.03 62.16 94.30 8.93 24.27 47.72 106.85 25.19 48.18 108.78 coo 59.34 89.99 13.88 59.24 89.18 13.73 19.92 49.38 108.48 19.63 49.93 107.90 coo 39.61 128.90 22.54 40.04 128.24 23.80 8.48 8.57 99.19 7.38 8.41 100.26 coo 43.27 124.32 20.47 43.79 125.29 21.53 12.59 10.97 98.13 12.88 12.27 97.45 ULMN 4 1pix_c00 GLUTACONYL-COA DECARBOXYLASE A SUBUNuser 2 4 # 2 A 151 VAL B 149 VAL^? 30.08 O3 SO4 B 229 A 194 GLY B 151 GLY^? 31.28 O3 SO4 B 229 A 417 ILE B 84 ILE^? 15.64 O1 SO4 B 229 A 457 ALA B 73 ALA^? 11.25 O1 SO4 B 229 coo 60.43 93.31 8.03 62.16 94.30 8.93 -17.98 14.83 131.07 -16.57 15.71 132.52 coo 59.34 89.99 13.88 59.24 89.18 13.73 -22.59 12.96 128.81 -22.50 13.64 128.39 coo 39.61 128.90 22.54 40.04 128.24 23.80 8.48 8.57 99.19 7.38 8.41 100.26 coo 43.27 124.32 20.47 43.79 125.29 21.53 1.39 10.71 100.04 2.87 10.55 100.37 1pix_c00 source 1pix GLUTACONYL-COA DECARBOXYLASE A SUBUNIT : 2 hits 1pix_c00 naa= 4 ULMN 4 1qh9_c01 2-HALOACID DEHALOGENASE user 1 4 # 1 A 10 ASP A 115 ASP^? 8.58 O1 SO4 A 229 A 41 ARG A 136 ARG^? 18.26 O1 SO4 A 229 A 118 SER A 118 SER^? 6.22 O1 SO4 A 229 A 180 ASP A 138 ASP^? 13.32 O1 SO4 A 229 coo 20.70 13.03 9.13 22.27 11.81 9.81 15.77 43.56 105.82 15.72 41.47 106.14 coo 23.00 19.17 17.85 22.49 17.70 15.19 23.23 51.88 101.29 21.27 53.39 99.53 coo 17.70 9.25 13.10 16.68 11.30 13.99 12.94 43.53 101.47 11.74 45.37 102.38 coo 26.47 11.43 10.70 25.16 9.82 11.06 23.15 43.17 105.53 21.70 41.96 104.55 ULMN 4 1qh9_c01 2-HALOACID DEHALOGENASE user 2 4 # 2 A 10 ASP B 115 ASP^? 13.85 O3 SO4 B 229 A 41 ARG B 136 ARG^? 16.25 O2 SO4 B 229 A 118 SER B 118 SER^? 9.02 O3 SO4 B 229 A 180 ASP B 138 ASP^? 17.24 O3 SO4 B 229 coo 20.70 13.03 9.13 22.27 11.81 9.81 -12.10 21.41 116.25 -11.91 23.51 116.16 coo 23.00 19.17 17.85 22.49 17.70 15.19 -18.31 12.65 112.04 -15.83 11.94 110.39 coo 17.70 9.25 13.10 16.68 11.30 13.99 -8.83 21.42 112.28 -7.48 20.01 113.71 coo 26.47 11.43 10.70 25.16 9.82 11.06 -19.34 21.74 114.74 -17.84 23.07 113.94 ULMN 4 1qh9_c01 2-HALOACID DEHALOGENASE user 3 4 # 3 A 10 ASP B 115 ASP^? 13.85 O3 SO4 B 229 A 41 ARG B 136 ARG^? 16.25 O2 SO4 B 229 A 118 SER B 140 SER^? 18.74 O3 SO4 B 229 A 180 ASP B 138 ASP^? 17.24 O3 SO4 B 229 coo 20.70 13.03 9.13 22.27 11.81 9.81 -12.10 21.41 116.25 -11.91 23.51 116.16 coo 23.00 19.17 17.85 22.49 17.70 15.19 -18.31 12.65 112.04 -15.83 11.94 110.39 coo 17.70 9.25 13.10 16.68 11.30 13.99 -13.55 22.77 120.12 -12.47 24.15 121.85 coo 26.47 11.43 10.70 25.16 9.82 11.06 -19.34 21.74 114.74 -17.84 23.07 113.94 1qh9_c01 source 1qh9 2-HALOACID DEHALOGENASE : 3 hits 1qh9_c01 naa= 4 ULMN 4 1x9h_c00 GLUCOSE-6-PHOSPHATE ISOMERASE user 1 4 # 1 A 135 ARG A 25 ARG^? 13.42 O3 SO4 A 230 A 203 GLU A 28 GLU^? 15.00 O4 SO4 A 229 A 219 HIS B 91 HIS^? 17.45 O3 SO4 B 229 A 298 LYS A 35 LYS^? 11.43 O2 SO4 A 230 coo 46.78 3.24 25.36 49.46 4.02 24.06 -8.12 40.98 109.71 -10.75 39.35 109.96 coo 45.62 7.41 24.38 46.18 6.66 26.27 -5.36 37.58 106.38 -6.12 37.04 108.31 coo 17.74 16.81 28.99 16.41 15.60 30.09 5.92 11.10 116.67 5.40 9.21 117.42 coo 54.03 15.54 30.62 51.73 9.72 31.19 -9.76 35.16 95.20 -10.16 29.64 98.57 ULMN 4 1x9h_c00 GLUCOSE-6-PHOSPHATE ISOMERASE user 2 4 # 2 A 135 ARG A 25 ARG^? 13.42 O3 SO4 A 230 A 203 GLU A 28 GLU^? 15.00 O4 SO4 A 229 A 219 HIS B 215 HIS^? 20.82 O1 SO4 B 229 A 298 LYS A 35 LYS^? 11.43 O2 SO4 A 230 coo 46.78 3.24 25.36 49.46 4.02 24.06 -8.12 40.98 109.71 -10.75 39.35 109.96 coo 45.62 7.41 24.38 46.18 6.66 26.27 -5.36 37.58 106.38 -6.12 37.04 108.31 coo 17.74 16.81 28.99 16.41 15.60 30.09 17.61 22.77 112.56 17.48 24.80 112.05 coo 54.03 15.54 30.62 51.73 9.72 31.19 -9.76 35.16 95.20 -10.16 29.64 98.57 ULMN 4 1x9h_c00 GLUCOSE-6-PHOSPHATE ISOMERASE user 3 4 # 3 A 135 ARG B 25 ARG^? 18.98 O3 SO4 B 229 A 203 GLU B 28 GLU^? 14.88 O3 SO4 B 229 A 219 HIS A 91 HIS^? 17.38 O4 SO4 A 229 A 298 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo 46.78 3.24 25.36 49.46 4.02 24.06 7.91 26.52 118.07 7.56 27.20 121.14 coo 45.62 7.41 24.38 46.18 6.66 26.27 7.08 27.54 112.66 7.38 29.31 113.76 coo 17.74 16.81 28.99 16.41 15.60 30.09 -3.47 53.98 101.75 -2.43 55.80 101.90 coo 54.03 15.54 30.62 51.73 9.72 31.19 16.47 24.53 104.57 15.75 30.78 103.34 ULMN 4 1x9h_c00 GLUCOSE-6-PHOSPHATE ISOMERASE user 4 4 # 4 A 135 ARG B 25 ARG^? 18.98 O3 SO4 B 229 A 203 GLU B 28 GLU^? 14.88 O3 SO4 B 229 A 219 HIS A 215 HIS^? -3.69 O3 SO4 A 230s A 298 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo 46.78 3.24 25.36 49.46 4.02 24.06 7.91 26.52 118.07 7.56 27.20 121.14 coo 45.62 7.41 24.38 46.18 6.66 26.27 7.08 27.54 112.66 7.38 29.31 113.76 coo 17.74 16.81 28.99 16.41 15.60 30.09 -13.92 40.67 99.66 -13.69 38.69 100.32 coo 54.03 15.54 30.62 51.73 9.72 31.19 16.47 24.53 104.57 15.75 30.78 103.34 1x9h_c00 source 1x9h GLUCOSE-6-PHOSPHATE ISOMERASE : 4 hits 1x9h_c00 naa= 4 ULMN 4 1x9h_c01 GLUCOSE-6-PHOSPHATE ISOMERASE user 1 4 # 1 B 135 ARG A 25 ARG^? 13.42 O3 SO4 A 230 B 203 GLU A 28 GLU^? 15.00 O4 SO4 A 229 B 219 HIS B 91 HIS^? 17.45 O3 SO4 B 229 B 298 LYS A 35 LYS^? 11.43 O2 SO4 A 230 coo 18.36 26.71 24.52 15.92 26.01 22.78 -8.12 40.98 109.71 -10.75 39.35 109.96 coo 19.67 22.60 23.25 18.70 23.07 25.03 -5.36 37.58 106.38 -6.12 37.04 108.31 coo 46.63 12.38 30.98 47.80 13.39 32.39 5.92 11.10 116.67 5.40 9.21 117.42 coo 10.17 13.56 26.79 12.26 19.06 29.15 -9.76 35.16 95.20 -10.16 29.64 98.57 ULMN 4 1x9h_c01 GLUCOSE-6-PHOSPHATE ISOMERASE user 2 4 # 2 B 135 ARG B 25 ARG^? 18.98 O3 SO4 B 229 B 203 GLU B 28 GLU^? 14.88 O3 SO4 B 229 B 219 HIS A 91 HIS^? 17.38 O4 SO4 A 229 B 298 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo 18.36 26.71 24.52 15.92 26.01 22.78 7.91 26.52 118.07 7.56 27.20 121.14 coo 19.67 22.60 23.25 18.70 23.07 25.03 7.08 27.54 112.66 7.38 29.31 113.76 coo 46.63 12.38 30.98 47.80 13.39 32.39 -3.47 53.98 101.75 -2.43 55.80 101.90 coo 10.17 13.56 26.79 12.26 19.06 29.15 16.47 24.53 104.57 15.75 30.78 103.34 ULMN 4 1x9h_c01 GLUCOSE-6-PHOSPHATE ISOMERASE user 3 4 # 3 B 135 ARG B 25 ARG^? 18.98 O3 SO4 B 229 B 203 GLU B 28 GLU^? 14.88 O3 SO4 B 229 B 219 HIS A 215 HIS^? -3.69 O3 SO4 A 230s B 298 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo 18.36 26.71 24.52 15.92 26.01 22.78 7.91 26.52 118.07 7.56 27.20 121.14 coo 19.67 22.60 23.25 18.70 23.07 25.03 7.08 27.54 112.66 7.38 29.31 113.76 coo 46.63 12.38 30.98 47.80 13.39 32.39 -13.92 40.67 99.66 -13.69 38.69 100.32 coo 10.17 13.56 26.79 12.26 19.06 29.15 16.47 24.53 104.57 15.75 30.78 103.34 1x9h_c01 source 1x9h GLUCOSE-6-PHOSPHATE ISOMERASE : 3 hits 1x9h_c01 naa= 4 ULMN 4 2pgd_c00 6-PHOSPHOGLUCONATE DEHYDROGENASE (6-user 1 4 # 1 130 GLY A 151 GLY^? 27.10 O1 SO4 A 229 183 LYS A 110 LYS^? 28.35 O1 SO4 A 229 187 ASN A 108 ASN^? 31.71 O1 SO4 A 229 190 GLU A 105 GLU^? 30.13 O4 SO4 A 229 coo 17.10 29.44 43.85 16.37 29.12 43.58 24.27 53.62 118.76 24.35 52.94 118.32 coo 19.89 26.71 31.12 19.64 27.76 36.18 25.55 58.06 108.35 29.49 58.97 105.77 coo 24.07 30.35 34.20 22.74 29.43 35.67 23.42 63.46 112.90 25.40 64.20 113.21 coo 22.71 35.39 36.78 22.54 33.56 37.82 20.63 62.21 117.15 22.45 61.29 117.66 2pgd_c00 source 2pgd 6-PHOSPHOGLUCONATE DEHYDROGENASE (6-PGDH) (E.C: 1 hits 2pgd_c00 naa= 4 ULMN 3 12as_c00 ASPARAGINE SYNTHETASE user 1 3 # 1 A 46 ASP A 64 ASP^? 16.48 O4 SO4 A 231 A 100 ARG A 193 ARG^? 10.95 O4 SO4 A 231 A 116 GLN A 200 GLN^? 12.72 O4 SO4 A 231 coo 32.24 20.09 5.34 30.38 19.04 5.27 -0.89 32.13 86.35 -1.06 30.06 86.04 coo 26.40 25.34 6.28 26.15 22.33 7.25 5.91 33.86 82.10 3.69 32.12 83.32 coo 26.74 21.94 13.78 27.57 20.97 12.08 -1.71 40.05 80.72 -0.56 40.48 79.00 ULMN 3 12as_c00 ASPARAGINE SYNTHETASE user 2 3 # 2 A 46 ASP A 195 ASP^? 8.92 O2 SO4 A 231 A 100 ARG A 193 ARG^? 10.95 O4 SO4 A 231 A 116 GLN A 200 GLN^? 12.72 O4 SO4 A 231 coo 32.24 20.09 5.34 30.38 19.04 5.27 4.21 36.83 75.89 5.47 37.96 74.68 coo 26.40 25.34 6.28 26.15 22.33 7.25 5.91 33.86 82.10 3.69 32.12 83.32 coo 26.74 21.94 13.78 27.57 20.97 12.08 -1.71 40.05 80.72 -0.56 40.48 79.00 ULMN 3 12as_c00 ASPARAGINE SYNTHETASE user 3 3 # 3 A 46 ASP B 64 ASP^? 18.27 O3 SO4 A 231 A 100 ARG B 193 ARG^? 19.35 O1 SO4 B 229 A 116 GLN B 200 GLN^? 21.76 O1 SO4 B 229 coo 32.24 20.09 5.34 30.38 19.04 5.27 12.23 21.46 92.76 12.58 23.03 91.40 coo 26.40 25.34 6.28 26.15 22.33 7.25 7.25 16.45 87.82 9.33 18.65 88.34 coo 26.74 21.94 13.78 27.57 20.97 12.08 14.15 11.63 93.25 13.38 10.56 91.60 ULMN 3 12as_c00 ASPARAGINE SYNTHETASE user 4 3 # 4 A 46 ASP B 126 ASP^? 13.57 O2 SO4 B 229 A 100 ARG B 136 ARG^? 16.25 O2 SO4 B 229 A 116 GLN B 121 GLN^? 14.05 O3 SO4 B 229 coo 32.24 20.09 5.34 30.38 19.04 5.27 -11.35 10.60 108.40 -13.06 11.59 107.65 coo 26.40 25.34 6.28 26.15 22.33 7.25 -18.31 12.65 112.04 -15.83 11.94 110.39 coo 26.74 21.94 13.78 27.57 20.97 12.08 -9.72 16.47 115.76 -11.08 17.68 116.85 ULMN 3 12as_c00 ASPARAGINE SYNTHETASE user 5 3 # 5 A 46 ASP B 138 ASP^? 17.24 O3 SO4 B 229 A 100 ARG B 136 ARG^? 16.25 O2 SO4 B 229 A 116 GLN B 121 GLN^? 14.05 O3 SO4 B 229 coo 32.24 20.09 5.34 30.38 19.04 5.27 -19.34 21.74 114.74 -17.84 23.07 113.94 coo 26.40 25.34 6.28 26.15 22.33 7.25 -18.31 12.65 112.04 -15.83 11.94 110.39 coo 26.74 21.94 13.78 27.57 20.97 12.08 -9.72 16.47 115.76 -11.08 17.68 116.85 ULMN 3 12as_c00 ASPARAGINE SYNTHETASE user 6 3 # 6 A 46 ASP B 179 ASP^? 19.53 O1 SO4 B 229 A 100 ARG B 181 ARG^? 17.91 O2 SO4 B 229 A 116 GLN B 184 GLN^? 15.80 O1 SO4 B 229 coo 32.24 20.09 5.34 30.38 19.04 5.27 -5.05 2.01 112.29 -5.62 2.01 110.23 coo 26.40 25.34 6.28 26.15 22.33 7.25 -4.90 4.22 106.56 -7.80 3.62 107.30 coo 26.74 21.94 13.78 27.57 20.97 12.08 1.89 5.54 107.57 1.24 4.64 105.75 ULMN 3 12as_c00 ASPARAGINE SYNTHETASE user 7 3 # 7 A 46 ASP B 195 ASP^? 23.57 O1 SO4 B 229 A 100 ARG B 193 ARG^? 19.35 O1 SO4 B 229 A 116 GLN B 200 GLN^? 21.76 O1 SO4 B 229 coo 32.24 20.09 5.34 30.38 19.04 5.27 10.49 11.54 85.09 9.59 13.42 84.64 coo 26.40 25.34 6.28 26.15 22.33 7.25 7.25 16.45 87.82 9.33 18.65 88.34 coo 26.74 21.94 13.78 27.57 20.97 12.08 14.15 11.63 93.25 13.38 10.56 91.60 12as_c00 source 12as ASPARAGINE SYNTHETASE : 7 hits 12as_c00 naa= 3 ULMN 3 12as_c01 ASPARAGINE SYNTHETASE user 1 3 # 1 B 46 ASP A 64 ASP^? 16.48 O4 SO4 A 231 B 100 ARG A 193 ARG^? 10.95 O4 SO4 A 231 B 116 GLN A 200 GLN^? 12.72 O4 SO4 A 231 coo 32.18 48.37 12.48 33.96 49.46 12.97 -0.89 32.13 86.35 -1.06 30.06 86.04 coo 39.04 43.25 11.37 38.30 45.35 13.56 5.91 33.86 82.10 3.69 32.12 83.32 coo 37.43 42.63 19.41 36.76 44.08 17.97 -1.71 40.05 80.72 -0.56 40.48 79.00 ULMN 3 12as_c01 ASPARAGINE SYNTHETASE user 2 3 # 2 B 46 ASP B 64 ASP^? 18.27 O3 SO4 A 231 B 100 ARG B 193 ARG^? 19.35 O1 SO4 B 229 B 116 GLN B 200 GLN^? 21.76 O1 SO4 B 229 coo 32.18 48.37 12.48 33.96 49.46 12.97 12.23 21.46 92.76 12.58 23.03 91.40 coo 39.04 43.25 11.37 38.30 45.35 13.56 7.25 16.45 87.82 9.33 18.65 88.34 coo 37.43 42.63 19.41 36.76 44.08 17.97 14.15 11.63 93.25 13.38 10.56 91.60 ULMN 3 12as_c01 ASPARAGINE SYNTHETASE user 3 3 # 3 B 46 ASP B 126 ASP^? 13.57 O2 SO4 B 229 B 100 ARG B 136 ARG^? 16.25 O2 SO4 B 229 B 116 GLN B 121 GLN^? 14.05 O3 SO4 B 229 coo 32.18 48.37 12.48 33.96 49.46 12.97 -11.35 10.60 108.40 -13.06 11.59 107.65 coo 39.04 43.25 11.37 38.30 45.35 13.56 -18.31 12.65 112.04 -15.83 11.94 110.39 coo 37.43 42.63 19.41 36.76 44.08 17.97 -9.72 16.47 115.76 -11.08 17.68 116.85 ULMN 3 12as_c01 ASPARAGINE SYNTHETASE user 4 3 # 4 B 46 ASP B 138 ASP^? 17.24 O3 SO4 B 229 B 100 ARG B 136 ARG^? 16.25 O2 SO4 B 229 B 116 GLN B 121 GLN^? 14.05 O3 SO4 B 229 coo 32.18 48.37 12.48 33.96 49.46 12.97 -19.34 21.74 114.74 -17.84 23.07 113.94 coo 39.04 43.25 11.37 38.30 45.35 13.56 -18.31 12.65 112.04 -15.83 11.94 110.39 coo 37.43 42.63 19.41 36.76 44.08 17.97 -9.72 16.47 115.76 -11.08 17.68 116.85 12as_c01 source 12as ASPARAGINE SYNTHETASE : 4 hits 12as_c01 naa= 3 ULMN 3 1a05_c00 3-ISOPROPYLMALATE DEHYDROGENASE user 1 3 # 1 A 140 TYR A 141 TYR^? 9.25 O4 SO4 A 229 B 190 LYS A 122 LYS^? 10.06 O1 SO4 A 229 B 222 ASP A 120 ASP^? 7.17 O2 SO4 A 229 coo 7.17 16.59 41.26 8.01 19.20 40.73 12.91 44.78 109.54 12.66 42.85 107.55 coo 13.38 20.00 35.06 11.43 22.49 39.53 16.00 48.82 99.35 17.27 43.58 96.56 coo 9.76 26.58 38.10 11.63 25.78 38.76 9.29 47.78 99.49 7.80 47.36 98.01 1a05_c00 source 1a05 3-ISOPROPYLMALATE DEHYDROGENASE : 1 hits 1a05_c00 naa= 3 ULMN 3 1a05_c01 3-ISOPROPYLMALATE DEHYDROGENASE user 1 3 # 1 A 190 LYS A 122 LYS^? 10.06 O1 SO4 A 229 A 222 ASP A 120 ASP^? 7.17 O2 SO4 A 229 B 140 TYR A 141 TYR^? 9.25 O4 SO4 A 229 coo -4.61 20.12 30.34 -2.74 22.65 25.95 16.00 48.82 99.35 17.27 43.58 96.56 coo -1.04 26.60 27.37 -2.94 25.93 26.69 9.29 47.78 99.49 7.80 47.36 98.01 coo 1.51 16.60 24.17 0.82 19.23 24.79 12.91 44.78 109.54 12.66 42.85 107.55 1a05_c01 source 1a05 3-ISOPROPYLMALATE DEHYDROGENASE : 1 hits 1a05_c01 naa= 3 ULMN 3 1a0j_c12 TRYPSIN user 1 3 # 1 A 57 HIS B 210 HIS^? 25.92 O1 SO4 B 229 A 102 ASP B 208 ASP^? 25.58 O1 SO4 B 229 A 193 GLY B 89 GLY^? 16.96 O1 SO4 B 229 coo 25.57 41.22 61.68 24.18 39.98 62.50 21.10 10.94 112.67 20.59 9.01 113.37 coo 22.33 45.48 59.73 23.35 43.67 60.06 22.68 13.69 106.98 23.40 15.21 108.39 coo 22.57 32.23 64.13 21.98 32.82 64.22 10.15 9.21 110.31 9.83 9.95 110.22 1a0j_c12 source 1a0j TRYPSIN : 1 hits 1a0j_c12 naa= 3 ULMN 3 1a0j_c13 TRYPSIN user 1 3 # 1 B 57 HIS A 210 HIS^? 9.95 O1 SO4 A 230 B 102 ASP A 208 ASP^? 7.66 O1 SO4 A 230 B 193 GLY A 89 GLY^? 17.01 O1 SO4 A 230 coo 44.08 45.58 52.81 45.86 46.55 52.85 -16.02 49.92 93.97 -17.27 50.59 95.51 coo 43.04 44.75 47.18 43.31 45.51 49.13 -15.69 43.98 89.75 -16.79 45.74 90.29 coo 50.46 51.91 56.90 50.65 51.62 56.14 -4.32 51.99 94.40 -3.98 51.29 94.76 ULMN 3 1a0j_c13 TRYPSIN user 2 3 # 2 B 57 HIS B 210 HIS^? 25.92 O1 SO4 B 229 B 102 ASP B 208 ASP^? 25.58 O1 SO4 B 229 B 193 GLY B 89 GLY^? 16.96 O1 SO4 B 229 coo 44.08 45.58 52.81 45.86 46.55 52.85 21.10 10.94 112.67 20.59 9.01 113.37 coo 43.04 44.75 47.18 43.31 45.51 49.13 22.68 13.69 106.98 23.40 15.21 108.39 coo 50.46 51.91 56.90 50.65 51.62 56.14 10.15 9.21 110.31 9.83 9.95 110.22 1a0j_c13 source 1a0j TRYPSIN : 2 hits 1a0j_c13 naa= 3 ULMN 3 1a0j_c14 TRYPSIN user 1 3 # 1 C 57 HIS A 210 HIS^? 9.95 O1 SO4 A 230 C 102 ASP A 208 ASP^? 7.66 O1 SO4 A 230 C 193 GLY A 89 GLY^? 17.01 O1 SO4 A 230 coo 34.37 41.18 73.21 34.04 43.09 73.87 -16.02 49.92 93.97 -17.27 50.59 95.51 coo 34.89 38.34 78.12 35.11 39.59 76.42 -15.69 43.98 89.75 -16.79 45.74 90.29 coo 35.43 51.03 72.12 35.20 50.72 72.87 -4.32 51.99 94.40 -3.98 51.29 94.76 ULMN 3 1a0j_c14 TRYPSIN user 2 3 # 2 C 57 HIS B 210 HIS^? 25.92 O1 SO4 B 229 C 102 ASP B 208 ASP^? 25.58 O1 SO4 B 229 C 193 GLY B 89 GLY^? 16.96 O1 SO4 B 229 coo 34.37 41.18 73.21 34.04 43.09 73.87 21.10 10.94 112.67 20.59 9.01 113.37 coo 34.89 38.34 78.12 35.11 39.59 76.42 22.68 13.69 106.98 23.40 15.21 108.39 coo 35.43 51.03 72.12 35.20 50.72 72.87 10.15 9.21 110.31 9.83 9.95 110.22 1a0j_c14 source 1a0j TRYPSIN : 2 hits 1a0j_c14 naa= 3 ULMN 3 1a0j_c15 TRYPSIN user 1 3 # 1 D 57 HIS A 210 HIS^? 9.95 O1 SO4 A 230 D 102 ASP A 208 ASP^? 7.66 O1 SO4 A 230 D 193 GLY A 89 GLY^? 17.01 O1 SO4 A 230 coo 8.19 15.01 95.72 7.78 16.53 97.01 -16.02 49.92 93.97 -17.27 50.59 95.51 coo 13.53 16.28 93.98 11.45 16.21 94.40 -15.69 43.98 89.75 -16.79 45.74 90.29 coo 1.80 21.25 100.04 2.61 21.42 100.18 -4.32 51.99 94.40 -3.98 51.29 94.76 ULMN 3 1a0j_c15 TRYPSIN user 2 3 # 2 D 57 HIS B 210 HIS^? 25.92 O1 SO4 B 229 D 102 ASP B 208 ASP^? 25.58 O1 SO4 B 229 D 193 GLY B 89 GLY^? 16.96 O1 SO4 B 229 coo 8.19 15.01 95.72 7.78 16.53 97.01 21.10 10.94 112.67 20.59 9.01 113.37 coo 13.53 16.28 93.98 11.45 16.21 94.40 22.68 13.69 106.98 23.40 15.21 108.39 coo 1.80 21.25 100.04 2.61 21.42 100.18 10.15 9.21 110.31 9.83 9.95 110.22 1a0j_c15 source 1a0j TRYPSIN : 2 hits 1a0j_c15 naa= 3 ULMN 3 1a41_c01 TOPOISOMERASE I user 1 3 # 1 223 ARG A 25 ARG^? 13.42 O3 SO4 A 230 265 HIS A 215 HIS^? -3.69 O3 SO4 A 230s 274 TYR A 93 TYR^? 6.38 O2 SO4 A 229 coo -15.18 55.46 8.55 -14.82 52.98 10.38 -8.12 40.98 109.71 -10.75 39.35 109.96 coo -14.48 45.59 11.18 -14.02 47.49 10.42 -13.92 40.67 99.66 -13.69 38.69 100.32 coo 0.94 52.26 9.16 1.95 54.78 9.91 1.20 45.36 98.99 3.01 43.25 98.50 ULMN 3 1a41_c01 TOPOISOMERASE I user 2 3 # 2 223 ARG A 49 ARG^? -7.08 O1 SO4 A 229s 265 HIS A 47 HIS^? 9.70 O3 SO4 A 229 274 TYR A 76 TYR^? 9.48 O2 SO4 A 229 coo -15.18 55.46 8.55 -14.82 52.98 10.38 10.25 36.07 104.69 11.36 37.50 107.24 coo -14.48 45.59 11.18 -14.02 47.49 10.42 0.48 32.34 101.22 -1.58 32.73 101.11 coo 0.94 52.26 9.16 1.95 54.78 9.91 10.27 43.52 89.91 10.78 42.74 92.53 ULMN 3 1a41_c01 TOPOISOMERASE I user 3 3 # 3 223 ARG A 117 ARG^? 9.09 O1 SO4 A 229 265 HIS A 142 HIS^? 12.26 O4 SO4 A 229 274 TYR A 27 TYR^? 6.19 O4 SO4 A 229 coo -15.18 55.46 8.55 -14.82 52.98 10.38 15.20 37.23 104.25 15.70 38.54 107.02 coo -14.48 45.59 11.18 -14.02 47.49 10.42 13.21 42.55 113.57 11.63 42.05 112.27 coo 0.94 52.26 9.16 1.95 54.78 9.91 -0.27 40.97 103.40 2.22 42.05 102.76 ULMN 3 1a41_c01 TOPOISOMERASE I user 4 3 # 4 223 ARG B 25 ARG^? 18.98 O3 SO4 B 229 265 HIS B 215 HIS^? 20.82 O1 SO4 B 229 274 TYR B 93 TYR^? -6.26 O1 SO4 B 229s coo -15.18 55.46 8.55 -14.82 52.98 10.38 7.91 26.52 118.07 7.56 27.20 121.14 coo -14.48 45.59 11.18 -14.02 47.49 10.42 17.61 22.77 112.56 17.48 24.80 112.05 coo 0.94 52.26 9.16 1.95 54.78 9.91 3.42 16.10 108.71 2.04 17.62 106.85 1a41_c01 source 1a41 TOPOISOMERASE I : 4 hits 1a41_c01 naa= 3 ULMN 3 1a4s_c00 BETAINE ALDEHYDE DEHYDROGENASE user 1 3 # 1 A 166 ASN A 80 ASN^? -4.91 O3 SO4 A 231s A 263 GLU A 74 GLU^? 15.20 O4 SO4 A 231 A 297 CYH A 83 CYH^? 12.26 O4 SO4 A 231 coo -29.12 -17.91 -4.01 -27.90 -16.18 -4.17 11.97 41.28 84.18 13.37 41.01 85.80 coo -22.63 -7.00 -2.71 -20.98 -7.55 -3.90 6.06 51.55 88.92 5.14 51.51 86.98 coo -26.23 -13.20 -9.20 -24.31 -12.88 -7.19 3.04 43.26 82.65 0.35 43.27 81.65 ULMN 3 1a4s_c00 BETAINE ALDEHYDE DEHYDROGENASE user 2 3 # 2 A 166 ASN B 80 ASN^? 19.82 O1 SO4 B 229 A 263 GLU B 87 GLU^? 17.71 O1 SO4 B 229 A 297 CYH B 83 CYH^? 19.47 O1 SO4 B 229 coo -29.12 -17.91 -4.01 -27.90 -16.18 -4.17 3.85 5.87 90.55 4.56 5.40 92.56 coo -22.63 -7.00 -2.71 -20.98 -7.55 -3.90 10.05 8.18 103.44 9.48 6.19 103.45 coo -26.23 -13.20 -9.20 -24.31 -12.88 -7.19 8.55 9.56 94.41 11.41 9.29 94.50 1a4s_c00 source 1a4s BETAINE ALDEHYDE DEHYDROGENASE : 2 hits 1a4s_c00 naa= 3 ULMN 3 1a4s_c01 BETAINE ALDEHYDE DEHYDROGENASE user 1 3 # 1 B 166 ASN A 80 ASN^? -4.91 O3 SO4 A 231s B 263 GLU A 74 GLU^? 15.20 O4 SO4 A 231 B 297 CYH A 83 CYH^? 12.26 O4 SO4 A 231 coo -17.71 28.81 3.98 -17.49 26.70 4.16 11.97 41.28 84.18 13.37 41.01 85.80 coo -16.93 16.15 2.64 -15.22 15.89 3.84 6.06 51.55 88.92 5.14 51.51 86.98 coo -17.36 23.25 9.07 -15.77 22.09 7.09 3.04 43.26 82.65 0.35 43.27 81.65 ULMN 3 1a4s_c01 BETAINE ALDEHYDE DEHYDROGENASE user 2 3 # 2 B 166 ASN B 80 ASN^? 19.82 O1 SO4 B 229 B 263 GLU B 87 GLU^? 17.71 O1 SO4 B 229 B 297 CYH B 83 CYH^? 19.47 O1 SO4 B 229 coo -17.71 28.81 3.98 -17.49 26.70 4.16 3.85 5.87 90.55 4.56 5.40 92.56 coo -16.93 16.15 2.64 -15.22 15.89 3.84 10.05 8.18 103.44 9.48 6.19 103.45 coo -17.36 23.25 9.07 -15.77 22.09 7.09 8.55 9.56 94.41 11.41 9.29 94.50 1a4s_c01 source 1a4s BETAINE ALDEHYDE DEHYDROGENASE : 2 hits 1a4s_c01 naa= 3 ULMN 3 1a4s_c02 BETAINE ALDEHYDE DEHYDROGENASE user 1 3 # 1 C 166 ASN A 80 ASN^? -4.91 O3 SO4 A 231s C 263 GLU A 74 GLU^? 15.20 O4 SO4 A 231 C 297 CYH A 83 CYH^? 12.26 O4 SO4 A 231 coo 21.46 -14.18 22.47 21.02 -12.84 20.88 11.97 41.28 84.18 13.37 41.01 85.80 coo 18.98 -8.30 11.46 17.52 -6.95 12.17 6.06 51.55 88.92 5.14 51.51 86.98 coo 21.48 -6.84 20.62 19.38 -7.54 18.90 3.04 43.26 82.65 0.35 43.27 81.65 ULMN 3 1a4s_c02 BETAINE ALDEHYDE DEHYDROGENASE user 2 3 # 2 C 166 ASN B 80 ASN^? 19.82 O1 SO4 B 229 C 263 GLU B 87 GLU^? 17.71 O1 SO4 B 229 C 297 CYH B 83 CYH^? 19.47 O1 SO4 B 229 coo 21.46 -14.18 22.47 21.02 -12.84 20.88 3.85 5.87 90.55 4.56 5.40 92.56 coo 18.98 -8.30 11.46 17.52 -6.95 12.17 10.05 8.18 103.44 9.48 6.19 103.45 coo 21.48 -6.84 20.62 19.38 -7.54 18.90 8.55 9.56 94.41 11.41 9.29 94.50 1a4s_c02 source 1a4s BETAINE ALDEHYDE DEHYDROGENASE : 2 hits 1a4s_c02 naa= 3 ULMN 3 1a4s_c03 BETAINE ALDEHYDE DEHYDROGENASE user 1 3 # 1 D 166 ASN A 80 ASN^? -4.91 O3 SO4 A 231s D 263 GLU A 74 GLU^? 15.20 O4 SO4 A 231 D 297 CYH A 83 CYH^? 12.26 O4 SO4 A 231 coo 25.54 3.42 -22.59 24.52 2.45 -20.95 11.97 41.28 84.18 13.37 41.01 85.80 coo 20.72 -0.76 -11.60 18.80 -1.24 -12.34 6.06 51.55 88.92 5.14 51.51 86.98 coo 22.24 -3.13 -20.79 20.78 -1.47 -19.04 3.04 43.26 82.65 0.35 43.27 81.65 ULMN 3 1a4s_c03 BETAINE ALDEHYDE DEHYDROGENASE user 2 3 # 2 D 166 ASN B 80 ASN^? 19.82 O1 SO4 B 229 D 263 GLU B 87 GLU^? 17.71 O1 SO4 B 229 D 297 CYH B 83 CYH^? 19.47 O1 SO4 B 229 coo 25.54 3.42 -22.59 24.52 2.45 -20.95 3.85 5.87 90.55 4.56 5.40 92.56 coo 20.72 -0.76 -11.60 18.80 -1.24 -12.34 10.05 8.18 103.44 9.48 6.19 103.45 coo 22.24 -3.13 -20.79 20.78 -1.47 -19.04 8.55 9.56 94.41 11.41 9.29 94.50 1a4s_c03 source 1a4s BETAINE ALDEHYDE DEHYDROGENASE : 2 hits 1a4s_c03 naa= 3 ULMN 3 1ab4_c00 GYRASE A user 1 3 # 1 32 ARG A 218 ARG^? -3.99 O3 SO4 A 230s 78 HIS A 215 HIS^? -3.69 O3 SO4 A 230s 122 TYR A 63 TYR^? 12.02 O3 SO4 A 229 coo 48.32 72.26 30.89 48.69 69.28 31.53 -18.37 44.02 103.00 -17.96 43.09 100.10 coo 53.63 68.24 34.99 53.08 69.10 33.16 -13.92 40.67 99.66 -13.69 38.69 100.32 coo 75.01 61.87 32.93 75.34 59.26 31.96 4.07 31.35 91.04 5.31 30.23 93.28 ULMN 3 1ab4_c00 GYRASE A user 2 3 # 2 32 ARG B 218 ARG^? 24.95 O1 SO4 B 229 78 HIS B 215 HIS^? 20.82 O1 SO4 B 229 122 TYR B 63 TYR^? 12.59 O4 SO4 B 229 coo 48.32 72.26 30.89 48.69 69.28 31.53 19.88 22.79 118.45 20.69 21.06 116.02 coo 53.63 68.24 34.99 53.08 69.10 33.16 17.61 22.77 112.56 17.48 24.80 112.05 coo 75.01 61.87 32.93 75.34 59.26 31.96 6.08 23.92 93.84 4.01 25.72 94.40 1ab4_c00 source 1ab4 GYRASE A : 2 hits 1ab4_c00 naa= 3 ULMN 3 1aj0_c00 DIHYDROPTEROATE SYNTHASE user 1 3 # 1 22 ASN A 108 ASN^? 31.71 O1 SO4 A 229 63 ARG A 102 ARG^? 26.30 O1 SO4 A 229 255 ARG A 111 ARG^? 23.82 O1 SO4 A 229 coo 42.10 13.02 11.14 41.85 11.12 10.23 23.42 63.46 112.90 25.40 64.20 113.21 coo 44.36 11.24 3.39 41.81 12.78 4.00 20.87 56.76 118.88 22.55 56.51 116.31 coo 38.40 3.83 10.26 40.02 6.30 9.25 27.79 53.22 110.53 27.99 50.20 111.12 1aj0_c00 source 1aj0 DIHYDROPTEROATE SYNTHASE : 1 hits 1aj0_c00 naa= 3 ULMN 3 1aj8_c00 CITRATE SYNTHASE user 1 3 # 1 A 223 HIS A 210 HIS^? 9.95 O1 SO4 A 230 A 262 HIS A 215 HIS^? -3.69 O3 SO4 A 230s A 312 ASP A 208 ASP^? 7.66 O1 SO4 A 230 coo 29.33 36.13 69.70 30.07 34.20 70.11 -16.02 49.92 93.97 -17.27 50.59 95.51 coo 38.54 36.60 66.38 37.88 34.77 67.15 -13.92 40.67 99.66 -13.69 38.69 100.32 coo 30.62 37.23 61.07 30.08 35.73 62.49 -15.69 43.98 89.75 -16.79 45.74 90.29 1aj8_c00 source 1aj8 CITRATE SYNTHASE : 1 hits 1aj8_c00 naa= 3 ULMN 3 1aj8_c01 CITRATE SYNTHASE user 1 3 # 1 B 223 HIS A 210 HIS^? 9.95 O1 SO4 A 230 B 262 HIS A 215 HIS^? -3.69 O3 SO4 A 230s B 312 ASP A 208 ASP^? 7.66 O1 SO4 A 230 coo 23.86 29.50 91.20 24.12 31.58 91.00 -16.02 49.92 93.97 -17.27 50.59 95.51 coo 29.35 31.42 99.15 28.72 33.09 98.04 -13.92 40.67 99.66 -13.69 38.69 100.32 coo 20.42 28.25 99.26 20.25 29.62 97.63 -15.69 43.98 89.75 -16.79 45.74 90.29 1aj8_c01 source 1aj8 CITRATE SYNTHASE : 1 hits 1aj8_c01 naa= 3 ULMN 3 1al6_c00 CITRATE SYNTHASE user 1 3 # 1 274 HIS A 210 HIS^? 9.95 O1 SO4 A 230 320 HIS A 215 HIS^? -3.69 O3 SO4 A 230s 375 ASP A 208 ASP^? 7.66 O1 SO4 A 230 coo 11.08 -2.90 2.00 11.09 -3.48 -0.01 -16.02 49.92 93.97 -17.27 50.59 95.51 coo 17.22 -10.90 1.81 16.10 -10.23 0.18 -13.92 40.67 99.66 -13.69 38.69 100.32 coo 20.14 -1.52 3.09 18.48 -1.53 1.77 -15.69 43.98 89.75 -16.79 45.74 90.29 1al6_c00 source 1al6 CITRATE SYNTHASE : 1 hits 1al6_c00 naa= 3 ULMN 3 1am5_c04 PEPSIN user 1 3 # 1 32 ASP A 2 ASP~? 14.67 O2 SO4 A 230 35 SER A -2 SER~? 12.73 O2 SO4 A 230 215 ASP A 39 ASP^? 5.87 O2 SO4 A 230 coo -7.18 8.92 145.10 -8.77 8.81 143.59 -20.15 34.72 83.71 -22.03 35.03 82.80 coo -12.30 10.35 145.24 -10.75 8.55 145.88 -23.89 33.29 87.49 -25.22 35.21 86.74 coo -8.20 12.64 138.30 -8.86 10.97 139.38 -16.67 33.15 92.05 -17.20 32.80 93.99 ULMN 3 1am5_c04 PEPSIN user 2 3 # 2 32 ASP A 115 ASP^? 8.58 O1 SO4 A 229 35 SER A 140 SER^? 13.33 O1 SO4 A 229 215 ASP A 138 ASP^? 13.32 O1 SO4 A 229 coo -7.18 8.92 145.10 -8.77 8.81 143.59 15.77 43.56 105.82 15.72 41.47 106.14 coo -12.30 10.35 145.24 -10.75 8.55 145.88 16.67 42.99 109.88 16.46 41.74 111.93 coo -8.20 12.64 138.30 -8.86 10.97 139.38 23.15 43.17 105.53 21.70 41.96 104.55 ULMN 3 1am5_c04 PEPSIN user 3 3 # 3 32 ASP B 115 ASP^? 13.85 O3 SO4 B 229 35 SER B 140 SER^? 18.74 O3 SO4 B 229 215 ASP B 138 ASP^? 17.24 O3 SO4 B 229 coo -7.18 8.92 145.10 -8.77 8.81 143.59 -12.10 21.41 116.25 -11.91 23.51 116.16 coo -12.30 10.35 145.24 -10.75 8.55 145.88 -13.55 22.77 120.12 -12.47 24.15 121.85 coo -8.20 12.64 138.30 -8.86 10.97 139.38 -19.34 21.74 114.74 -17.84 23.07 113.94 1am5_c04 source 1am5 PEPSIN : 3 hits 1am5_c04 naa= 3 ULMN 3 1amy_c01 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 1 3 # 1 179 ASP A 2 ASP~? 14.67 O2 SO4 A 230 214 ASP B 138 ASP^? 17.24 O3 SO4 B 229 289 ASP A 39 ASP^? 5.87 O2 SO4 A 230 coo -0.62 65.95 29.97 0.31 67.47 31.05 -20.15 34.72 83.71 -22.03 35.03 82.80 coo 26.86 59.76 46.36 25.42 58.23 45.92 -19.34 21.74 114.74 -17.84 23.07 113.94 coo 9.42 68.07 30.27 7.35 68.27 30.10 -16.67 33.15 92.05 -17.20 32.80 93.99 ULMN 3 1amy_c01 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 2 3 # 2 179 ASP A 11 ASP.? 21.96 O2 SO4 A 231 214 ASP A 120 ASP^? 7.17 O2 SO4 A 229 289 ASP A 196 ASP^? 13.16 O4 SO4 A 231 coo -0.62 65.95 29.97 0.31 67.47 31.05 -4.20 26.29 77.28 -4.78 26.04 75.24 coo 26.86 59.76 46.36 25.42 58.23 45.92 9.29 47.78 99.49 7.80 47.36 98.01 coo 9.42 68.07 30.27 7.35 68.27 30.10 1.09 35.34 80.24 -0.14 33.75 80.95 ULMN 3 1amy_c01 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 3 3 # 3 179 ASP A 39 ASP^? 5.87 O2 SO4 A 230 214 ASP A 120 ASP^? 7.17 O2 SO4 A 229 289 ASP A 208 ASP^? 7.66 O1 SO4 A 230 coo -0.62 65.95 29.97 0.31 67.47 31.05 -16.67 33.15 92.05 -17.20 32.80 93.99 coo 26.86 59.76 46.36 25.42 58.23 45.92 9.29 47.78 99.49 7.80 47.36 98.01 coo 9.42 68.07 30.27 7.35 68.27 30.10 -15.69 43.98 89.75 -16.79 45.74 90.29 ULMN 3 1amy_c01 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 4 3 # 4 179 ASP A 115 ASP^? 8.58 O1 SO4 A 229 214 ASP A 195 ASP^? 8.92 O2 SO4 A 231 289 ASP A 120 ASP^? 7.17 O2 SO4 A 229 coo -0.62 65.95 29.97 0.31 67.47 31.05 15.77 43.56 105.82 15.72 41.47 106.14 coo 26.86 59.76 46.36 25.42 58.23 45.92 4.21 36.83 75.89 5.47 37.96 74.68 coo 9.42 68.07 30.27 7.35 68.27 30.10 9.29 47.78 99.49 7.80 47.36 98.01 ULMN 3 1amy_c01 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 5 3 # 5 179 ASP A 115 ASP^? 8.58 O1 SO4 A 229 214 ASP A 196 ASP^? 13.16 O4 SO4 A 231 289 ASP A 120 ASP^? 7.17 O2 SO4 A 229 coo -0.62 65.95 29.97 0.31 67.47 31.05 15.77 43.56 105.82 15.72 41.47 106.14 coo 26.86 59.76 46.36 25.42 58.23 45.92 1.09 35.34 80.24 -0.14 33.75 80.95 coo 9.42 68.07 30.27 7.35 68.27 30.10 9.29 47.78 99.49 7.80 47.36 98.01 ULMN 3 1amy_c01 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 6 3 # 6 179 ASP A 115 ASP^? 8.58 O1 SO4 A 229 214 ASP B 196 ASP^? 21.51 O1 SO4 B 229 289 ASP A 52 ASP^? 8.69 O1 SO4 A 229 coo -0.62 65.95 29.97 0.31 67.47 31.05 15.77 43.56 105.82 15.72 41.47 106.14 coo 26.86 59.76 46.36 25.42 58.23 45.92 12.23 15.64 88.97 13.40 17.43 88.99 coo 9.42 68.07 30.27 7.35 68.27 30.10 13.74 39.26 94.65 14.56 41.23 94.45 ULMN 3 1amy_c01 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 7 3 # 7 179 ASP A 120 ASP^? 7.17 O2 SO4 A 229 214 ASP B 196 ASP^? 21.51 O1 SO4 B 229 289 ASP A 52 ASP^? 8.69 O1 SO4 A 229 coo -0.62 65.95 29.97 0.31 67.47 31.05 9.29 47.78 99.49 7.80 47.36 98.01 coo 26.86 59.76 46.36 25.42 58.23 45.92 12.23 15.64 88.97 13.40 17.43 88.99 coo 9.42 68.07 30.27 7.35 68.27 30.10 13.74 39.26 94.65 14.56 41.23 94.45 ULMN 3 1amy_c01 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 8 3 # 8 179 ASP A 208 ASP^? 7.66 O1 SO4 A 230 214 ASP B 138 ASP^? 17.24 O3 SO4 B 229 289 ASP A 39 ASP^? 5.87 O2 SO4 A 230 coo -0.62 65.95 29.97 0.31 67.47 31.05 -15.69 43.98 89.75 -16.79 45.74 90.29 coo 26.86 59.76 46.36 25.42 58.23 45.92 -19.34 21.74 114.74 -17.84 23.07 113.94 coo 9.42 68.07 30.27 7.35 68.27 30.10 -16.67 33.15 92.05 -17.20 32.80 93.99 ULMN 3 1amy_c01 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 9 3 # 9 179 ASP B 115 ASP^? 13.85 O3 SO4 B 229 214 ASP B 64 ASP^? 18.27 O3 SO4 A 231 289 ASP B 120 ASP^? 8.68 O3 SO4 B 229 coo -0.62 65.95 29.97 0.31 67.47 31.05 -12.10 21.41 116.25 -11.91 23.51 116.16 coo 26.86 59.76 46.36 25.42 58.23 45.92 12.23 21.46 92.76 12.58 23.03 91.40 coo 9.42 68.07 30.27 7.35 68.27 30.10 -4.32 17.92 112.37 -3.28 16.49 113.53 1amy_c01 source 1amy ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE (ALPHA-AMY: 9 hits 1amy_c01 naa= 3 ULMN 3 1amy_c05 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 1 3 # 1 179 ASP A 133 ASP^? 29.47 O1 SO4 A 229 204 GLU A 135 GLU^? 26.04 O1 SO4 A 229 289 ASP A 154 ASP^? 25.59 O1 SO4 A 229 coo -0.62 65.95 29.97 0.31 67.47 31.05 28.68 60.10 102.11 30.08 60.54 100.57 coo 4.34 62.44 32.05 4.22 64.48 32.53 28.90 53.95 105.73 29.85 54.07 107.68 coo 9.42 68.07 30.27 7.35 68.27 30.10 22.41 56.72 112.09 24.50 56.74 112.55 1amy_c05 source 1amy ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE (ALPHA-AMY: 1 hits 1amy_c05 naa= 3 ULMN 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 1 3 # 1 179 ASP A 120 ASP^? 7.17 O2 SO4 A 229 227 GLU A 56 GLU^? 10.40 O3 SO4 A 231 289 ASP A 115 ASP^? 8.58 O1 SO4 A 229 coo -0.62 65.95 29.97 0.31 67.47 31.05 9.29 47.78 99.49 7.80 47.36 98.01 coo 3.96 55.76 41.24 4.83 57.69 41.17 14.22 34.54 89.57 15.78 33.95 90.89 coo 9.42 68.07 30.27 7.35 68.27 30.10 15.77 43.56 105.82 15.72 41.47 106.14 ULMN 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 2 3 # 2 179 ASP A 120 ASP^? 7.17 O2 SO4 A 229 227 GLU A 87 GLU^? 17.80 O2 SO4 A 229 289 ASP A 52 ASP^? 8.69 O1 SO4 A 229 coo -0.62 65.95 29.97 0.31 67.47 31.05 9.29 47.78 99.49 7.80 47.36 98.01 coo 3.96 55.76 41.24 4.83 57.69 41.17 -1.36 49.08 88.76 -0.85 50.53 87.31 coo 9.42 68.07 30.27 7.35 68.27 30.10 13.74 39.26 94.65 14.56 41.23 94.45 ULMN 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 3 3 # 3 179 ASP B 120 ASP^? 8.68 O3 SO4 B 229 227 GLU B 187 GLU^? 15.82 O1 SO4 B 229 289 ASP B 126 ASP^? 13.57 O2 SO4 B 229 coo -0.62 65.95 29.97 0.31 67.47 31.05 -4.32 17.92 112.37 -3.28 16.49 113.53 coo 3.96 55.76 41.24 4.83 57.69 41.17 5.79 8.67 109.77 5.71 6.74 108.88 coo 9.42 68.07 30.27 7.35 68.27 30.10 -11.35 10.60 108.40 -13.06 11.59 107.65 ULMN 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 4 3 # 4 179 ASP B 126 ASP^? 13.57 O2 SO4 B 229 227 GLU B 74 GLU^? 16.10 O1 SO4 B 229 289 ASP B 120 ASP^? 8.68 O3 SO4 B 229 coo -0.62 65.95 29.97 0.31 67.47 31.05 -11.35 10.60 108.40 -13.06 11.59 107.65 coo 3.96 55.76 41.24 4.83 57.69 41.17 0.29 5.91 102.04 1.64 4.74 100.89 coo 9.42 68.07 30.27 7.35 68.27 30.10 -4.32 17.92 112.37 -3.28 16.49 113.53 1amy_c06 source 1amy ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE (ALPHA-AMY: 4 hits 1amy_c06 naa= 3 ULMN 3 1apt_c04 ISOVALERYL (IVA)-VAL-VAL-LYSTA-O-ET user 1 3 # 1 E 33 ASP A 2 ASP~? 14.67 O2 SO4 A 230 E 36 SER A -2 SER~? 12.73 O2 SO4 A 230 E 213 ASP A 39 ASP^? 5.87 O2 SO4 A 230 coo 26.30 12.96 16.78 25.46 12.99 18.72 -20.15 34.72 83.71 -22.03 35.03 82.80 coo 28.33 15.15 21.27 28.70 13.12 19.97 -23.89 33.29 87.49 -25.22 35.21 86.74 coo 20.15 16.04 19.79 21.65 14.49 19.86 -16.67 33.15 92.05 -17.20 32.80 93.99 ULMN 3 1apt_c04 ISOVALERYL (IVA)-VAL-VAL-LYSTA-O-ET user 2 3 # 2 E 33 ASP A 115 ASP^? 8.58 O1 SO4 A 229 E 36 SER A 140 SER^? 13.33 O1 SO4 A 229 E 213 ASP A 138 ASP^? 13.32 O1 SO4 A 229 coo 26.30 12.96 16.78 25.46 12.99 18.72 15.77 43.56 105.82 15.72 41.47 106.14 coo 28.33 15.15 21.27 28.70 13.12 19.97 16.67 42.99 109.88 16.46 41.74 111.93 coo 20.15 16.04 19.79 21.65 14.49 19.86 23.15 43.17 105.53 21.70 41.96 104.55 ULMN 3 1apt_c04 ISOVALERYL (IVA)-VAL-VAL-LYSTA-O-ET user 3 3 # 3 E 33 ASP B 115 ASP^? 13.85 O3 SO4 B 229 E 36 SER B 140 SER^? 18.74 O3 SO4 B 229 E 213 ASP B 138 ASP^? 17.24 O3 SO4 B 229 coo 26.30 12.96 16.78 25.46 12.99 18.72 -12.10 21.41 116.25 -11.91 23.51 116.16 coo 28.33 15.15 21.27 28.70 13.12 19.97 -13.55 22.77 120.12 -12.47 24.15 121.85 coo 20.15 16.04 19.79 21.65 14.49 19.86 -19.34 21.74 114.74 -17.84 23.07 113.94 1apt_c04 source 1apt ISOVALERYL (IVA)-VAL-VAL-LYSTA-O-ET (LYSTA IS : 3 hits 1apt_c04 naa= 3 ULMN 3 1aq2_c00 PHOSPHOENOLPYRUVATE CARBOXYKINASE user 1 3 # 1 232 HIS A 97 HIS^? 10.66 O4 SO4 A 229 254 LYS A 122 LYS^? 10.06 O1 SO4 A 229 333 ARG A 181 ARG^? 20.14 O2 SO4 A 229 coo 28.11 -1.15 8.51 29.21 0.63 8.34 7.24 52.04 104.47 6.71 50.18 103.67 coo 26.09 4.87 14.60 27.89 3.33 10.26 16.00 48.82 99.35 17.27 43.58 96.56 coo 37.35 7.47 11.84 34.90 6.11 10.60 10.24 57.36 93.50 12.83 58.20 92.12 ULMN 3 1aq2_c00 PHOSPHOENOLPYRUVATE CARBOXYKINASE user 2 3 # 2 232 HIS B 97 HIS^? 12.49 O3 SO4 B 229 254 LYS B 122 LYS^? 11.60 O2 SO4 B 229 333 ARG B 181 ARG^? 17.91 O2 SO4 B 229 coo 28.11 -1.15 8.51 29.21 0.63 8.34 -3.31 12.76 116.75 -2.66 14.35 115.55 coo 26.09 4.87 14.60 27.89 3.33 10.26 -10.43 15.56 110.86 -13.65 15.21 106.31 coo 37.35 7.47 11.84 34.90 6.11 10.60 -4.90 4.22 106.56 -7.80 3.62 107.30 1aq2_c00 source 1aq2 PHOSPHOENOLPYRUVATE CARBOXYKINASE : 2 hits 1aq2_c00 naa= 3 ULMN 3 1aql_c02 BILE-SALT ACTIVATED LIPASE user 1 3 # 1 A 194 SER A 32 SER^? 6.95 O3 SO4 A 230 A 292 ASP B 52 ASP^? 8.63 O2 SO4 B 229 A 322 HIS A 210 HIS^? 9.95 O1 SO4 A 230 coo 36.34 32.23 39.60 36.43 34.62 39.93 -9.65 37.25 100.15 -11.63 37.02 101.57 coo 19.73 19.18 41.39 21.50 18.65 40.34 -5.20 17.74 96.96 -6.16 15.91 97.49 coo 41.69 45.14 46.60 41.78 47.19 46.18 -16.02 49.92 93.97 -17.27 50.59 95.51 ULMN 3 1aql_c02 BILE-SALT ACTIVATED LIPASE user 2 3 # 2 A 194 SER A 32 SER^? 6.95 O3 SO4 A 230 A 292 ASP B 115 ASP^? 13.85 O3 SO4 B 229 A 322 HIS A 210 HIS^? 9.95 O1 SO4 A 230 coo 36.34 32.23 39.60 36.43 34.62 39.93 -9.65 37.25 100.15 -11.63 37.02 101.57 coo 19.73 19.18 41.39 21.50 18.65 40.34 -12.10 21.41 116.25 -11.91 23.51 116.16 coo 41.69 45.14 46.60 41.78 47.19 46.18 -16.02 49.92 93.97 -17.27 50.59 95.51 ULMN 3 1aql_c02 BILE-SALT ACTIVATED LIPASE user 3 3 # 3 A 194 SER A 118 SER^? 6.22 O1 SO4 A 229 A 292 ASP A 152 ASP^? 26.69 O1 SO4 A 229 A 322 HIS A 47 HIS^? 9.70 O3 SO4 A 229 coo 36.34 32.23 39.60 36.43 34.62 39.93 12.94 43.53 101.47 11.74 45.37 102.38 coo 19.73 19.18 41.39 21.50 18.65 40.34 26.30 50.40 115.87 28.14 49.86 116.76 coo 41.69 45.14 46.60 41.78 47.19 46.18 0.48 32.34 101.22 -1.58 32.73 101.11 ULMN 3 1aql_c02 BILE-SALT ACTIVATED LIPASE user 4 3 # 4 A 194 SER A 118 SER^? 6.22 O1 SO4 A 229 A 292 ASP A 152 ASP^? 26.69 O1 SO4 A 229 A 322 HIS B 47 HIS^? 9.69 O4 SO4 B 229 coo 36.34 32.23 39.60 36.43 34.62 39.93 12.94 43.53 101.47 11.74 45.37 102.38 coo 19.73 19.18 41.39 21.50 18.65 40.34 26.30 50.40 115.87 28.14 49.86 116.76 coo 41.69 45.14 46.60 41.78 47.19 46.18 4.75 28.44 103.45 6.59 28.31 104.44 ULMN 3 1aql_c02 BILE-SALT ACTIVATED LIPASE user 5 3 # 5 A 194 SER A 118 SER^? 6.22 O1 SO4 A 229 A 292 ASP A 154 ASP^? 25.59 O1 SO4 A 229 A 322 HIS A 47 HIS^? 9.70 O3 SO4 A 229 coo 36.34 32.23 39.60 36.43 34.62 39.93 12.94 43.53 101.47 11.74 45.37 102.38 coo 19.73 19.18 41.39 21.50 18.65 40.34 22.41 56.72 112.09 24.50 56.74 112.55 coo 41.69 45.14 46.60 41.78 47.19 46.18 0.48 32.34 101.22 -1.58 32.73 101.11 ULMN 3 1aql_c02 BILE-SALT ACTIVATED LIPASE user 6 3 # 6 A 194 SER A 118 SER^? 6.22 O1 SO4 A 229 A 292 ASP A 154 ASP^? 25.59 O1 SO4 A 229 A 322 HIS B 47 HIS^? 9.69 O4 SO4 B 229 coo 36.34 32.23 39.60 36.43 34.62 39.93 12.94 43.53 101.47 11.74 45.37 102.38 coo 19.73 19.18 41.39 21.50 18.65 40.34 22.41 56.72 112.09 24.50 56.74 112.55 coo 41.69 45.14 46.60 41.78 47.19 46.18 4.75 28.44 103.45 6.59 28.31 104.44 ULMN 3 1aql_c02 BILE-SALT ACTIVATED LIPASE user 7 3 # 7 A 194 SER A 118 SER^? 6.22 O1 SO4 A 229 A 292 ASP A 178 ASP^? 26.16 O4 SO4 A 229 A 322 HIS A 47 HIS^? 9.70 O3 SO4 A 229 coo 36.34 32.23 39.60 36.43 34.62 39.93 12.94 43.53 101.47 11.74 45.37 102.38 coo 19.73 19.18 41.39 21.50 18.65 40.34 7.84 65.02 98.85 7.73 66.72 100.09 coo 41.69 45.14 46.60 41.78 47.19 46.18 0.48 32.34 101.22 -1.58 32.73 101.11 ULMN 3 1aql_c02 BILE-SALT ACTIVATED LIPASE user 8 3 # 8 A 194 SER B 32 SER^? 18.05 O1 SO4 B 229 A 292 ASP A 52 ASP^? 8.69 O1 SO4 A 229 A 322 HIS B 210 HIS^? 25.92 O1 SO4 B 229 coo 36.34 32.23 39.60 36.43 34.62 39.93 14.02 25.45 109.10 14.28 25.64 111.53 coo 19.73 19.18 41.39 21.50 18.65 40.34 13.74 39.26 94.65 14.56 41.23 94.45 coo 41.69 45.14 46.60 41.78 47.19 46.18 21.10 10.94 112.67 20.59 9.01 113.37 ULMN 3 1aql_c02 BILE-SALT ACTIVATED LIPASE user 9 3 # 9 A 194 SER B 32 SER^? 18.05 O1 SO4 B 229 A 292 ASP A 138 ASP^? 13.32 O1 SO4 A 229 A 322 HIS B 210 HIS^? 25.92 O1 SO4 B 229 coo 36.34 32.23 39.60 36.43 34.62 39.93 14.02 25.45 109.10 14.28 25.64 111.53 coo 19.73 19.18 41.39 21.50 18.65 40.34 23.15 43.17 105.53 21.70 41.96 104.55 coo 41.69 45.14 46.60 41.78 47.19 46.18 21.10 10.94 112.67 20.59 9.01 113.37 ULMN 3 1aql_c02 BILE-SALT ACTIVATED LIPASE user 10 3 # 10 A 194 SER B 69 SER^? 7.59 O1 SO4 B 229 A 292 ASP B 178 ASP^? 25.38 O3 SO4 B 229 A 322 HIS B 47 HIS^? 9.69 O4 SO4 B 229 coo 36.34 32.23 39.60 36.43 34.62 39.93 2.50 13.30 105.34 0.09 12.83 105.70 coo 19.73 19.18 41.39 21.50 18.65 40.34 -4.63 -0.65 116.57 -5.43 -2.30 115.50 coo 41.69 45.14 46.60 41.78 47.19 46.18 4.75 28.44 103.45 6.59 28.31 104.44 ULMN 3 1aql_c02 BILE-SALT ACTIVATED LIPASE user 11 3 # 11 A 194 SER B 116 SER^? 14.92 O3 SO4 B 229 A 292 ASP A 39 ASP^? 5.87 O2 SO4 A 230 A 322 HIS B 97 HIS^? 12.49 O3 SO4 B 229 coo 36.34 32.23 39.60 36.43 34.62 39.93 -14.36 21.91 112.03 -15.99 23.77 112.13 coo 19.73 19.18 41.39 21.50 18.65 40.34 -16.67 33.15 92.05 -17.20 32.80 93.99 coo 41.69 45.14 46.60 41.78 47.19 46.18 -3.31 12.76 116.75 -2.66 14.35 115.55 ULMN 3 1aql_c02 BILE-SALT ACTIVATED LIPASE user 12 3 # 12 A 194 SER B 116 SER^? 14.92 O3 SO4 B 229 A 292 ASP A 39 ASP^? 5.87 O2 SO4 A 230 A 322 HIS B 142 HIS^? 20.91 O3 SO4 B 229 coo 36.34 32.23 39.60 36.43 34.62 39.93 -14.36 21.91 112.03 -15.99 23.77 112.13 coo 19.73 19.18 41.39 21.50 18.65 40.34 -16.67 33.15 92.05 -17.20 32.80 93.99 coo 41.69 45.14 46.60 41.78 47.19 46.18 -10.19 23.71 125.79 -8.10 23.78 126.04 1aql_c02 source 1aql BILE-SALT ACTIVATED LIPASE : 12 hits 1aql_c02 naa= 3 ULMN 3 1aql_c03 BILE-SALT ACTIVATED LIPASE user 1 3 # 1 B 194 SER A 32 SER^? 6.95 O3 SO4 A 230 B 292 ASP B 52 ASP^? 8.63 O2 SO4 B 229 B 322 HIS A 210 HIS^? 9.95 O1 SO4 A 230 coo 35.42 71.28 22.94 36.24 69.06 22.37 -9.65 37.25 100.15 -11.63 37.02 101.57 coo 24.74 78.07 5.59 24.32 79.03 7.46 -5.20 17.74 96.96 -6.16 15.91 97.49 coo 48.81 64.16 26.34 49.30 62.16 26.73 -16.02 49.92 93.97 -17.27 50.59 95.51 ULMN 3 1aql_c03 BILE-SALT ACTIVATED LIPASE user 2 3 # 2 B 194 SER A 32 SER^? 6.95 O3 SO4 A 230 B 292 ASP B 115 ASP^? 13.85 O3 SO4 B 229 B 322 HIS A 210 HIS^? 9.95 O1 SO4 A 230 coo 35.42 71.28 22.94 36.24 69.06 22.37 -9.65 37.25 100.15 -11.63 37.02 101.57 coo 24.74 78.07 5.59 24.32 79.03 7.46 -12.10 21.41 116.25 -11.91 23.51 116.16 coo 48.81 64.16 26.34 49.30 62.16 26.73 -16.02 49.92 93.97 -17.27 50.59 95.51 ULMN 3 1aql_c03 BILE-SALT ACTIVATED LIPASE user 3 3 # 3 B 194 SER A 32 SER^? 6.95 O3 SO4 A 230 B 292 ASP B 138 ASP^? 17.24 O3 SO4 B 229 B 322 HIS A 210 HIS^? 9.95 O1 SO4 A 230 coo 35.42 71.28 22.94 36.24 69.06 22.37 -9.65 37.25 100.15 -11.63 37.02 101.57 coo 24.74 78.07 5.59 24.32 79.03 7.46 -19.34 21.74 114.74 -17.84 23.07 113.94 coo 48.81 64.16 26.34 49.30 62.16 26.73 -16.02 49.92 93.97 -17.27 50.59 95.51 ULMN 3 1aql_c03 BILE-SALT ACTIVATED LIPASE user 4 3 # 4 B 194 SER A 116 SER^? 11.78 O1 SO4 A 229 B 292 ASP B 64 ASP^? 18.27 O3 SO4 A 231 B 322 HIS A 97 HIS^? 10.66 O4 SO4 A 229 coo 35.42 71.28 22.94 36.24 69.06 22.37 18.28 42.17 102.02 20.63 41.74 101.81 coo 24.74 78.07 5.59 24.32 79.03 7.46 12.23 21.46 92.76 12.58 23.03 91.40 coo 48.81 64.16 26.34 49.30 62.16 26.73 7.24 52.04 104.47 6.71 50.18 103.67 ULMN 3 1aql_c03 BILE-SALT ACTIVATED LIPASE user 5 3 # 5 B 194 SER A 118 SER^? 6.22 O1 SO4 A 229 B 292 ASP A 152 ASP^? 26.69 O1 SO4 A 229 B 322 HIS A 47 HIS^? 9.70 O3 SO4 A 229 coo 35.42 71.28 22.94 36.24 69.06 22.37 12.94 43.53 101.47 11.74 45.37 102.38 coo 24.74 78.07 5.59 24.32 79.03 7.46 26.30 50.40 115.87 28.14 49.86 116.76 coo 48.81 64.16 26.34 49.30 62.16 26.73 0.48 32.34 101.22 -1.58 32.73 101.11 ULMN 3 1aql_c03 BILE-SALT ACTIVATED LIPASE user 6 3 # 6 B 194 SER A 118 SER^? 6.22 O1 SO4 A 229 B 292 ASP A 152 ASP^? 26.69 O1 SO4 A 229 B 322 HIS B 47 HIS^? 9.69 O4 SO4 B 229 coo 35.42 71.28 22.94 36.24 69.06 22.37 12.94 43.53 101.47 11.74 45.37 102.38 coo 24.74 78.07 5.59 24.32 79.03 7.46 26.30 50.40 115.87 28.14 49.86 116.76 coo 48.81 64.16 26.34 49.30 62.16 26.73 4.75 28.44 103.45 6.59 28.31 104.44 ULMN 3 1aql_c03 BILE-SALT ACTIVATED LIPASE user 7 3 # 7 B 194 SER A 118 SER^? 6.22 O1 SO4 A 229 B 292 ASP A 178 ASP^? 26.16 O4 SO4 A 229 B 322 HIS A 47 HIS^? 9.70 O3 SO4 A 229 coo 35.42 71.28 22.94 36.24 69.06 22.37 12.94 43.53 101.47 11.74 45.37 102.38 coo 24.74 78.07 5.59 24.32 79.03 7.46 7.84 65.02 98.85 7.73 66.72 100.09 coo 48.81 64.16 26.34 49.30 62.16 26.73 0.48 32.34 101.22 -1.58 32.73 101.11 ULMN 3 1aql_c03 BILE-SALT ACTIVATED LIPASE user 8 3 # 8 B 194 SER B 32 SER^? 18.05 O1 SO4 B 229 B 292 ASP A 52 ASP^? 8.69 O1 SO4 A 229 B 322 HIS B 210 HIS^? 25.92 O1 SO4 B 229 coo 35.42 71.28 22.94 36.24 69.06 22.37 14.02 25.45 109.10 14.28 25.64 111.53 coo 24.74 78.07 5.59 24.32 79.03 7.46 13.74 39.26 94.65 14.56 41.23 94.45 coo 48.81 64.16 26.34 49.30 62.16 26.73 21.10 10.94 112.67 20.59 9.01 113.37 ULMN 3 1aql_c03 BILE-SALT ACTIVATED LIPASE user 9 3 # 9 B 194 SER B 32 SER^? 18.05 O1 SO4 B 229 B 292 ASP A 138 ASP^? 13.32 O1 SO4 A 229 B 322 HIS B 210 HIS^? 25.92 O1 SO4 B 229 coo 35.42 71.28 22.94 36.24 69.06 22.37 14.02 25.45 109.10 14.28 25.64 111.53 coo 24.74 78.07 5.59 24.32 79.03 7.46 23.15 43.17 105.53 21.70 41.96 104.55 coo 48.81 64.16 26.34 49.30 62.16 26.73 21.10 10.94 112.67 20.59 9.01 113.37 ULMN 3 1aql_c03 BILE-SALT ACTIVATED LIPASE user 10 3 # 10 B 194 SER B 116 SER^? 14.92 O3 SO4 B 229 B 292 ASP A 39 ASP^? 5.87 O2 SO4 A 230 B 322 HIS B 97 HIS^? 12.49 O3 SO4 B 229 coo 35.42 71.28 22.94 36.24 69.06 22.37 -14.36 21.91 112.03 -15.99 23.77 112.13 coo 24.74 78.07 5.59 24.32 79.03 7.46 -16.67 33.15 92.05 -17.20 32.80 93.99 coo 48.81 64.16 26.34 49.30 62.16 26.73 -3.31 12.76 116.75 -2.66 14.35 115.55 ULMN 3 1aql_c03 BILE-SALT ACTIVATED LIPASE user 11 3 # 11 B 194 SER B 116 SER^? 14.92 O3 SO4 B 229 B 292 ASP A 39 ASP^? 5.87 O2 SO4 A 230 B 322 HIS B 142 HIS^? 20.91 O3 SO4 B 229 coo 35.42 71.28 22.94 36.24 69.06 22.37 -14.36 21.91 112.03 -15.99 23.77 112.13 coo 24.74 78.07 5.59 24.32 79.03 7.46 -16.67 33.15 92.05 -17.20 32.80 93.99 coo 48.81 64.16 26.34 49.30 62.16 26.73 -10.19 23.71 125.79 -8.10 23.78 126.04 1aql_c03 source 1aql BILE-SALT ACTIVATED LIPASE : 11 hits 1aql_c03 naa= 3 ULMN 3 1asy_c00 TRANSFER RIBONUCLEIC ACID (TRNAASP) user 1 3 # 1 B 325 ARG A 54 ARG^? -2.64 O2 SO4 A 229s B 342 ASP A 120 ASP^? 7.17 O2 SO4 A 229 B 531 ARG A 49 ARG^? -7.08 O1 SO4 A 229s coo 68.60 41.07 -12.62 69.17 40.45 -9.67 5.30 36.31 96.12 6.03 38.74 97.87 coo 73.51 47.41 -3.97 72.62 46.48 -5.62 9.29 47.78 99.49 7.80 47.36 98.01 coo 59.93 41.82 -5.59 61.38 39.13 -5.79 10.25 36.07 104.69 11.36 37.50 107.24 ULMN 3 1asy_c00 TRANSFER RIBONUCLEIC ACID (TRNAASP) user 2 3 # 2 B 325 ARG A 54 ARG^? -2.64 O2 SO4 A 229s B 342 ASP A 120 ASP^? 7.17 O2 SO4 A 229 B 531 ARG A 117 ARG^? 9.09 O1 SO4 A 229 coo 68.60 41.07 -12.62 69.17 40.45 -9.67 5.30 36.31 96.12 6.03 38.74 97.87 coo 73.51 47.41 -3.97 72.62 46.48 -5.62 9.29 47.78 99.49 7.80 47.36 98.01 coo 59.93 41.82 -5.59 61.38 39.13 -5.79 15.20 37.23 104.25 15.70 38.54 107.02 ULMN 3 1asy_c00 TRANSFER RIBONUCLEIC ACID (TRNAASP) user 3 3 # 3 B 325 ARG A 136 ARG^? 18.26 O1 SO4 A 229 B 342 ASP A 115 ASP^? 8.58 O1 SO4 A 229 B 531 ARG A 111 ARG^? 23.82 O1 SO4 A 229 coo 68.60 41.07 -12.62 69.17 40.45 -9.67 23.23 51.88 101.29 21.27 53.39 99.53 coo 73.51 47.41 -3.97 72.62 46.48 -5.62 15.77 43.56 105.82 15.72 41.47 106.14 coo 59.93 41.82 -5.59 61.38 39.13 -5.79 27.79 53.22 110.53 27.99 50.20 111.12 ULMN 3 1asy_c00 TRANSFER RIBONUCLEIC ACID (TRNAASP) user 4 3 # 4 B 325 ARG B 49 ARG^? -5.45 O4 SO4 B 229s B 342 ASP B 120 ASP^? 8.68 O3 SO4 B 229 B 531 ARG B 54 ARG^? -2.73 O1 SO4 B 229s coo 68.60 41.07 -12.62 69.17 40.45 -9.67 -5.59 26.20 104.46 -4.44 26.24 107.34 coo 73.51 47.41 -3.97 72.62 46.48 -5.62 -4.32 17.92 112.37 -3.28 16.49 113.53 coo 59.93 41.82 -5.59 61.38 39.13 -5.79 2.04 21.87 100.04 0.47 20.79 102.47 ULMN 3 1asy_c00 TRANSFER RIBONUCLEIC ACID (TRNAASP) user 5 3 # 5 B 325 ARG B 136 ARG^? 16.25 O2 SO4 B 229 B 342 ASP B 115 ASP^? 13.85 O3 SO4 B 229 B 531 ARG B 111 ARG^? 27.08 O3 SO4 B 229 coo 68.60 41.07 -12.62 69.17 40.45 -9.67 -18.31 12.65 112.04 -15.83 11.94 110.39 coo 73.51 47.41 -3.97 72.62 46.48 -5.62 -12.10 21.41 116.25 -11.91 23.51 116.16 coo 59.93 41.82 -5.59 61.38 39.13 -5.79 -24.28 12.69 119.80 -25.14 15.67 120.10 ULMN 3 1asy_c00 TRANSFER RIBONUCLEIC ACID (TRNAASP) user 6 3 # 6 B 325 ARG B 147 ARG^? 25.99 O3 SO4 B 229 B 342 ASP B 115 ASP^? 13.85 O3 SO4 B 229 B 531 ARG B 111 ARG^? 27.08 O3 SO4 B 229 coo 68.60 41.07 -12.62 69.17 40.45 -9.67 -21.61 19.82 125.35 -22.38 21.70 123.03 coo 73.51 47.41 -3.97 72.62 46.48 -5.62 -12.10 21.41 116.25 -11.91 23.51 116.16 coo 59.93 41.82 -5.59 61.38 39.13 -5.79 -24.28 12.69 119.80 -25.14 15.67 120.10 1asy_c00 source 1asy TRANSFER RIBONUCLEIC ACID (TRNAASP) : 6 hits 1asy_c00 naa= 3 ULMN 3 1asy_c01 TRANSFER RIBONUCLEIC ACID (TRNAASP) user 1 3 # 1 A 325 ARG A 54 ARG^? -2.64 O2 SO4 A 229s A 342 ASP A 120 ASP^? 7.17 O2 SO4 A 229 A 531 ARG A 49 ARG^? -7.08 O1 SO4 A 229s coo 73.40 61.96 -24.99 72.46 63.92 -22.84 5.30 36.31 96.12 6.03 38.74 97.87 coo 66.77 64.93 -14.03 68.02 64.49 -15.66 9.29 47.78 99.49 7.80 47.36 98.01 coo 80.46 68.51 -18.35 79.98 68.55 -21.36 10.25 36.07 104.69 11.36 37.50 107.24 ULMN 3 1asy_c01 TRANSFER RIBONUCLEIC ACID (TRNAASP) user 2 3 # 2 A 325 ARG A 54 ARG^? -2.64 O2 SO4 A 229s A 342 ASP A 120 ASP^? 7.17 O2 SO4 A 229 A 531 ARG A 117 ARG^? 9.09 O1 SO4 A 229 coo 73.40 61.96 -24.99 72.46 63.92 -22.84 5.30 36.31 96.12 6.03 38.74 97.87 coo 66.77 64.93 -14.03 68.02 64.49 -15.66 9.29 47.78 99.49 7.80 47.36 98.01 coo 80.46 68.51 -18.35 79.98 68.55 -21.36 15.20 37.23 104.25 15.70 38.54 107.02 ULMN 3 1asy_c01 TRANSFER RIBONUCLEIC ACID (TRNAASP) user 3 3 # 3 A 325 ARG A 136 ARG^? 18.26 O1 SO4 A 229 A 342 ASP A 115 ASP^? 8.58 O1 SO4 A 229 A 531 ARG A 111 ARG^? 23.82 O1 SO4 A 229 coo 73.40 61.96 -24.99 72.46 63.92 -22.84 23.23 51.88 101.29 21.27 53.39 99.53 coo 66.77 64.93 -14.03 68.02 64.49 -15.66 15.77 43.56 105.82 15.72 41.47 106.14 coo 80.46 68.51 -18.35 79.98 68.55 -21.36 27.79 53.22 110.53 27.99 50.20 111.12 ULMN 3 1asy_c01 TRANSFER RIBONUCLEIC ACID (TRNAASP) user 4 3 # 4 A 325 ARG B 49 ARG^? -5.45 O4 SO4 B 229s A 342 ASP B 120 ASP^? 8.68 O3 SO4 B 229 A 531 ARG B 54 ARG^? -2.73 O1 SO4 B 229s coo 73.40 61.96 -24.99 72.46 63.92 -22.84 -5.59 26.20 104.46 -4.44 26.24 107.34 coo 66.77 64.93 -14.03 68.02 64.49 -15.66 -4.32 17.92 112.37 -3.28 16.49 113.53 coo 80.46 68.51 -18.35 79.98 68.55 -21.36 2.04 21.87 100.04 0.47 20.79 102.47 ULMN 3 1asy_c01 TRANSFER RIBONUCLEIC ACID (TRNAASP) user 5 3 # 5 A 325 ARG B 136 ARG^? 16.25 O2 SO4 B 229 A 342 ASP B 115 ASP^? 13.85 O3 SO4 B 229 A 531 ARG B 111 ARG^? 27.08 O3 SO4 B 229 coo 73.40 61.96 -24.99 72.46 63.92 -22.84 -18.31 12.65 112.04 -15.83 11.94 110.39 coo 66.77 64.93 -14.03 68.02 64.49 -15.66 -12.10 21.41 116.25 -11.91 23.51 116.16 coo 80.46 68.51 -18.35 79.98 68.55 -21.36 -24.28 12.69 119.80 -25.14 15.67 120.10 ULMN 3 1asy_c01 TRANSFER RIBONUCLEIC ACID (TRNAASP) user 6 3 # 6 A 325 ARG B 181 ARG^? 17.91 O2 SO4 B 229 A 342 ASP B 120 ASP^? 8.68 O3 SO4 B 229 A 531 ARG B 70 ARG^? 17.55 O1 SO4 B 229 coo 73.40 61.96 -24.99 72.46 63.92 -22.84 -4.90 4.22 106.56 -7.80 3.62 107.30 coo 66.77 64.93 -14.03 68.02 64.49 -15.66 -4.32 17.92 112.37 -3.28 16.49 113.53 coo 80.46 68.51 -18.35 79.98 68.55 -21.36 4.92 7.16 103.42 6.42 4.45 103.73 1asy_c01 source 1asy TRANSFER RIBONUCLEIC ACID (TRNAASP) : 6 hits 1asy_c01 naa= 3 ULMN 3 1avf_c04 GASTRICSIN user 1 3 # 1 A 32 ASP A 2 ASP~? 14.67 O2 SO4 A 230 A 35 SER A -2 SER~? 12.73 O2 SO4 A 230 A 217 ASP A 39 ASP^? 5.87 O2 SO4 A 230 coo -10.06 2.54 49.69 -8.83 3.73 50.96 -20.15 34.72 83.71 -22.03 35.03 82.80 coo -11.96 5.74 52.90 -10.55 6.74 51.22 -23.89 33.29 87.49 -25.22 35.21 86.74 coo -5.22 1.43 56.08 -5.36 2.84 54.49 -16.67 33.15 92.05 -17.20 32.80 93.99 ULMN 3 1avf_c04 GASTRICSIN user 2 3 # 2 A 32 ASP A 115 ASP^? 8.58 O1 SO4 A 229 A 35 SER A 140 SER^? 13.33 O1 SO4 A 229 A 217 ASP A 138 ASP^? 13.32 O1 SO4 A 229 coo -10.06 2.54 49.69 -8.83 3.73 50.96 15.77 43.56 105.82 15.72 41.47 106.14 coo -11.96 5.74 52.90 -10.55 6.74 51.22 16.67 42.99 109.88 16.46 41.74 111.93 coo -5.22 1.43 56.08 -5.36 2.84 54.49 23.15 43.17 105.53 21.70 41.96 104.55 ULMN 3 1avf_c04 GASTRICSIN user 3 3 # 3 A 32 ASP B 115 ASP^? 13.85 O3 SO4 B 229 A 35 SER B 140 SER^? 18.74 O3 SO4 B 229 A 217 ASP B 138 ASP^? 17.24 O3 SO4 B 229 coo -10.06 2.54 49.69 -8.83 3.73 50.96 -12.10 21.41 116.25 -11.91 23.51 116.16 coo -11.96 5.74 52.90 -10.55 6.74 51.22 -13.55 22.77 120.12 -12.47 24.15 121.85 coo -5.22 1.43 56.08 -5.36 2.84 54.49 -19.34 21.74 114.74 -17.84 23.07 113.94 1avf_c04 source 1avf GASTRICSIN : 3 hits 1avf_c04 naa= 3 ULMN 3 1avf_c05 GASTRICSIN user 1 3 # 1 J 32 ASP A 2 ASP~? 14.67 O2 SO4 A 230 J 35 SER A -2 SER~? 12.73 O2 SO4 A 230 J 217 ASP A 39 ASP^? 5.87 O2 SO4 A 230 coo -37.57 -17.54 20.53 -38.55 -18.66 19.00 -20.15 34.72 83.71 -22.03 35.03 82.80 coo -40.93 -20.91 21.81 -38.85 -21.36 20.65 -23.89 33.29 87.49 -25.22 35.21 86.74 coo -43.00 -16.46 14.92 -41.37 -17.71 15.28 -16.67 33.15 92.05 -17.20 32.80 93.99 ULMN 3 1avf_c05 GASTRICSIN user 2 3 # 2 J 32 ASP A 115 ASP^? 8.58 O1 SO4 A 229 J 35 SER A 140 SER^? 13.33 O1 SO4 A 229 J 217 ASP A 138 ASP^? 13.32 O1 SO4 A 229 coo -37.57 -17.54 20.53 -38.55 -18.66 19.00 15.77 43.56 105.82 15.72 41.47 106.14 coo -40.93 -20.91 21.81 -38.85 -21.36 20.65 16.67 42.99 109.88 16.46 41.74 111.93 coo -43.00 -16.46 14.92 -41.37 -17.71 15.28 23.15 43.17 105.53 21.70 41.96 104.55 ULMN 3 1avf_c05 GASTRICSIN user 3 3 # 3 J 32 ASP B 115 ASP^? 13.85 O3 SO4 B 229 J 35 SER B 140 SER^? 18.74 O3 SO4 B 229 J 217 ASP B 138 ASP^? 17.24 O3 SO4 B 229 coo -37.57 -17.54 20.53 -38.55 -18.66 19.00 -12.10 21.41 116.25 -11.91 23.51 116.16 coo -40.93 -20.91 21.81 -38.85 -21.36 20.65 -13.55 22.77 120.12 -12.47 24.15 121.85 coo -43.00 -16.46 14.92 -41.37 -17.71 15.28 -19.34 21.74 114.74 -17.84 23.07 113.94 1avf_c05 source 1avf GASTRICSIN : 3 hits 1avf_c05 naa= 3 ULMN 3 1ax4_c04 TRYPTOPHANASE user 1 3 # 1 A 130 PHE A 182 PHE^? 17.55 O4 SO4 A 229 A 223 ASP A 126 ASP^? 16.24 O1 SO4 A 229 A 265 LYS A 110 LYS^? 28.35 O1 SO4 A 229 coo 39.74 52.86 65.74 41.15 55.14 66.52 8.69 57.42 100.07 11.38 58.23 99.98 coo 30.70 47.50 67.53 29.83 49.47 67.39 18.12 53.54 96.53 19.31 51.77 96.80 coo 19.99 54.53 64.11 20.55 58.78 68.33 25.55 58.06 108.35 29.49 58.97 105.77 1ax4_c04 source 1ax4 TRYPTOPHANASE : 1 hits 1ax4_c04 naa= 3 ULMN 3 1ax4_c05 TRYPTOPHANASE user 1 3 # 1 B 130 PHE A 182 PHE^? 17.55 O4 SO4 A 229 B 223 ASP A 126 ASP^? 16.24 O1 SO4 A 229 B 265 LYS A 110 LYS^? 28.35 O1 SO4 A 229 coo 7.48 54.94 99.62 7.67 52.27 100.42 8.69 57.42 100.07 11.38 58.23 99.98 coo 10.43 61.66 91.81 9.80 60.04 90.61 18.12 53.54 96.53 19.31 51.77 96.80 coo 5.43 58.06 80.08 8.57 53.00 79.37 25.55 58.06 108.35 29.49 58.97 105.77 1ax4_c05 source 1ax4 TRYPTOPHANASE : 1 hits 1ax4_c05 naa= 3 ULMN 3 1ax4_c06 TRYPTOPHANASE user 1 3 # 1 C 130 PHE A 182 PHE^? 17.55 O4 SO4 A 229 C 223 ASP A 126 ASP^? 16.24 O1 SO4 A 229 C 265 LYS A 110 LYS^? 28.35 O1 SO4 A 229 coo -6.55 73.45 23.60 -6.77 71.48 21.66 8.69 57.42 100.07 11.38 58.23 99.98 coo -9.52 75.74 33.62 -8.85 73.74 33.93 18.12 53.54 96.53 19.31 51.77 96.80 coo -4.44 67.20 42.32 -7.50 62.41 40.49 25.55 58.06 108.35 29.49 58.97 105.77 1ax4_c06 source 1ax4 TRYPTOPHANASE : 1 hits 1ax4_c06 naa= 3 ULMN 3 1ax4_c07 TRYPTOPHANASE user 1 3 # 1 D 130 PHE A 182 PHE^? 17.55 O4 SO4 A 229 D 223 ASP A 126 ASP^? 16.24 O1 SO4 A 229 D 265 LYS A 110 LYS^? 28.35 O1 SO4 A 229 coo -38.60 55.38 52.70 -40.06 57.72 53.04 8.69 57.42 100.07 11.38 58.23 99.98 coo -29.46 51.67 48.51 -28.63 53.31 49.56 18.12 53.54 96.53 19.31 51.77 96.80 coo -18.87 56.53 54.79 -19.47 62.22 53.03 25.55 58.06 108.35 29.49 58.97 105.77 1ax4_c07 source 1ax4 TRYPTOPHANASE : 1 hits 1ax4_c07 naa= 3 ULMN 3 1azy_c00 THYMIDINE PHOSPHORYLASE user 1 3 # 1 A 85 HIS A 210 HIS^? 9.95 O1 SO4 A 230 A 171 ARG A 70 ARG^? 17.64 O2 SO4 A 229 A 190 LYS A 209 LYS^? -15.38 O1 SO4 A 230s coo 22.59 2.26 43.22 21.17 3.47 42.27 -16.02 49.92 93.97 -17.27 50.59 95.51 coo 13.63 3.81 28.83 14.49 2.91 31.59 2.37 50.83 90.43 1.13 53.29 89.13 coo 24.97 7.47 37.69 21.24 10.69 35.89 -11.65 46.61 90.96 -7.59 51.79 90.86 ULMN 3 1azy_c00 THYMIDINE PHOSPHORYLASE user 2 3 # 2 A 85 HIS A 215 HIS^? -3.69 O3 SO4 A 230s A 171 ARG B 49 ARG^? -5.45 O4 SO4 B 229s A 190 LYS A 35 LYS^? 11.43 O2 SO4 A 230 coo 22.59 2.26 43.22 21.17 3.47 42.27 -13.92 40.67 99.66 -13.69 38.69 100.32 coo 13.63 3.81 28.83 14.49 2.91 31.59 -5.59 26.20 104.46 -4.44 26.24 107.34 coo 24.97 7.47 37.69 21.24 10.69 35.89 -9.76 35.16 95.20 -10.16 29.64 98.57 ULMN 3 1azy_c00 THYMIDINE PHOSPHORYLASE user 3 3 # 3 A 85 HIS B 97 HIS^? 12.49 O3 SO4 B 229 A 171 ARG B 49 ARG^? -5.45 O4 SO4 B 229s A 190 LYS B 122 LYS^? 11.60 O2 SO4 B 229 coo 22.59 2.26 43.22 21.17 3.47 42.27 -3.31 12.76 116.75 -2.66 14.35 115.55 coo 13.63 3.81 28.83 14.49 2.91 31.59 -5.59 26.20 104.46 -4.44 26.24 107.34 coo 24.97 7.47 37.69 21.24 10.69 35.89 -10.43 15.56 110.86 -13.65 15.21 106.31 ULMN 3 1azy_c00 THYMIDINE PHOSPHORYLASE user 4 3 # 4 A 85 HIS B 215 HIS^? 20.82 O1 SO4 B 229 A 171 ARG A 49 ARG^? -7.08 O1 SO4 A 229s A 190 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo 22.59 2.26 43.22 21.17 3.47 42.27 17.61 22.77 112.56 17.48 24.80 112.05 coo 13.63 3.81 28.83 14.49 2.91 31.59 10.25 36.07 104.69 11.36 37.50 107.24 coo 24.97 7.47 37.69 21.24 10.69 35.89 16.47 24.53 104.57 15.75 30.78 103.34 1azy_c00 source 1azy THYMIDINE PHOSPHORYLASE : 4 hits 1azy_c00 naa= 3 ULMN 3 1azy_c01 THYMIDINE PHOSPHORYLASE user 1 3 # 1 B 85 HIS A 210 HIS^? 9.95 O1 SO4 A 230 B 171 ARG A 70 ARG^? 17.64 O2 SO4 A 229 B 190 LYS A 209 LYS^? -15.38 O1 SO4 A 230s coo -6.44 4.86 -3.45 -5.03 5.97 -2.36 -16.02 49.92 93.97 -17.27 50.59 95.51 coo 2.83 4.83 10.84 1.96 4.32 7.97 2.37 50.83 90.43 1.13 53.29 89.13 coo -8.96 9.04 2.88 -5.39 12.11 5.08 -11.65 46.61 90.96 -7.59 51.79 90.86 ULMN 3 1azy_c01 THYMIDINE PHOSPHORYLASE user 2 3 # 2 B 85 HIS A 215 HIS^? -3.69 O3 SO4 A 230s B 171 ARG B 49 ARG^? -5.45 O4 SO4 B 229s B 190 LYS A 35 LYS^? 11.43 O2 SO4 A 230 coo -6.44 4.86 -3.45 -5.03 5.97 -2.36 -13.92 40.67 99.66 -13.69 38.69 100.32 coo 2.83 4.83 10.84 1.96 4.32 7.97 -5.59 26.20 104.46 -4.44 26.24 107.34 coo -8.96 9.04 2.88 -5.39 12.11 5.08 -9.76 35.16 95.20 -10.16 29.64 98.57 ULMN 3 1azy_c01 THYMIDINE PHOSPHORYLASE user 3 3 # 3 B 85 HIS B 97 HIS^? 12.49 O3 SO4 B 229 B 171 ARG B 49 ARG^? -5.45 O4 SO4 B 229s B 190 LYS B 122 LYS^? 11.60 O2 SO4 B 229 coo -6.44 4.86 -3.45 -5.03 5.97 -2.36 -3.31 12.76 116.75 -2.66 14.35 115.55 coo 2.83 4.83 10.84 1.96 4.32 7.97 -5.59 26.20 104.46 -4.44 26.24 107.34 coo -8.96 9.04 2.88 -5.39 12.11 5.08 -10.43 15.56 110.86 -13.65 15.21 106.31 ULMN 3 1azy_c01 THYMIDINE PHOSPHORYLASE user 4 3 # 4 B 85 HIS B 215 HIS^? 20.82 O1 SO4 B 229 B 171 ARG A 49 ARG^? -7.08 O1 SO4 A 229s B 190 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo -6.44 4.86 -3.45 -5.03 5.97 -2.36 17.61 22.77 112.56 17.48 24.80 112.05 coo 2.83 4.83 10.84 1.96 4.32 7.97 10.25 36.07 104.69 11.36 37.50 107.24 coo -8.96 9.04 2.88 -5.39 12.11 5.08 16.47 24.53 104.57 15.75 30.78 103.34 1azy_c01 source 1azy THYMIDINE PHOSPHORYLASE : 4 hits 1azy_c01 naa= 3 ULMN 3 1b02_c01 THYMIDYLATE SYNTHASE user 1 3 # 1 A 161 CYH B 83 CYH^? 19.47 O1 SO4 B 229 A 192 ASN B 80 ASN^? 19.82 O1 SO4 B 229 A 195 GLN B 79 GLN^? 16.47 O1 SO4 B 229 coo -2.78 50.68 10.78 -4.68 50.49 8.71 8.55 9.56 94.41 11.41 9.29 94.50 coo -0.10 43.44 8.03 -1.33 45.05 7.36 3.85 5.87 90.55 4.56 5.40 92.56 coo 3.53 43.81 4.75 2.30 45.38 4.00 -0.64 9.62 90.26 -2.26 10.92 90.79 ULMN 3 1b02_c01 THYMIDYLATE SYNTHASE user 2 3 # 2 A 161 CYH B 83 CYH^? 19.47 O1 SO4 B 229 A 192 ASN B 81 ASN^? 21.04 O1 SO4 B 229 A 195 GLN B 79 GLN^? 16.47 O1 SO4 B 229 coo -2.78 50.68 10.78 -4.68 50.49 8.71 8.55 9.56 94.41 11.41 9.29 94.50 coo -0.10 43.44 8.03 -1.33 45.05 7.36 3.82 11.45 87.98 3.05 10.81 86.07 coo 3.53 43.81 4.75 2.30 45.38 4.00 -0.64 9.62 90.26 -2.26 10.92 90.79 1b02_c01 source 1b02 THYMIDYLATE SYNTHASE : 2 hits 1b02_c01 naa= 3 ULMN 3 1b2m_c01 5'-R(*GP*(CH2)U)-3' user 1 3 # 1 B 40 HIS A 91 HIS^? 17.38 O4 SO4 A 229 B 58 GLU A 96 GLU^? 17.08 O4 SO4 A 229 B 92 HIS A 97 HIS^? 10.66 O4 SO4 A 229 coo 10.74 36.24 16.20 9.81 34.52 16.97 -3.47 53.98 101.75 -2.43 55.80 101.90 coo 5.02 36.40 17.74 5.55 34.41 17.37 1.22 55.68 105.58 1.14 56.60 103.71 coo 0.68 29.04 20.43 2.46 29.56 19.46 7.24 52.04 104.47 6.71 50.18 103.67 1b2m_c01 source 1b2m 5'-R(*GP*(CH2)U)-3' : 1 hits 1b2m_c01 naa= 3 ULMN 3 1b57_c00 FRUCTOSE-BISPHOSPHATE ALDOLASE II user 1 3 # 1 A 109 ASP A 154 ASP^? 25.59 O1 SO4 A 229 A 182 GLU A 135 GLU^? 26.04 O1 SO4 A 229 A 286 ASN A 108 ASN^? 31.71 O1 SO4 A 229 coo 26.03 44.66 108.90 25.67 42.61 108.82 22.41 56.72 112.09 24.50 56.74 112.55 coo 18.06 44.02 105.38 18.08 45.37 107.03 28.90 53.95 105.73 29.85 54.07 107.68 coo 25.47 38.28 112.06 27.26 39.30 111.54 23.42 63.46 112.90 25.40 64.20 113.21 ULMN 3 1b57_c00 FRUCTOSE-BISPHOSPHATE ALDOLASE II user 2 3 # 2 A 109 ASP A 154 ASP^? 25.59 O1 SO4 A 229 A 182 GLU A 172 GLU^? 26.58 O4 SO4 A 229 A 286 ASN A 108 ASN^? 31.71 O1 SO4 A 229 coo 26.03 44.66 108.90 25.67 42.61 108.82 22.41 56.72 112.09 24.50 56.74 112.55 coo 18.06 44.02 105.38 18.08 45.37 107.03 13.47 60.86 115.95 13.70 62.79 115.15 coo 25.47 38.28 112.06 27.26 39.30 111.54 23.42 63.46 112.90 25.40 64.20 113.21 ULMN 3 1b57_c00 FRUCTOSE-BISPHOSPHATE ALDOLASE II user 3 3 # 3 A 109 ASP B 154 ASP^? 28.34 O3 SO4 B 229 A 182 GLU B 172 GLU^? 30.08 O3 SO4 B 229 A 286 ASN B 108 ASN^? 33.72 O3 SO4 B 229 coo 26.03 44.66 108.90 25.67 42.61 108.82 -19.38 9.09 123.27 -21.52 8.99 123.42 coo 18.06 44.02 105.38 18.08 45.37 107.03 -11.19 5.19 128.37 -11.78 3.12 128.47 coo 25.47 38.28 112.06 27.26 39.30 111.54 -21.52 1.86 123.78 -22.21 -0.15 123.44 1b57_c00 source 1b57 FRUCTOSE-BISPHOSPHATE ALDOLASE II : 3 hits 1b57_c00 naa= 3 ULMN 3 1b57_c01 FRUCTOSE-BISPHOSPHATE ALDOLASE II user 1 3 # 1 B 109 ASP A 154 ASP^? 25.59 O1 SO4 A 229 B 182 GLU A 135 GLU^? 26.04 O1 SO4 A 229 B 286 ASN A 108 ASN^? 31.71 O1 SO4 A 229 coo 13.82 69.26 132.27 11.87 70.14 132.51 22.41 56.72 112.09 24.50 56.74 112.55 coo 8.74 63.05 136.42 9.87 62.19 134.79 28.90 53.95 105.73 29.85 54.07 107.68 coo 8.26 72.60 129.22 10.14 73.45 129.80 23.42 63.46 112.90 25.40 64.20 113.21 ULMN 3 1b57_c01 FRUCTOSE-BISPHOSPHATE ALDOLASE II user 2 3 # 2 B 109 ASP A 154 ASP^? 25.59 O1 SO4 A 229 B 182 GLU A 172 GLU^? 26.58 O4 SO4 A 229 B 286 ASN A 108 ASN^? 31.71 O1 SO4 A 229 coo 13.82 69.26 132.27 11.87 70.14 132.51 22.41 56.72 112.09 24.50 56.74 112.55 coo 8.74 63.05 136.42 9.87 62.19 134.79 13.47 60.86 115.95 13.70 62.79 115.15 coo 8.26 72.60 129.22 10.14 73.45 129.80 23.42 63.46 112.90 25.40 64.20 113.21 ULMN 3 1b57_c01 FRUCTOSE-BISPHOSPHATE ALDOLASE II user 3 3 # 3 B 109 ASP B 154 ASP^? 28.34 O3 SO4 B 229 B 182 GLU B 172 GLU^? 30.08 O3 SO4 B 229 B 286 ASN B 108 ASN^? 33.72 O3 SO4 B 229 coo 13.82 69.26 132.27 11.87 70.14 132.51 -19.38 9.09 123.27 -21.52 8.99 123.42 coo 8.74 63.05 136.42 9.87 62.19 134.79 -11.19 5.19 128.37 -11.78 3.12 128.47 coo 8.26 72.60 129.22 10.14 73.45 129.80 -21.52 1.86 123.78 -22.21 -0.15 123.44 1b57_c01 source 1b57 FRUCTOSE-BISPHOSPHATE ALDOLASE II : 3 hits 1b57_c01 naa= 3 ULMN 3 1b8g_c04 1-AMINOCYCLOPROPANE-1-CARBOXYLATE SYuser 1 3 # 1 A 145 TYR A 76 TYR^? 9.48 O2 SO4 A 229 A 230 ASP A 52 ASP^? 8.69 O1 SO4 A 229 A 273 LYS A 122 LYS^? 10.06 O1 SO4 A 229 coo 9.23 21.44 106.88 10.18 19.34 105.31 10.27 43.52 89.91 10.78 42.74 92.53 coo 1.45 22.80 104.16 2.58 21.02 104.01 13.74 39.26 94.65 14.56 41.23 94.45 coo 2.97 11.64 107.87 6.59 15.13 107.03 16.00 48.82 99.35 17.27 43.58 96.56 ULMN 3 1b8g_c04 1-AMINOCYCLOPROPANE-1-CARBOXYLATE SYuser 2 3 # 2 A 145 TYR B 44 TYR^? 11.15 O1 SO4 A 229 A 230 ASP B 64 ASP^? 18.27 O3 SO4 A 231 A 273 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo 9.23 21.44 106.88 10.18 19.34 105.31 13.68 30.43 97.38 15.80 32.10 96.60 coo 1.45 22.80 104.16 2.58 21.02 104.01 12.23 21.46 92.76 12.58 23.03 91.40 coo 2.97 11.64 107.87 6.59 15.13 107.03 16.47 24.53 104.57 15.75 30.78 103.34 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 76 TYR^? 9.48 O2 SO4 A 229 B 230 ASP A 52 ASP^? 8.69 O1 SO4 A 229 B 273 LYS A 122 LYS^? 10.06 O1 SO4 A 229 coo 11.81 13.41 73.03 10.00 13.03 75.12 10.27 43.52 89.91 10.78 42.74 92.53 coo 19.17 11.01 76.14 17.26 10.42 76.77 13.74 39.26 94.65 14.56 41.23 94.45 coo 11.10 2.31 76.60 10.24 7.24 75.62 16.00 48.82 99.35 17.27 43.58 96.56 ULMN 3 1b8g_c05 1-AMINOCYCLOPROPANE-1-CARBOXYLATE SYuser 2 3 # 2 B 145 TYR B 44 TYR^? 11.15 O1 SO4 A 229 B 230 ASP B 64 ASP^? 18.27 O3 SO4 A 231 B 273 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo 11.81 13.41 73.03 10.00 13.03 75.12 13.68 30.43 97.38 15.80 32.10 96.60 coo 19.17 11.01 76.14 17.26 10.42 76.77 12.23 21.46 92.76 12.58 23.03 91.40 coo 11.10 2.31 76.60 10.24 7.24 75.62 16.47 24.53 104.57 15.75 30.78 103.34 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 128 PHE^? 20.91 O4 SO4 A 229 A 159 ASP A 126 ASP^? 16.24 O1 SO4 A 229 A 188 LYS A 110 LYS^? 28.35 O1 SO4 A 229 coo 13.91 34.58 14.67 12.95 36.00 12.47 14.74 59.11 102.82 14.74 60.87 104.99 coo 20.97 28.40 16.26 20.19 30.15 15.34 18.12 53.54 96.53 19.31 51.77 96.80 coo 22.55 41.65 15.60 18.92 37.20 14.63 25.55 58.06 108.35 29.49 58.97 105.77 ULMN 3 1b9h_c02 3-AMINO-5-HYDROXYBENZOIC ACID SYNTHAuser 2 3 # 2 A 88 PHE A 128 PHE^? 20.91 O4 SO4 A 229 A 159 ASP A 179 ASP^? 20.51 O2 SO4 A 229 A 188 LYS A 122 LYS^? 10.06 O1 SO4 A 229 coo 13.91 34.58 14.67 12.95 36.00 12.47 14.74 59.11 102.82 14.74 60.87 104.99 coo 20.97 28.40 16.26 20.19 30.15 15.34 9.62 60.80 96.72 10.25 60.11 94.85 coo 22.55 41.65 15.60 18.92 37.20 14.63 16.00 48.82 99.35 17.27 43.58 96.56 ULMN 3 1b9h_c02 3-AMINO-5-HYDROXYBENZOIC ACID SYNTHAuser 3 3 # 3 A 88 PHE B 128 PHE^? 21.17 O3 SO4 B 229 A 159 ASP B 179 ASP^? 19.53 O1 SO4 B 229 A 188 LYS B 122 LYS^? 11.60 O2 SO4 B 229 coo 13.91 34.58 14.67 12.95 36.00 12.47 -10.56 5.78 116.00 -10.83 4.09 118.25 coo 20.97 28.40 16.26 20.19 30.15 15.34 -5.05 2.01 112.29 -5.62 2.01 110.23 coo 22.55 41.65 15.60 18.92 37.20 14.63 -10.43 15.56 110.86 -13.65 15.21 106.31 ULMN 3 1b9h_c02 3-AMINO-5-HYDROXYBENZOIC ACID SYNTHAuser 4 3 # 4 A 88 PHE B 129 PHE^? 20.67 O3 SO4 B 229 A 159 ASP B 179 ASP^? 19.53 O1 SO4 B 229 A 188 LYS B 122 LYS^? 11.60 O2 SO4 B 229 coo 13.91 34.58 14.67 12.95 36.00 12.47 -14.90 7.32 114.49 -14.69 7.85 117.24 coo 20.97 28.40 16.26 20.19 30.15 15.34 -5.05 2.01 112.29 -5.62 2.01 110.23 coo 22.55 41.65 15.60 18.92 37.20 14.63 -10.43 15.56 110.86 -13.65 15.21 106.31 1b9h_c02 source 1b9h 3-AMINO-5-HYDROXYBENZOIC ACID SYNTHASE : 4 hits 1b9h_c02 naa= 3 ULMN 3 1bbs_c06 RENIN user 1 3 # 1 32 ASP A 2 ASP~? 14.67 O2 SO4 A 230 35 SER A -2 SER~? 12.73 O2 SO4 A 230 215 ASP A 39 ASP^? 5.87 O2 SO4 A 230 coo 61.19 45.85 78.73 62.86 45.48 77.48 -20.15 34.72 83.71 -22.03 35.03 82.80 coo 66.00 46.17 80.29 64.31 47.92 79.91 -23.89 33.29 87.49 -25.22 35.21 86.74 coo 63.61 40.10 74.06 64.05 42.07 74.70 -16.67 33.15 92.05 -17.20 32.80 93.99 ULMN 3 1bbs_c06 RENIN user 2 3 # 2 32 ASP A 115 ASP^? 8.58 O1 SO4 A 229 35 SER A 118 SER^? 6.22 O1 SO4 A 229 215 ASP A 138 ASP^? 13.32 O1 SO4 A 229 coo 61.19 45.85 78.73 62.86 45.48 77.48 15.77 43.56 105.82 15.72 41.47 106.14 coo 66.00 46.17 80.29 64.31 47.92 79.91 12.94 43.53 101.47 11.74 45.37 102.38 coo 63.61 40.10 74.06 64.05 42.07 74.70 23.15 43.17 105.53 21.70 41.96 104.55 ULMN 3 1bbs_c06 RENIN user 3 3 # 3 32 ASP A 115 ASP^? 8.58 O1 SO4 A 229 35 SER A 140 SER^? 13.33 O1 SO4 A 229 215 ASP A 138 ASP^? 13.32 O1 SO4 A 229 coo 61.19 45.85 78.73 62.86 45.48 77.48 15.77 43.56 105.82 15.72 41.47 106.14 coo 66.00 46.17 80.29 64.31 47.92 79.91 16.67 42.99 109.88 16.46 41.74 111.93 coo 63.61 40.10 74.06 64.05 42.07 74.70 23.15 43.17 105.53 21.70 41.96 104.55 ULMN 3 1bbs_c06 RENIN user 4 3 # 4 32 ASP B 115 ASP^? 13.85 O3 SO4 B 229 35 SER B 116 SER^? 14.92 O3 SO4 B 229 215 ASP B 120 ASP^? 8.68 O3 SO4 B 229 coo 61.19 45.85 78.73 62.86 45.48 77.48 -12.10 21.41 116.25 -11.91 23.51 116.16 coo 66.00 46.17 80.29 64.31 47.92 79.91 -14.36 21.91 112.03 -15.99 23.77 112.13 coo 63.61 40.10 74.06 64.05 42.07 74.70 -4.32 17.92 112.37 -3.28 16.49 113.53 ULMN 3 1bbs_c06 RENIN user 5 3 # 5 32 ASP B 115 ASP^? 13.85 O3 SO4 B 229 35 SER B 118 SER^? 9.02 O3 SO4 B 229 215 ASP B 138 ASP^? 17.24 O3 SO4 B 229 coo 61.19 45.85 78.73 62.86 45.48 77.48 -12.10 21.41 116.25 -11.91 23.51 116.16 coo 66.00 46.17 80.29 64.31 47.92 79.91 -8.83 21.42 112.28 -7.48 20.01 113.71 coo 63.61 40.10 74.06 64.05 42.07 74.70 -19.34 21.74 114.74 -17.84 23.07 113.94 ULMN 3 1bbs_c06 RENIN user 6 3 # 6 32 ASP B 115 ASP^? 13.85 O3 SO4 B 229 35 SER B 140 SER^? 18.74 O3 SO4 B 229 215 ASP B 138 ASP^? 17.24 O3 SO4 B 229 coo 61.19 45.85 78.73 62.86 45.48 77.48 -12.10 21.41 116.25 -11.91 23.51 116.16 coo 66.00 46.17 80.29 64.31 47.92 79.91 -13.55 22.77 120.12 -12.47 24.15 121.85 coo 63.61 40.10 74.06 64.05 42.07 74.70 -19.34 21.74 114.74 -17.84 23.07 113.94 1bbs_c06 source 1bbs RENIN : 6 hits 1bbs_c06 naa= 3 ULMN 3 1bbs_c07 RENIN user 1 3 # 1 32 ASP A 2 ASP~? 14.67 O2 SO4 A 230 35 SER A -2 SER~? 12.73 O2 SO4 A 230 215 ASP A 39 ASP^? 5.87 O2 SO4 A 230 coo 61.19 45.85 78.73 62.86 45.48 77.48 -20.15 34.72 83.71 -22.03 35.03 82.80 coo 66.00 46.17 80.29 64.31 47.92 79.91 -23.89 33.29 87.49 -25.22 35.21 86.74 coo 63.61 40.10 74.06 64.05 42.07 74.70 -16.67 33.15 92.05 -17.20 32.80 93.99 ULMN 3 1bbs_c07 RENIN user 2 3 # 2 32 ASP A 115 ASP^? 8.58 O1 SO4 A 229 35 SER A 118 SER^? 6.22 O1 SO4 A 229 215 ASP A 138 ASP^? 13.32 O1 SO4 A 229 coo 61.19 45.85 78.73 62.86 45.48 77.48 15.77 43.56 105.82 15.72 41.47 106.14 coo 66.00 46.17 80.29 64.31 47.92 79.91 12.94 43.53 101.47 11.74 45.37 102.38 coo 63.61 40.10 74.06 64.05 42.07 74.70 23.15 43.17 105.53 21.70 41.96 104.55 ULMN 3 1bbs_c07 RENIN user 3 3 # 3 32 ASP A 115 ASP^? 8.58 O1 SO4 A 229 35 SER A 140 SER^? 13.33 O1 SO4 A 229 215 ASP A 138 ASP^? 13.32 O1 SO4 A 229 coo 61.19 45.85 78.73 62.86 45.48 77.48 15.77 43.56 105.82 15.72 41.47 106.14 coo 66.00 46.17 80.29 64.31 47.92 79.91 16.67 42.99 109.88 16.46 41.74 111.93 coo 63.61 40.10 74.06 64.05 42.07 74.70 23.15 43.17 105.53 21.70 41.96 104.55 ULMN 3 1bbs_c07 RENIN user 4 3 # 4 32 ASP B 115 ASP^? 13.85 O3 SO4 B 229 35 SER B 116 SER^? 14.92 O3 SO4 B 229 215 ASP B 120 ASP^? 8.68 O3 SO4 B 229 coo 61.19 45.85 78.73 62.86 45.48 77.48 -12.10 21.41 116.25 -11.91 23.51 116.16 coo 66.00 46.17 80.29 64.31 47.92 79.91 -14.36 21.91 112.03 -15.99 23.77 112.13 coo 63.61 40.10 74.06 64.05 42.07 74.70 -4.32 17.92 112.37 -3.28 16.49 113.53 ULMN 3 1bbs_c07 RENIN user 5 3 # 5 32 ASP B 115 ASP^? 13.85 O3 SO4 B 229 35 SER B 118 SER^? 9.02 O3 SO4 B 229 215 ASP B 138 ASP^? 17.24 O3 SO4 B 229 coo 61.19 45.85 78.73 62.86 45.48 77.48 -12.10 21.41 116.25 -11.91 23.51 116.16 coo 66.00 46.17 80.29 64.31 47.92 79.91 -8.83 21.42 112.28 -7.48 20.01 113.71 coo 63.61 40.10 74.06 64.05 42.07 74.70 -19.34 21.74 114.74 -17.84 23.07 113.94 ULMN 3 1bbs_c07 RENIN user 6 3 # 6 32 ASP B 115 ASP^? 13.85 O3 SO4 B 229 35 SER B 140 SER^? 18.74 O3 SO4 B 229 215 ASP B 138 ASP^? 17.24 O3 SO4 B 229 coo 61.19 45.85 78.73 62.86 45.48 77.48 -12.10 21.41 116.25 -11.91 23.51 116.16 coo 66.00 46.17 80.29 64.31 47.92 79.91 -13.55 22.77 120.12 -12.47 24.15 121.85 coo 63.61 40.10 74.06 64.05 42.07 74.70 -19.34 21.74 114.74 -17.84 23.07 113.94 1bbs_c07 source 1bbs RENIN : 6 hits 1bbs_c07 naa= 3 ULMN 3 1be1_c02 GLUTAMATE MUTASE user 1 3 # 1 14 ASP A 115 ASP^? 8.58 O1 SO4 A 229 16 HIS A 142 HIS^? 12.26 O4 SO4 A 229 67 GLY B 29 GLY^? 15.41 O3 SO4 B 229 coo -11.04 -6.46 -7.27 -10.57 -4.40 -7.48 15.77 43.56 105.82 15.72 41.47 106.14 coo -6.73 -11.42 -7.86 -5.41 -11.61 -6.26 13.21 42.55 113.57 11.63 42.05 112.27 coo 10.06 -0.59 -9.79 9.66 -0.34 -9.05 11.30 23.21 112.72 10.85 23.02 112.05 ULMN 3 1be1_c02 GLUTAMATE MUTASE user 2 3 # 2 14 ASP A 115 ASP^? 8.58 O1 SO4 A 229 16 HIS A 142 HIS^? 12.26 O4 SO4 A 229 67 GLY B 33 GLY^? 17.96 O1 SO4 B 229 coo -11.04 -6.46 -7.27 -10.57 -4.40 -7.48 15.77 43.56 105.82 15.72 41.47 106.14 coo -6.73 -11.42 -7.86 -5.41 -11.61 -6.26 13.21 42.55 113.57 11.63 42.05 112.27 coo 10.06 -0.59 -9.79 9.66 -0.34 -9.05 15.72 22.10 109.54 15.48 22.46 108.84 ULMN 3 1be1_c02 GLUTAMATE MUTASE user 3 3 # 3 14 ASP A 115 ASP^? 8.58 O1 SO4 A 229 16 HIS A 142 HIS^? 12.26 O4 SO4 A 229 67 GLY B 222 GLY^? 22.29 O3 SO4 B 229 coo -11.04 -6.46 -7.27 -10.57 -4.40 -7.48 15.77 43.56 105.82 15.72 41.47 106.14 coo -6.73 -11.42 -7.86 -5.41 -11.61 -6.26 13.21 42.55 113.57 11.63 42.05 112.27 coo 10.06 -0.59 -9.79 9.66 -0.34 -9.05 12.74 26.32 121.64 13.39 25.82 121.72 ULMN 3 1be1_c02 GLUTAMATE MUTASE user 4 3 # 4 14 ASP A 120 ASP^? 7.17 O2 SO4 A 229 16 HIS A 97 HIS^? 10.66 O4 SO4 A 229 67 GLY A 107 GLY^? 29.13 O4 SO4 A 229 coo -11.04 -6.46 -7.27 -10.57 -4.40 -7.48 9.29 47.78 99.49 7.80 47.36 98.01 coo -6.73 -11.42 -7.86 -5.41 -11.61 -6.26 7.24 52.04 104.47 6.71 50.18 103.67 coo 10.06 -0.59 -9.79 9.66 -0.34 -9.05 20.00 65.36 110.38 20.24 64.69 110.80 ULMN 3 1be1_c02 GLUTAMATE MUTASE user 5 3 # 5 14 ASP A 208 ASP^? 7.66 O1 SO4 A 230 16 HIS A 210 HIS^? 9.95 O1 SO4 A 230 67 GLY A 222 GLY^? 13.51 O3 SO4 A 230 coo -11.04 -6.46 -7.27 -10.57 -4.40 -7.48 -15.69 43.98 89.75 -16.79 45.74 90.29 coo -6.73 -11.42 -7.86 -5.41 -11.61 -6.26 -16.02 49.92 93.97 -17.27 50.59 95.51 coo 10.06 -0.59 -9.79 9.66 -0.34 -9.05 -13.80 42.81 110.86 -14.29 43.18 110.33 ULMN 3 1be1_c02 GLUTAMATE MUTASE user 6 3 # 6 14 ASP B 120 ASP^? 8.68 O3 SO4 B 229 16 HIS B 97 HIS^? 12.49 O3 SO4 B 229 67 GLY B 222 GLY^? 22.29 O3 SO4 B 229 coo -11.04 -6.46 -7.27 -10.57 -4.40 -7.48 -4.32 17.92 112.37 -3.28 16.49 113.53 coo -6.73 -11.42 -7.86 -5.41 -11.61 -6.26 -3.31 12.76 116.75 -2.66 14.35 115.55 coo 10.06 -0.59 -9.79 9.66 -0.34 -9.05 12.74 26.32 121.64 13.39 25.82 121.72 ULMN 3 1be1_c02 GLUTAMATE MUTASE user 7 3 # 7 14 ASP B 208 ASP^? 25.58 O1 SO4 B 229 16 HIS B 210 HIS^? 25.92 O1 SO4 B 229 67 GLY B 95 GLY^? 13.84 O3 SO4 B 229 coo -11.04 -6.46 -7.27 -10.57 -4.40 -7.48 22.68 13.69 106.98 23.40 15.21 108.39 coo -6.73 -11.42 -7.86 -5.41 -11.61 -6.26 21.10 10.94 112.67 20.59 9.01 113.37 coo 10.06 -0.59 -9.79 9.66 -0.34 -9.05 2.66 14.51 117.22 2.05 14.37 116.70 ULMN 3 1be1_c02 GLUTAMATE MUTASE user 8 3 # 8 14 ASP B 208 ASP^? 25.58 O1 SO4 B 229 16 HIS B 210 HIS^? 25.92 O1 SO4 B 229 67 GLY B 222 GLY^? 22.29 O3 SO4 B 229 coo -11.04 -6.46 -7.27 -10.57 -4.40 -7.48 22.68 13.69 106.98 23.40 15.21 108.39 coo -6.73 -11.42 -7.86 -5.41 -11.61 -6.26 21.10 10.94 112.67 20.59 9.01 113.37 coo 10.06 -0.59 -9.79 9.66 -0.34 -9.05 12.74 26.32 121.64 13.39 25.82 121.72 1be1_c02 source 1be1 GLUTAMATE MUTASE : 8 hits 1be1_c02 naa= 3 ULMN 3 1bfd_c00 BENZOYLFORMATE DECARBOXYLASE user 1 3 # 1 28 GLU A 143 GLU^? 15.50 O1 SO4 A 229 70 HIS A 142 HIS^? 12.26 O4 SO4 A 229 281 HIS B 97 HIS^? 12.49 O3 SO4 B 229 coo 66.09 46.17 155.81 66.77 48.19 155.70 19.40 41.86 113.53 20.16 40.92 111.75 coo 69.05 50.55 157.03 68.00 52.29 156.51 13.21 42.55 113.57 11.63 42.05 112.27 coo 100.93 36.73 156.02 100.47 38.42 157.18 -3.31 12.76 116.75 -2.66 14.35 115.55 ULMN 3 1bfd_c00 BENZOYLFORMATE DECARBOXYLASE user 2 3 # 2 28 GLU B 96 GLU^? 19.06 O3 SO4 B 229 70 HIS B 97 HIS^? 12.49 O3 SO4 B 229 281 HIS A 142 HIS^? 12.26 O4 SO4 A 229 coo 66.09 46.17 155.81 66.77 48.19 155.70 1.17 9.30 120.04 2.75 8.18 119.17 coo 69.05 50.55 157.03 68.00 52.29 156.51 -3.31 12.76 116.75 -2.66 14.35 115.55 coo 100.93 36.73 156.02 100.47 38.42 157.18 13.21 42.55 113.57 11.63 42.05 112.27 1bfd_c00 source 1bfd BENZOYLFORMATE DECARBOXYLASE : 2 hits 1bfd_c00 naa= 3 ULMN 3 1bgl_c08 BETA-GALACTOSIDASE user 1 3 # 1 A 461 GLU A 225 GLU^? 13.76 O3 SO4 A 230 A 503 TYR A 228 TYR^? 12.29 O4 SO4 B 229 A 537 GLU A 28 GLU^? 15.00 O4 SO4 A 229 coo 24.06 146.21 11.09 22.89 146.18 9.36 -14.25 35.84 110.00 -12.75 37.08 110.88 coo 15.91 140.69 8.32 15.71 143.39 9.13 -6.50 33.95 102.32 -5.45 34.14 104.92 coo 16.65 144.44 13.24 18.34 145.22 12.33 -5.36 37.58 106.38 -6.12 37.04 108.31 ULMN 3 1bgl_c08 BETA-GALACTOSIDASE user 2 3 # 2 A 461 GLU B 87 GLU^? 17.71 O1 SO4 B 229 A 503 TYR B 93 TYR^? -6.26 O1 SO4 B 229s A 537 GLU B 187 GLU^? 15.82 O1 SO4 B 229 coo 24.06 146.21 11.09 22.89 146.18 9.36 10.05 8.18 103.44 9.48 6.19 103.45 coo 15.91 140.69 8.32 15.71 143.39 9.13 3.42 16.10 108.71 2.04 17.62 106.85 coo 16.65 144.44 13.24 18.34 145.22 12.33 5.79 8.67 109.77 5.71 6.74 108.88 1bgl_c08 source 1bgl BETA-GALACTOSIDASE : 2 hits 1bgl_c08 naa= 3 ULMN 3 1bhg_c02 BETA-GLUCURONIDASE user 1 3 # 1 A 451 GLU A 87 GLU^? 17.80 O2 SO4 A 229 A 504 TYR A 93 TYR^? 6.38 O2 SO4 A 229 A 540 GLU A 187 GLU^? 15.53 O2 SO4 A 229 coo 81.34 87.29 87.22 82.36 86.09 88.61 -1.36 49.08 88.76 -0.85 50.53 87.31 coo 80.85 81.34 94.77 81.70 80.16 92.41 1.20 45.36 98.99 3.01 43.25 98.50 coo 79.94 80.46 88.84 81.11 81.36 87.27 -0.92 50.23 94.11 -1.07 51.49 92.41 ULMN 3 1bhg_c02 BETA-GLUCURONIDASE user 2 3 # 2 A 451 GLU B 87 GLU^? 17.71 O1 SO4 B 229 A 504 TYR B 93 TYR^? -6.26 O1 SO4 B 229s A 540 GLU B 187 GLU^? 15.82 O1 SO4 B 229 coo 81.34 87.29 87.22 82.36 86.09 88.61 10.05 8.18 103.44 9.48 6.19 103.45 coo 80.85 81.34 94.77 81.70 80.16 92.41 3.42 16.10 108.71 2.04 17.62 106.85 coo 79.94 80.46 88.84 81.11 81.36 87.27 5.79 8.67 109.77 5.71 6.74 108.88 1bhg_c02 source 1bhg BETA-GLUCURONIDASE : 2 hits 1bhg_c02 naa= 3 ULMN 3 1bhg_c05 BETA-GLUCURONIDASE user 1 3 # 1 B 382 ARG A 102 ARG^? 26.30 O1 SO4 A 229 B 451 GLU A 172 GLU^? 26.58 O4 SO4 A 229 B 540 GLU A 105 GLU^? 30.13 O4 SO4 A 229 coo 82.21 41.07 119.14 83.95 40.66 116.59 20.87 56.76 118.88 22.55 56.51 116.31 coo 86.52 35.28 112.74 87.08 36.38 110.99 13.47 60.86 115.95 13.70 62.79 115.15 coo 83.38 41.19 112.55 85.47 40.59 112.72 20.63 62.21 117.15 22.45 61.29 117.66 ULMN 3 1bhg_c05 BETA-GLUCURONIDASE user 2 3 # 2 B 382 ARG B 102 ARG^? 29.89 O3 SO4 B 229 B 451 GLU B 172 GLU^? 30.08 O3 SO4 B 229 B 540 GLU B 105 GLU^? 33.36 O3 SO4 B 229 coo 82.21 41.07 119.14 83.95 40.66 116.59 -18.79 9.83 130.39 -20.19 10.03 127.65 coo 86.52 35.28 112.74 87.08 36.38 110.99 -11.19 5.19 128.37 -11.78 3.12 128.47 coo 83.38 41.19 112.55 85.47 40.59 112.72 -18.43 5.03 129.05 -20.50 4.52 128.90 1bhg_c05 source 1bhg BETA-GLUCURONIDASE : 2 hits 1bhg_c05 naa= 3 ULMN 3 1bib_c00 BIRA BIFUNCTIONAL PROTEIN (ACTS AS Buser 1 3 # 1 118 ARG A 117 ARG^? 9.09 O1 SO4 A 229 183 LYS A 122 LYS^? 10.06 O1 SO4 A 229 317 ARG A 111 ARG^? 23.82 O1 SO4 A 229 coo 76.57 109.19 73.41 73.86 110.26 72.16 15.20 37.23 104.25 15.70 38.54 107.02 coo 82.09 117.51 66.37 80.60 114.32 71.44 16.00 48.82 99.35 17.27 43.58 96.56 coo 65.21 120.62 58.76 63.62 123.14 59.66 27.79 53.22 110.53 27.99 50.20 111.12 ULMN 3 1bib_c00 BIRA BIFUNCTIONAL PROTEIN (ACTS AS Buser 2 3 # 2 118 ARG A 204 ARG^? 16.71 O4 SO4 A 231 183 LYS A 209 LYS^? -15.38 O1 SO4 A 230s 317 ARG A 54 ARG^? -2.64 O2 SO4 A 229s coo 76.57 109.19 73.41 73.86 110.26 72.16 -6.84 43.91 80.86 -3.85 44.77 81.39 coo 82.09 117.51 66.37 80.60 114.32 71.44 -11.65 46.61 90.96 -7.59 51.79 90.86 coo 65.21 120.62 58.76 63.62 123.14 59.66 5.30 36.31 96.12 6.03 38.74 97.87 ULMN 3 1bib_c00 BIRA BIFUNCTIONAL PROTEIN (ACTS AS Buser 3 3 # 3 118 ARG B 49 ARG^? -5.45 O4 SO4 B 229s 183 LYS B 122 LYS^? 11.60 O2 SO4 B 229 317 ARG B 70 ARG^? 17.55 O1 SO4 B 229 coo 76.57 109.19 73.41 73.86 110.26 72.16 -5.59 26.20 104.46 -4.44 26.24 107.34 coo 82.09 117.51 66.37 80.60 114.32 71.44 -10.43 15.56 110.86 -13.65 15.21 106.31 coo 65.21 120.62 58.76 63.62 123.14 59.66 4.92 7.16 103.42 6.42 4.45 103.73 ULMN 3 1bib_c00 BIRA BIFUNCTIONAL PROTEIN (ACTS AS Buser 4 3 # 4 118 ARG B 117 ARG^? 15.21 O3 SO4 B 229 183 LYS B 122 LYS^? 11.60 O2 SO4 B 229 317 ARG B 54 ARG^? -2.73 O1 SO4 B 229s coo 76.57 109.19 73.41 73.86 110.26 72.16 -11.94 27.43 114.35 -11.31 26.82 117.30 coo 82.09 117.51 66.37 80.60 114.32 71.44 -10.43 15.56 110.86 -13.65 15.21 106.31 coo 65.21 120.62 58.76 63.62 123.14 59.66 2.04 21.87 100.04 0.47 20.79 102.47 ULMN 3 1bib_c00 BIRA BIFUNCTIONAL PROTEIN (ACTS AS Buser 5 3 # 5 118 ARG B 181 ARG^? 17.91 O2 SO4 B 229 183 LYS B 122 LYS^? 11.60 O2 SO4 B 229 317 ARG B 54 ARG^? -2.73 O1 SO4 B 229s coo 76.57 109.19 73.41 73.86 110.26 72.16 -4.90 4.22 106.56 -7.80 3.62 107.30 coo 82.09 117.51 66.37 80.60 114.32 71.44 -10.43 15.56 110.86 -13.65 15.21 106.31 coo 65.21 120.62 58.76 63.62 123.14 59.66 2.04 21.87 100.04 0.47 20.79 102.47 ULMN 3 1bib_c00 BIRA BIFUNCTIONAL PROTEIN (ACTS AS Buser 6 3 # 6 118 ARG B 204 ARG^? 28.80 O1 SO4 B 229 183 LYS B 209 LYS^? 20.92 O1 SO4 B 229 317 ARG B 54 ARG^? -2.73 O1 SO4 B 229s coo 76.57 109.19 73.41 73.86 110.26 72.16 22.06 9.76 97.61 23.97 10.05 95.18 coo 82.09 117.51 66.37 80.60 114.32 71.44 18.15 13.29 108.56 15.24 7.74 107.09 coo 65.21 120.62 58.76 63.62 123.14 59.66 2.04 21.87 100.04 0.47 20.79 102.47 1bib_c00 source 1bib BIRA BIFUNCTIONAL PROTEIN (ACTS AS BIOTIN OPER: 6 hits 1bib_c00 naa= 3 ULMN 3 1bmt_c04 METHIONINE SYNTHASE (B12-BINDING DOMuser 1 3 # 1 A 757 ASP A 120 ASP^? 7.17 O2 SO4 A 229 A 759 HIS A 97 HIS^? 10.66 O4 SO4 A 229 A 810 SER A 69 SER^? 7.95 O2 SO4 A 229 coo 30.11 61.02 29.12 29.36 59.77 27.63 9.29 47.78 99.49 7.80 47.36 98.01 coo 30.94 56.62 25.28 29.94 54.94 26.14 7.24 52.04 104.47 6.71 50.18 103.67 coo 25.05 62.74 29.97 26.88 61.45 29.19 3.96 46.55 95.52 6.09 47.55 96.26 ULMN 3 1bmt_c04 METHIONINE SYNTHASE (B12-BINDING DOMuser 2 3 # 2 A 757 ASP A 120 ASP^? 7.17 O2 SO4 A 229 A 759 HIS A 97 HIS^? 10.66 O4 SO4 A 229 A 810 SER A 118 SER^? 6.22 O1 SO4 A 229 coo 30.11 61.02 29.12 29.36 59.77 27.63 9.29 47.78 99.49 7.80 47.36 98.01 coo 30.94 56.62 25.28 29.94 54.94 26.14 7.24 52.04 104.47 6.71 50.18 103.67 coo 25.05 62.74 29.97 26.88 61.45 29.19 12.94 43.53 101.47 11.74 45.37 102.38 ULMN 3 1bmt_c04 METHIONINE SYNTHASE (B12-BINDING DOMuser 3 3 # 3 A 757 ASP B 120 ASP^? 8.68 O3 SO4 B 229 A 759 HIS B 97 HIS^? 12.49 O3 SO4 B 229 A 810 SER B 118 SER^? 9.02 O3 SO4 B 229 coo 30.11 61.02 29.12 29.36 59.77 27.63 -4.32 17.92 112.37 -3.28 16.49 113.53 coo 30.94 56.62 25.28 29.94 54.94 26.14 -3.31 12.76 116.75 -2.66 14.35 115.55 coo 25.05 62.74 29.97 26.88 61.45 29.19 -8.83 21.42 112.28 -7.48 20.01 113.71 1bmt_c04 source 1bmt METHIONINE SYNTHASE (B12-BINDING DOMAINS) (E.C: 3 hits 1bmt_c04 naa= 3 ULMN 3 1bmt_c05 METHIONINE SYNTHASE (B12-BINDING DOMuser 1 3 # 1 B 757 ASP A 120 ASP^? 7.17 O2 SO4 A 229 B 759 HIS A 97 HIS^? 10.66 O4 SO4 A 229 B 810 SER A 69 SER^? 7.95 O2 SO4 A 229 coo -2.30 64.08 6.41 -0.36 64.72 6.26 9.29 47.78 99.49 7.80 47.36 98.01 coo 1.96 66.39 3.07 2.10 68.48 3.58 7.24 52.04 104.47 6.71 50.18 103.67 coo -1.50 63.90 11.86 -1.31 64.33 9.52 3.96 46.55 95.52 6.09 47.55 96.26 ULMN 3 1bmt_c05 METHIONINE SYNTHASE (B12-BINDING DOMuser 2 3 # 2 B 757 ASP A 120 ASP^? 7.17 O2 SO4 A 229 B 759 HIS A 97 HIS^? 10.66 O4 SO4 A 229 B 810 SER A 118 SER^? 6.22 O1 SO4 A 229 coo -2.30 64.08 6.41 -0.36 64.72 6.26 9.29 47.78 99.49 7.80 47.36 98.01 coo 1.96 66.39 3.07 2.10 68.48 3.58 7.24 52.04 104.47 6.71 50.18 103.67 coo -1.50 63.90 11.86 -1.31 64.33 9.52 12.94 43.53 101.47 11.74 45.37 102.38 ULMN 3 1bmt_c05 METHIONINE SYNTHASE (B12-BINDING DOMuser 3 3 # 3 B 757 ASP B 120 ASP^? 8.68 O3 SO4 B 229 B 759 HIS B 97 HIS^? 12.49 O3 SO4 B 229 B 810 SER B 118 SER^? 9.02 O3 SO4 B 229 coo -2.30 64.08 6.41 -0.36 64.72 6.26 -4.32 17.92 112.37 -3.28 16.49 113.53 coo 1.96 66.39 3.07 2.10 68.48 3.58 -3.31 12.76 116.75 -2.66 14.35 115.55 coo -1.50 63.90 11.86 -1.31 64.33 9.52 -8.83 21.42 112.28 -7.48 20.01 113.71 1bmt_c05 source 1bmt METHIONINE SYNTHASE (B12-BINDING DOMAINS) (E.C: 3 hits 1bmt_c05 naa= 3 ULMN 3 1bol_c00 RIBONUCLEASE RH user 1 3 # 1 A 46 HIS B 91 HIS^? 17.45 O3 SO4 B 229 A 105 GLU B 96 GLU^? 19.06 O3 SO4 B 229 A 109 HIS B 97 HIS^? 12.49 O3 SO4 B 229 coo 40.56 28.26 -3.97 41.87 29.52 -4.90 5.92 11.10 116.67 5.40 9.21 117.42 coo 43.60 31.12 0.44 42.42 31.86 -1.18 1.17 9.30 120.04 2.75 8.18 119.17 coo 40.53 36.41 -0.12 40.86 36.31 -2.14 -3.31 12.76 116.75 -2.66 14.35 115.55 ULMN 3 1bol_c00 RIBONUCLEASE RH user 2 3 # 2 A 46 HIS B 97 HIS^? 12.49 O3 SO4 B 229 A 105 GLU B 96 GLU^? 19.06 O3 SO4 B 229 A 109 HIS B 91 HIS^? 17.45 O3 SO4 B 229 coo 40.56 28.26 -3.97 41.87 29.52 -4.90 -3.31 12.76 116.75 -2.66 14.35 115.55 coo 43.60 31.12 0.44 42.42 31.86 -1.18 1.17 9.30 120.04 2.75 8.18 119.17 coo 40.53 36.41 -0.12 40.86 36.31 -2.14 5.92 11.10 116.67 5.40 9.21 117.42 1bol_c00 source 1bol RIBONUCLEASE RH : 2 hits 1bol_c00 naa= 3 ULMN 3 1bp2_c00 PHOSPHOLIPASE A2 (E.C.3.1.1.4) (PHOSuser 1 3 # 1 30 GLY B 89 GLY^? 16.96 O1 SO4 B 229 48 HIS B 210 HIS^? 25.92 O1 SO4 B 229 99 ASP B 208 ASP^? 25.58 O1 SO4 B 229 coo 12.38 5.55 24.25 13.27 5.59 24.39 10.15 9.21 110.31 9.83 9.95 110.22 coo 18.80 12.68 24.53 17.69 13.54 26.08 21.10 10.94 112.67 20.59 9.01 113.37 coo 17.07 18.51 26.62 16.67 17.07 28.09 22.68 13.69 106.98 23.40 15.21 108.39 1bp2_c00 source 1bp2 PHOSPHOLIPASE A2 (E.C.3.1.1.4) (PHOSPHATIDE AC: 1 hits 1bp2_c00 naa= 3 ULMN 3 1bqc_c01 BETA-MANNANASE user 1 3 # 1 A 50 ARG A 102 ARG^? 26.30 O1 SO4 A 229 A 128 GLU A 172 GLU^? 26.58 O4 SO4 A 229 A 225 GLU A 105 GLU^? 30.13 O4 SO4 A 229 coo 38.56 19.11 14.83 37.12 21.00 16.76 20.87 56.76 118.88 22.55 56.51 116.31 coo 36.48 24.43 22.02 36.86 26.34 21.13 13.47 60.86 115.95 13.70 62.79 115.15 coo 40.16 23.71 17.01 38.52 24.96 17.40 20.63 62.21 117.15 22.45 61.29 117.66 ULMN 3 1bqc_c01 BETA-MANNANASE user 2 3 # 2 A 50 ARG B 102 ARG^? 29.89 O3 SO4 B 229 A 128 GLU B 172 GLU^? 30.08 O3 SO4 B 229 A 225 GLU B 105 GLU^? 33.36 O3 SO4 B 229 coo 38.56 19.11 14.83 37.12 21.00 16.76 -18.79 9.83 130.39 -20.19 10.03 127.65 coo 36.48 24.43 22.02 36.86 26.34 21.13 -11.19 5.19 128.37 -11.78 3.12 128.47 coo 40.16 23.71 17.01 38.52 24.96 17.40 -18.43 5.03 129.05 -20.50 4.52 128.90 1bqc_c01 source 1bqc BETA-MANNANASE : 2 hits 1bqc_c01 naa= 3 ULMN 3 1brw_c00 PYRIMIDINE NUCLEOSIDE PHOSPHORYLASE user 1 3 # 1 A 82 HIS A 215 HIS^? -3.69 O3 SO4 A 230s A 168 ARG B 49 ARG^? -5.45 O4 SO4 B 229s A 187 LYS A 35 LYS^? 11.43 O2 SO4 A 230 coo 62.47 12.00 59.65 61.76 10.14 60.31 -13.92 40.67 99.66 -13.69 38.69 100.32 coo 55.10 8.37 73.00 55.48 9.59 70.20 -5.59 26.20 104.46 -4.44 26.24 107.34 coo 66.76 10.09 66.23 61.80 8.06 65.82 -9.76 35.16 95.20 -10.16 29.64 98.57 ULMN 3 1brw_c00 PYRIMIDINE NUCLEOSIDE PHOSPHORYLASE user 2 3 # 2 A 82 HIS B 97 HIS^? 12.49 O3 SO4 B 229 A 168 ARG B 117 ARG^? 15.21 O3 SO4 B 229 A 187 LYS B 122 LYS^? 11.60 O2 SO4 B 229 coo 62.47 12.00 59.65 61.76 10.14 60.31 -3.31 12.76 116.75 -2.66 14.35 115.55 coo 55.10 8.37 73.00 55.48 9.59 70.20 -11.94 27.43 114.35 -11.31 26.82 117.30 coo 66.76 10.09 66.23 61.80 8.06 65.82 -10.43 15.56 110.86 -13.65 15.21 106.31 ULMN 3 1brw_c00 PYRIMIDINE NUCLEOSIDE PHOSPHORYLASE user 3 3 # 3 A 82 HIS B 215 HIS^? 20.82 O1 SO4 B 229 A 168 ARG A 49 ARG^? -7.08 O1 SO4 A 229s A 187 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo 62.47 12.00 59.65 61.76 10.14 60.31 17.61 22.77 112.56 17.48 24.80 112.05 coo 55.10 8.37 73.00 55.48 9.59 70.20 10.25 36.07 104.69 11.36 37.50 107.24 coo 66.76 10.09 66.23 61.80 8.06 65.82 16.47 24.53 104.57 15.75 30.78 103.34 ULMN 3 1brw_c00 PYRIMIDINE NUCLEOSIDE PHOSPHORYLASE user 4 3 # 4 A 82 HIS B 215 HIS^? 20.82 O1 SO4 B 229 A 168 ARG A 117 ARG^? 9.09 O1 SO4 A 229 A 187 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo 62.47 12.00 59.65 61.76 10.14 60.31 17.61 22.77 112.56 17.48 24.80 112.05 coo 55.10 8.37 73.00 55.48 9.59 70.20 15.20 37.23 104.25 15.70 38.54 107.02 coo 66.76 10.09 66.23 61.80 8.06 65.82 16.47 24.53 104.57 15.75 30.78 103.34 1brw_c00 source 1brw PYRIMIDINE NUCLEOSIDE PHOSPHORYLASE : 4 hits 1brw_c00 naa= 3 ULMN 3 1brw_c01 PYRIMIDINE NUCLEOSIDE PHOSPHORYLASE user 1 3 # 1 B1082 HIS B 210 HIS^? 25.92 O1 SO4 B 229 B1168 ARG B 204 ARG^? 28.80 O1 SO4 B 229 B1187 LYS B 209 LYS^? 20.92 O1 SO4 B 229 coo 35.03 5.72 103.61 36.82 5.00 102.79 21.10 10.94 112.67 20.59 9.01 113.37 coo 41.91 5.48 91.85 40.59 6.81 94.28 22.06 9.76 97.61 23.97 10.05 95.18 coo 32.93 -0.12 99.60 37.71 2.39 99.23 18.15 13.29 108.56 15.24 7.74 107.09 ULMN 3 1brw_c01 PYRIMIDINE NUCLEOSIDE PHOSPHORYLASE user 2 3 # 2 B1082 HIS B 210 HIS^? 25.92 O1 SO4 B 229 B1168 ARG B 218 ARG^? 24.95 O1 SO4 B 229 B1187 LYS B 209 LYS^? 20.92 O1 SO4 B 229 coo 35.03 5.72 103.61 36.82 5.00 102.79 21.10 10.94 112.67 20.59 9.01 113.37 coo 41.91 5.48 91.85 40.59 6.81 94.28 19.88 22.79 118.45 20.69 21.06 116.02 coo 32.93 -0.12 99.60 37.71 2.39 99.23 18.15 13.29 108.56 15.24 7.74 107.09 1brw_c01 source 1brw PYRIMIDINE NUCLEOSIDE PHOSPHORYLASE : 2 hits 1brw_c01 naa= 3 ULMN 3 1bs4_c00 PEPTIDE DEFORMYLASE user 1 3 # 1 A 50 GLN A 98 GLN^? 19.44 O4 SO4 A 229 A 91 LEU A 176 LEU^? 17.67 O4 SO4 A 229 A 133 GLU A 96 GLU^? 17.08 O4 SO4 A 229 coo 43.58 43.67 66.73 42.32 42.78 68.15 6.60 56.88 109.41 5.83 57.80 111.13 coo 38.58 45.09 70.44 38.28 45.21 72.59 8.86 58.87 103.69 10.05 57.22 104.39 coo 44.05 36.87 70.65 43.15 38.64 69.97 1.22 55.68 105.58 1.14 56.60 103.71 ULMN 3 1bs4_c00 PEPTIDE DEFORMYLASE user 2 3 # 2 A 50 GLN A 146 GLN^? 20.83 O4 SO4 A 229 A 91 LEU A 145 LEU^? 18.00 O4 SO4 A 229 A 133 GLU A 143 GLU^? 15.50 O1 SO4 A 229 coo 43.58 43.67 66.73 42.32 42.78 68.15 17.30 44.83 118.79 17.81 42.95 119.71 coo 38.58 45.09 70.44 38.28 45.21 72.59 14.77 48.33 116.14 13.12 49.54 116.75 coo 44.05 36.87 70.65 43.15 38.64 69.97 19.40 41.86 113.53 20.16 40.92 111.75 ULMN 3 1bs4_c00 PEPTIDE DEFORMYLASE user 3 3 # 3 A 50 GLN A 184 GLN^? 16.35 O2 SO4 A 229 A 91 LEU A 71 LEU^? 12.09 O2 SO4 A 229 A 133 GLU A 87 GLU^? 17.80 O2 SO4 A 229 coo 43.58 43.67 66.73 42.32 42.78 68.15 4.04 54.49 93.49 5.30 54.66 91.80 coo 38.58 45.09 70.44 38.28 45.21 72.59 7.38 51.02 95.09 9.10 52.28 95.55 coo 44.05 36.87 70.65 43.15 38.64 69.97 -1.36 49.08 88.76 -0.85 50.53 87.31 ULMN 3 1bs4_c00 PEPTIDE DEFORMYLASE user 4 3 # 4 A 50 GLN A 184 GLN^? 16.35 O2 SO4 A 229 A 91 LEU A 71 LEU^? 12.09 O2 SO4 A 229 A 133 GLU A 187 GLU^? 15.53 O2 SO4 A 229 coo 43.58 43.67 66.73 42.32 42.78 68.15 4.04 54.49 93.49 5.30 54.66 91.80 coo 38.58 45.09 70.44 38.28 45.21 72.59 7.38 51.02 95.09 9.10 52.28 95.55 coo 44.05 36.87 70.65 43.15 38.64 69.97 -0.92 50.23 94.11 -1.07 51.49 92.41 ULMN 3 1bs4_c00 PEPTIDE DEFORMYLASE user 5 3 # 5 A 50 GLN A 184 GLN^? 16.35 O2 SO4 A 229 A 91 LEU A 183 LEU^? 17.78 O2 SO4 A 229 A 133 GLU A 187 GLU^? 15.53 O2 SO4 A 229 coo 43.58 43.67 66.73 42.32 42.78 68.15 4.04 54.49 93.49 5.30 54.66 91.80 coo 38.58 45.09 70.44 38.28 45.21 72.59 2.06 56.81 98.16 0.35 57.54 99.42 coo 44.05 36.87 70.65 43.15 38.64 69.97 -0.92 50.23 94.11 -1.07 51.49 92.41 ULMN 3 1bs4_c00 PEPTIDE DEFORMYLASE user 6 3 # 6 A 50 GLN A 216 GLN^? 12.04 O3 SO4 A 230 A 91 LEU A 26 LEU^? 12.44 O4 SO4 A 229 A 133 GLU A 28 GLU^? 15.00 O4 SO4 A 229 coo 43.58 43.67 66.73 42.32 42.78 68.15 -8.40 44.89 101.35 -6.72 45.73 100.34 coo 38.58 45.09 70.44 38.28 45.21 72.59 -3.72 45.23 105.02 -4.03 47.08 103.90 coo 44.05 36.87 70.65 43.15 38.64 69.97 -5.36 37.58 106.38 -6.12 37.04 108.31 ULMN 3 1bs4_c00 PEPTIDE DEFORMYLASE user 7 3 # 7 A 50 GLN A 216 GLN^? 12.04 O3 SO4 A 230 A 91 LEU A 30 LEU^? 11.68 O2 SO4 A 229 A 133 GLU A 28 GLU^? 15.00 O4 SO4 A 229 coo 43.58 43.67 66.73 42.32 42.78 68.15 -8.40 44.89 101.35 -6.72 45.73 100.34 coo 38.58 45.09 70.44 38.28 45.21 72.59 -4.96 42.12 99.51 -3.86 42.35 97.67 coo 44.05 36.87 70.65 43.15 38.64 69.97 -5.36 37.58 106.38 -6.12 37.04 108.31 ULMN 3 1bs4_c00 PEPTIDE DEFORMYLASE user 8 3 # 8 A 50 GLN B 79 GLN^? 16.47 O1 SO4 B 229 A 91 LEU B 82 LEU^? 14.72 O1 SO4 B 229 A 133 GLU B 56 GLU^? 14.37 O2 SO4 B 229 coo 43.58 43.67 66.73 42.32 42.78 68.15 -0.64 9.62 90.26 -2.26 10.92 90.79 coo 38.58 45.09 70.44 38.28 45.21 72.59 4.79 11.53 93.25 2.80 11.51 94.05 coo 44.05 36.87 70.65 43.15 38.64 69.97 -2.86 18.57 90.31 -4.55 19.76 89.87 ULMN 3 1bs4_c00 PEPTIDE DEFORMYLASE user 9 3 # 9 A 50 GLN B 98 GLN^? 22.18 O3 SO4 B 229 A 91 LEU B 99 LEU^? 21.97 O3 SO4 B 229 A 133 GLU B 96 GLU^? 19.06 O3 SO4 B 229 coo 43.58 43.67 66.73 42.32 42.78 68.15 -3.58 9.76 123.54 -3.24 10.30 125.57 coo 38.58 45.09 70.44 38.28 45.21 72.59 -9.38 7.45 121.36 -11.53 7.06 121.24 coo 44.05 36.87 70.65 43.15 38.64 69.97 1.17 9.30 120.04 2.75 8.18 119.17 ULMN 3 1bs4_c00 PEPTIDE DEFORMYLASE user 10 3 # 10 A 50 GLN B 146 GLN^? 26.46 O3 SO4 B 229 A 91 LEU B 145 LEU^? 23.15 O3 SO4 B 229 A 133 GLU B 143 GLU^? 21.40 O3 SO4 B 229 coo 43.58 43.67 66.73 42.32 42.78 68.15 -15.82 21.82 129.09 -16.21 23.87 128.73 coo 38.58 45.09 70.44 38.28 45.21 72.59 -12.69 18.37 127.55 -10.72 17.55 126.96 coo 44.05 36.87 70.65 43.15 38.64 69.97 -16.26 24.40 123.16 -17.08 25.33 121.37 ULMN 3 1bs4_c00 PEPTIDE DEFORMYLASE user 11 3 # 11 A 50 GLN B 184 GLN^? 15.80 O1 SO4 B 229 A 91 LEU B 71 LEU^? 11.38 O1 SO4 B 229 A 133 GLU B 87 GLU^? 17.71 O1 SO4 B 229 coo 43.58 43.67 66.73 42.32 42.78 68.15 1.89 5.54 107.57 1.24 4.64 105.75 coo 38.58 45.09 70.44 38.28 45.21 72.59 -1.32 9.46 106.16 -3.25 8.52 106.51 coo 44.05 36.87 70.65 43.15 38.64 69.97 10.05 8.18 103.44 9.48 6.19 103.45 ULMN 3 1bs4_c00 PEPTIDE DEFORMYLASE user 12 3 # 12 A 50 GLN B 216 GLN^? 14.75 O1 SO4 B 229 A 91 LEU B 30 LEU^? 11.49 O1 SO4 B 229 A 133 GLU B 28 GLU^? 14.88 O3 SO4 B 229 coo 43.58 43.67 66.73 42.32 42.78 68.15 11.51 19.20 113.95 10.44 17.69 112.88 coo 38.58 45.09 70.44 38.28 45.21 72.59 9.54 20.11 109.48 9.07 18.95 107.69 coo 44.05 36.87 70.65 43.15 38.64 69.97 7.08 27.54 112.66 7.38 29.31 113.76 1bs4_c00 source 1bs4 PEPTIDE DEFORMYLASE : 12 hits 1bs4_c00 naa= 3 ULMN 3 1bs4_c01 PEPTIDE DEFORMYLASE user 1 3 # 1 B 550 GLN A 98 GLN^? 19.44 O4 SO4 A 229 B 591 LEU A 176 LEU^? 17.67 O4 SO4 A 229 B 633 GLU A 96 GLU^? 17.08 O4 SO4 A 229 coo 88.06 44.34 57.19 89.06 45.53 55.74 6.60 56.88 109.41 5.83 57.80 111.13 coo 86.70 48.66 52.61 87.15 48.69 50.51 8.86 58.87 103.69 10.05 57.22 104.39 coo 95.42 44.52 54.43 93.46 45.31 54.70 1.22 55.68 105.58 1.14 56.60 103.71 ULMN 3 1bs4_c01 PEPTIDE DEFORMYLASE user 2 3 # 2 B 550 GLN A 146 GLN^? 20.83 O4 SO4 A 229 B 591 LEU A 145 LEU^? 18.00 O4 SO4 A 229 B 633 GLU A 143 GLU^? 15.50 O1 SO4 A 229 coo 88.06 44.34 57.19 89.06 45.53 55.74 17.30 44.83 118.79 17.81 42.95 119.71 coo 86.70 48.66 52.61 87.15 48.69 50.51 14.77 48.33 116.14 13.12 49.54 116.75 coo 95.42 44.52 54.43 93.46 45.31 54.70 19.40 41.86 113.53 20.16 40.92 111.75 ULMN 3 1bs4_c01 PEPTIDE DEFORMYLASE user 3 3 # 3 B 550 GLN A 184 GLN^? 16.35 O2 SO4 A 229 B 591 LEU A 71 LEU^? 12.09 O2 SO4 A 229 B 633 GLU A 87 GLU^? 17.80 O2 SO4 A 229 coo 88.06 44.34 57.19 89.06 45.53 55.74 4.04 54.49 93.49 5.30 54.66 91.80 coo 86.70 48.66 52.61 87.15 48.69 50.51 7.38 51.02 95.09 9.10 52.28 95.55 coo 95.42 44.52 54.43 93.46 45.31 54.70 -1.36 49.08 88.76 -0.85 50.53 87.31 ULMN 3 1bs4_c01 PEPTIDE DEFORMYLASE user 4 3 # 4 B 550 GLN A 184 GLN^? 16.35 O2 SO4 A 229 B 591 LEU A 71 LEU^? 12.09 O2 SO4 A 229 B 633 GLU A 187 GLU^? 15.53 O2 SO4 A 229 coo 88.06 44.34 57.19 89.06 45.53 55.74 4.04 54.49 93.49 5.30 54.66 91.80 coo 86.70 48.66 52.61 87.15 48.69 50.51 7.38 51.02 95.09 9.10 52.28 95.55 coo 95.42 44.52 54.43 93.46 45.31 54.70 -0.92 50.23 94.11 -1.07 51.49 92.41 ULMN 3 1bs4_c01 PEPTIDE DEFORMYLASE user 5 3 # 5 B 550 GLN A 184 GLN^? 16.35 O2 SO4 A 229 B 591 LEU A 183 LEU^? 17.78 O2 SO4 A 229 B 633 GLU A 187 GLU^? 15.53 O2 SO4 A 229 coo 88.06 44.34 57.19 89.06 45.53 55.74 4.04 54.49 93.49 5.30 54.66 91.80 coo 86.70 48.66 52.61 87.15 48.69 50.51 2.06 56.81 98.16 0.35 57.54 99.42 coo 95.42 44.52 54.43 93.46 45.31 54.70 -0.92 50.23 94.11 -1.07 51.49 92.41 ULMN 3 1bs4_c01 PEPTIDE DEFORMYLASE user 6 3 # 6 B 550 GLN A 216 GLN^? 12.04 O3 SO4 A 230 B 591 LEU A 26 LEU^? 12.44 O4 SO4 A 229 B 633 GLU A 28 GLU^? 15.00 O4 SO4 A 229 coo 88.06 44.34 57.19 89.06 45.53 55.74 -8.40 44.89 101.35 -6.72 45.73 100.34 coo 86.70 48.66 52.61 87.15 48.69 50.51 -3.72 45.23 105.02 -4.03 47.08 103.90 coo 95.42 44.52 54.43 93.46 45.31 54.70 -5.36 37.58 106.38 -6.12 37.04 108.31 ULMN 3 1bs4_c01 PEPTIDE DEFORMYLASE user 7 3 # 7 B 550 GLN A 216 GLN^? 12.04 O3 SO4 A 230 B 591 LEU A 30 LEU^? 11.68 O2 SO4 A 229 B 633 GLU A 28 GLU^? 15.00 O4 SO4 A 229 coo 88.06 44.34 57.19 89.06 45.53 55.74 -8.40 44.89 101.35 -6.72 45.73 100.34 coo 86.70 48.66 52.61 87.15 48.69 50.51 -4.96 42.12 99.51 -3.86 42.35 97.67 coo 95.42 44.52 54.43 93.46 45.31 54.70 -5.36 37.58 106.38 -6.12 37.04 108.31 ULMN 3 1bs4_c01 PEPTIDE DEFORMYLASE user 8 3 # 8 B 550 GLN B 79 GLN^? 16.47 O1 SO4 B 229 B 591 LEU B 82 LEU^? 14.72 O1 SO4 B 229 B 633 GLU B 56 GLU^? 14.37 O2 SO4 B 229 coo 88.06 44.34 57.19 89.06 45.53 55.74 -0.64 9.62 90.26 -2.26 10.92 90.79 coo 86.70 48.66 52.61 87.15 48.69 50.51 4.79 11.53 93.25 2.80 11.51 94.05 coo 95.42 44.52 54.43 93.46 45.31 54.70 -2.86 18.57 90.31 -4.55 19.76 89.87 ULMN 3 1bs4_c01 PEPTIDE DEFORMYLASE user 9 3 # 9 B 550 GLN B 98 GLN^? 22.18 O3 SO4 B 229 B 591 LEU B 99 LEU^? 21.97 O3 SO4 B 229 B 633 GLU B 96 GLU^? 19.06 O3 SO4 B 229 coo 88.06 44.34 57.19 89.06 45.53 55.74 -3.58 9.76 123.54 -3.24 10.30 125.57 coo 86.70 48.66 52.61 87.15 48.69 50.51 -9.38 7.45 121.36 -11.53 7.06 121.24 coo 95.42 44.52 54.43 93.46 45.31 54.70 1.17 9.30 120.04 2.75 8.18 119.17 ULMN 3 1bs4_c01 PEPTIDE DEFORMYLASE user 10 3 # 10 B 550 GLN B 146 GLN^? 26.46 O3 SO4 B 229 B 591 LEU B 145 LEU^? 23.15 O3 SO4 B 229 B 633 GLU B 143 GLU^? 21.40 O3 SO4 B 229 coo 88.06 44.34 57.19 89.06 45.53 55.74 -15.82 21.82 129.09 -16.21 23.87 128.73 coo 86.70 48.66 52.61 87.15 48.69 50.51 -12.69 18.37 127.55 -10.72 17.55 126.96 coo 95.42 44.52 54.43 93.46 45.31 54.70 -16.26 24.40 123.16 -17.08 25.33 121.37 ULMN 3 1bs4_c01 PEPTIDE DEFORMYLASE user 11 3 # 11 B 550 GLN B 184 GLN^? 15.80 O1 SO4 B 229 B 591 LEU B 71 LEU^? 11.38 O1 SO4 B 229 B 633 GLU B 87 GLU^? 17.71 O1 SO4 B 229 coo 88.06 44.34 57.19 89.06 45.53 55.74 1.89 5.54 107.57 1.24 4.64 105.75 coo 86.70 48.66 52.61 87.15 48.69 50.51 -1.32 9.46 106.16 -3.25 8.52 106.51 coo 95.42 44.52 54.43 93.46 45.31 54.70 10.05 8.18 103.44 9.48 6.19 103.45 ULMN 3 1bs4_c01 PEPTIDE DEFORMYLASE user 12 3 # 12 B 550 GLN B 216 GLN^? 14.75 O1 SO4 B 229 B 591 LEU B 26 LEU^? 12.30 O3 SO4 B 229 B 633 GLU B 28 GLU^? 14.88 O3 SO4 B 229 coo 88.06 44.34 57.19 89.06 45.53 55.74 11.51 19.20 113.95 10.44 17.69 112.88 coo 86.70 48.66 52.61 87.15 48.69 50.51 5.80 19.95 114.36 6.40 18.01 115.10 coo 95.42 44.52 54.43 93.46 45.31 54.70 7.08 27.54 112.66 7.38 29.31 113.76 ULMN 3 1bs4_c01 PEPTIDE DEFORMYLASE user 13 3 # 13 B 550 GLN B 216 GLN^? 14.75 O1 SO4 B 229 B 591 LEU B 30 LEU^? 11.49 O1 SO4 B 229 B 633 GLU B 28 GLU^? 14.88 O3 SO4 B 229 coo 88.06 44.34 57.19 89.06 45.53 55.74 11.51 19.20 113.95 10.44 17.69 112.88 coo 86.70 48.66 52.61 87.15 48.69 50.51 9.54 20.11 109.48 9.07 18.95 107.69 coo 95.42 44.52 54.43 93.46 45.31 54.70 7.08 27.54 112.66 7.38 29.31 113.76 1bs4_c01 source 1bs4 PEPTIDE DEFORMYLASE : 13 hits 1bs4_c01 naa= 3 ULMN 3 1bs4_c02 PEPTIDE DEFORMYLASE user 1 3 # 1 C1050 GLN A 98 GLN^? 19.44 O4 SO4 A 229 C1091 LEU A 176 LEU^? 17.67 O4 SO4 A 229 C1133 GLU A 96 GLU^? 17.08 O4 SO4 A 229 coo 68.29 34.44 43.03 66.67 34.74 44.37 6.60 56.88 109.41 5.83 57.80 111.13 coo 65.83 38.95 47.05 65.46 38.90 49.20 8.86 58.87 103.69 10.05 57.22 104.39 coo 63.14 29.39 46.25 63.84 31.31 45.74 1.22 55.68 105.58 1.14 56.60 103.71 ULMN 3 1bs4_c02 PEPTIDE DEFORMYLASE user 2 3 # 2 C1050 GLN A 146 GLN^? 20.83 O4 SO4 A 229 C1091 LEU A 145 LEU^? 18.00 O4 SO4 A 229 C1133 GLU A 143 GLU^? 15.50 O1 SO4 A 229 coo 68.29 34.44 43.03 66.67 34.74 44.37 17.30 44.83 118.79 17.81 42.95 119.71 coo 65.83 38.95 47.05 65.46 38.90 49.20 14.77 48.33 116.14 13.12 49.54 116.75 coo 63.14 29.39 46.25 63.84 31.31 45.74 19.40 41.86 113.53 20.16 40.92 111.75 ULMN 3 1bs4_c02 PEPTIDE DEFORMYLASE user 3 3 # 3 C1050 GLN A 184 GLN^? 16.35 O2 SO4 A 229 C1091 LEU A 71 LEU^? 12.09 O2 SO4 A 229 C1133 GLU A 87 GLU^? 17.80 O2 SO4 A 229 coo 68.29 34.44 43.03 66.67 34.74 44.37 4.04 54.49 93.49 5.30 54.66 91.80 coo 65.83 38.95 47.05 65.46 38.90 49.20 7.38 51.02 95.09 9.10 52.28 95.55 coo 63.14 29.39 46.25 63.84 31.31 45.74 -1.36 49.08 88.76 -0.85 50.53 87.31 ULMN 3 1bs4_c02 PEPTIDE DEFORMYLASE user 4 3 # 4 C1050 GLN A 184 GLN^? 16.35 O2 SO4 A 229 C1091 LEU A 71 LEU^? 12.09 O2 SO4 A 229 C1133 GLU A 187 GLU^? 15.53 O2 SO4 A 229 coo 68.29 34.44 43.03 66.67 34.74 44.37 4.04 54.49 93.49 5.30 54.66 91.80 coo 65.83 38.95 47.05 65.46 38.90 49.20 7.38 51.02 95.09 9.10 52.28 95.55 coo 63.14 29.39 46.25 63.84 31.31 45.74 -0.92 50.23 94.11 -1.07 51.49 92.41 ULMN 3 1bs4_c02 PEPTIDE DEFORMYLASE user 5 3 # 5 C1050 GLN A 184 GLN^? 16.35 O2 SO4 A 229 C1091 LEU A 183 LEU^? 17.78 O2 SO4 A 229 C1133 GLU A 187 GLU^? 15.53 O2 SO4 A 229 coo 68.29 34.44 43.03 66.67 34.74 44.37 4.04 54.49 93.49 5.30 54.66 91.80 coo 65.83 38.95 47.05 65.46 38.90 49.20 2.06 56.81 98.16 0.35 57.54 99.42 coo 63.14 29.39 46.25 63.84 31.31 45.74 -0.92 50.23 94.11 -1.07 51.49 92.41 ULMN 3 1bs4_c02 PEPTIDE DEFORMYLASE user 6 3 # 6 C1050 GLN A 216 GLN^? 12.04 O3 SO4 A 230 C1091 LEU A 30 LEU^? 11.68 O2 SO4 A 229 C1133 GLU A 28 GLU^? 15.00 O4 SO4 A 229 coo 68.29 34.44 43.03 66.67 34.74 44.37 -8.40 44.89 101.35 -6.72 45.73 100.34 coo 65.83 38.95 47.05 65.46 38.90 49.20 -4.96 42.12 99.51 -3.86 42.35 97.67 coo 63.14 29.39 46.25 63.84 31.31 45.74 -5.36 37.58 106.38 -6.12 37.04 108.31 ULMN 3 1bs4_c02 PEPTIDE DEFORMYLASE user 7 3 # 7 C1050 GLN B 79 GLN^? 16.47 O1 SO4 B 229 C1091 LEU B 82 LEU^? 14.72 O1 SO4 B 229 C1133 GLU B 56 GLU^? 14.37 O2 SO4 B 229 coo 68.29 34.44 43.03 66.67 34.74 44.37 -0.64 9.62 90.26 -2.26 10.92 90.79 coo 65.83 38.95 47.05 65.46 38.90 49.20 4.79 11.53 93.25 2.80 11.51 94.05 coo 63.14 29.39 46.25 63.84 31.31 45.74 -2.86 18.57 90.31 -4.55 19.76 89.87 ULMN 3 1bs4_c02 PEPTIDE DEFORMYLASE user 8 3 # 8 C1050 GLN B 98 GLN^? 22.18 O3 SO4 B 229 C1091 LEU B 99 LEU^? 21.97 O3 SO4 B 229 C1133 GLU B 96 GLU^? 19.06 O3 SO4 B 229 coo 68.29 34.44 43.03 66.67 34.74 44.37 -3.58 9.76 123.54 -3.24 10.30 125.57 coo 65.83 38.95 47.05 65.46 38.90 49.20 -9.38 7.45 121.36 -11.53 7.06 121.24 coo 63.14 29.39 46.25 63.84 31.31 45.74 1.17 9.30 120.04 2.75 8.18 119.17 ULMN 3 1bs4_c02 PEPTIDE DEFORMYLASE user 9 3 # 9 C1050 GLN B 146 GLN^? 26.46 O3 SO4 B 229 C1091 LEU B 145 LEU^? 23.15 O3 SO4 B 229 C1133 GLU B 143 GLU^? 21.40 O3 SO4 B 229 coo 68.29 34.44 43.03 66.67 34.74 44.37 -15.82 21.82 129.09 -16.21 23.87 128.73 coo 65.83 38.95 47.05 65.46 38.90 49.20 -12.69 18.37 127.55 -10.72 17.55 126.96 coo 63.14 29.39 46.25 63.84 31.31 45.74 -16.26 24.40 123.16 -17.08 25.33 121.37 ULMN 3 1bs4_c02 PEPTIDE DEFORMYLASE user 10 3 # 10 C1050 GLN B 184 GLN^? 15.80 O1 SO4 B 229 C1091 LEU B 71 LEU^? 11.38 O1 SO4 B 229 C1133 GLU B 87 GLU^? 17.71 O1 SO4 B 229 coo 68.29 34.44 43.03 66.67 34.74 44.37 1.89 5.54 107.57 1.24 4.64 105.75 coo 65.83 38.95 47.05 65.46 38.90 49.20 -1.32 9.46 106.16 -3.25 8.52 106.51 coo 63.14 29.39 46.25 63.84 31.31 45.74 10.05 8.18 103.44 9.48 6.19 103.45 ULMN 3 1bs4_c02 PEPTIDE DEFORMYLASE user 11 3 # 11 C1050 GLN B 216 GLN^? 14.75 O1 SO4 B 229 C1091 LEU B 30 LEU^? 11.49 O1 SO4 B 229 C1133 GLU B 28 GLU^? 14.88 O3 SO4 B 229 coo 68.29 34.44 43.03 66.67 34.74 44.37 11.51 19.20 113.95 10.44 17.69 112.88 coo 65.83 38.95 47.05 65.46 38.90 49.20 9.54 20.11 109.48 9.07 18.95 107.69 coo 63.14 29.39 46.25 63.84 31.31 45.74 7.08 27.54 112.66 7.38 29.31 113.76 1bs4_c02 source 1bs4 PEPTIDE DEFORMYLASE : 11 hits 1bs4_c02 naa= 3 ULMN 3 1bsj_c00 PEPTIDE DEFORMYLASE user 1 3 # 1 A 50 GLN A 98 GLN^? 19.44 O4 SO4 A 229 A 91 LEU A 176 LEU^? 17.67 O4 SO4 A 229 A 133 GLU A 96 GLU^? 17.08 O4 SO4 A 229 coo 38.23 53.34 67.59 38.84 53.87 69.56 6.60 56.88 109.41 5.83 57.80 111.13 coo 35.40 53.22 73.30 35.37 54.87 74.74 8.86 58.87 103.69 10.05 57.22 104.39 coo 45.08 56.04 70.60 43.15 55.19 70.77 1.22 55.68 105.58 1.14 56.60 103.71 ULMN 3 1bsj_c00 PEPTIDE DEFORMYLASE user 2 3 # 2 A 50 GLN A 184 GLN^? 16.35 O2 SO4 A 229 A 91 LEU A 71 LEU^? 12.09 O2 SO4 A 229 A 133 GLU A 87 GLU^? 17.80 O2 SO4 A 229 coo 38.23 53.34 67.59 38.84 53.87 69.56 4.04 54.49 93.49 5.30 54.66 91.80 coo 35.40 53.22 73.30 35.37 54.87 74.74 7.38 51.02 95.09 9.10 52.28 95.55 coo 45.08 56.04 70.60 43.15 55.19 70.77 -1.36 49.08 88.76 -0.85 50.53 87.31 ULMN 3 1bsj_c00 PEPTIDE DEFORMYLASE user 3 3 # 3 A 50 GLN B 79 GLN^? 16.47 O1 SO4 B 229 A 91 LEU B 82 LEU^? 14.72 O1 SO4 B 229 A 133 GLU B 56 GLU^? 14.37 O2 SO4 B 229 coo 38.23 53.34 67.59 38.84 53.87 69.56 -0.64 9.62 90.26 -2.26 10.92 90.79 coo 35.40 53.22 73.30 35.37 54.87 74.74 4.79 11.53 93.25 2.80 11.51 94.05 coo 45.08 56.04 70.60 43.15 55.19 70.77 -2.86 18.57 90.31 -4.55 19.76 89.87 ULMN 3 1bsj_c00 PEPTIDE DEFORMYLASE user 4 3 # 4 A 50 GLN B 184 GLN^? 15.80 O1 SO4 B 229 A 91 LEU B 71 LEU^? 11.38 O1 SO4 B 229 A 133 GLU B 87 GLU^? 17.71 O1 SO4 B 229 coo 38.23 53.34 67.59 38.84 53.87 69.56 1.89 5.54 107.57 1.24 4.64 105.75 coo 35.40 53.22 73.30 35.37 54.87 74.74 -1.32 9.46 106.16 -3.25 8.52 106.51 coo 45.08 56.04 70.60 43.15 55.19 70.77 10.05 8.18 103.44 9.48 6.19 103.45 ULMN 3 1bsj_c00 PEPTIDE DEFORMYLASE user 5 3 # 5 A 50 GLN B 184 GLN^? 15.80 O1 SO4 B 229 A 91 LEU B 183 LEU^? 17.78 O1 SO4 B 229 A 133 GLU B 87 GLU^? 17.71 O1 SO4 B 229 coo 38.23 53.34 67.59 38.84 53.87 69.56 1.89 5.54 107.57 1.24 4.64 105.75 coo 35.40 53.22 73.30 35.37 54.87 74.74 2.66 5.32 112.63 4.77 5.52 113.23 coo 45.08 56.04 70.60 43.15 55.19 70.77 10.05 8.18 103.44 9.48 6.19 103.45 ULMN 3 1bsj_c00 PEPTIDE DEFORMYLASE user 6 3 # 6 A 50 GLN B 216 GLN^? 14.75 O1 SO4 B 229 A 91 LEU B 30 LEU^? 11.49 O1 SO4 B 229 A 133 GLU B 28 GLU^? 14.88 O3 SO4 B 229 coo 38.23 53.34 67.59 38.84 53.87 69.56 11.51 19.20 113.95 10.44 17.69 112.88 coo 35.40 53.22 73.30 35.37 54.87 74.74 9.54 20.11 109.48 9.07 18.95 107.69 coo 45.08 56.04 70.60 43.15 55.19 70.77 7.08 27.54 112.66 7.38 29.31 113.76 1bsj_c00 source 1bsj PEPTIDE DEFORMYLASE : 6 hits 1bsj_c00 naa= 3 ULMN 3 1bvz_c08 ALPHA-AMYLASE II user 1 3 # 1 A 325 ASP A 133 ASP^? 29.47 O1 SO4 A 229 A 354 GLU A 135 GLU^? 26.04 O1 SO4 A 229 A 421 ASP A 154 ASP^? 25.59 O1 SO4 A 229 coo 31.05 49.37 64.51 31.97 51.11 63.85 28.68 60.10 102.11 30.08 60.54 100.57 coo 29.07 50.42 58.36 29.02 52.18 59.49 28.90 53.95 105.73 29.85 54.07 107.68 coo 30.82 59.76 58.47 31.12 59.02 60.40 22.41 56.72 112.09 24.50 56.74 112.55 1bvz_c08 source 1bvz ALPHA-AMYLASE II : 1 hits 1bvz_c08 naa= 3 ULMN 3 1bvz_c09 ALPHA-AMYLASE II user 1 3 # 1 B 325 ASP A 133 ASP^? 29.47 O1 SO4 A 229 B 354 GLU A 135 GLU^? 26.04 O1 SO4 A 229 B 421 ASP A 154 ASP^? 25.59 O1 SO4 A 229 coo 25.90 8.19 53.87 25.36 6.97 52.29 28.68 60.10 102.11 30.08 60.54 100.57 coo 27.87 10.66 47.95 27.82 8.60 48.27 28.90 53.95 105.73 29.85 54.07 107.68 coo 26.02 1.87 43.38 25.90 1.97 45.49 22.41 56.72 112.09 24.50 56.74 112.55 1bvz_c09 source 1bvz ALPHA-AMYLASE II : 1 hits 1bvz_c09 naa= 3 ULMN 3 1bzc_c00 PROTEIN-TYROSINE-PHOSPHATASE user 1 3 # 1 A 181 ASP A 154 ASP^? 25.59 O1 SO4 A 229 A 215 CYH A 101 CYH^? 24.07 O4 SO4 A 229 A 221 ARG A 102 ARG^? 26.30 O1 SO4 A 229 coo -20.67 62.35 15.68 -20.16 63.09 17.59 22.41 56.72 112.09 24.50 56.74 112.55 coo -17.06 60.65 8.77 -19.43 59.04 8.89 16.31 57.21 114.20 15.99 59.89 113.39 coo -21.54 63.29 10.68 -19.32 62.77 12.69 20.87 56.76 118.88 22.55 56.51 116.31 ULMN 3 1bzc_c00 PROTEIN-TYROSINE-PHOSPHATASE user 2 3 # 2 A 181 ASP B 154 ASP^? 28.34 O3 SO4 B 229 A 215 CYH B 101 CYH^? 26.55 O3 SO4 B 229 A 221 ARG B 102 ARG^? 29.89 O3 SO4 B 229 coo -20.67 62.35 15.68 -20.16 63.09 17.59 -19.38 9.09 123.27 -21.52 8.99 123.42 coo -17.06 60.65 8.77 -19.43 59.04 8.89 -13.61 9.02 126.06 -13.33 6.29 125.42 coo -21.54 63.29 10.68 -19.32 62.77 12.69 -18.79 9.83 130.39 -20.19 10.03 127.65 1bzc_c00 source 1bzc PROTEIN-TYROSINE-PHOSPHATASE : 2 hits 1bzc_c00 naa= 3 ULMN 3 1c54_c00 RIBONUCLEASE SA user 1 3 # 1 A 54 GLU A 28 GLU^? 15.00 O4 SO4 A 229 A 65 ARG B 49 ARG^? -5.45 O4 SO4 B 229s A 85 HIS A 47 HIS^? 9.70 O3 SO4 A 229 coo -3.75 5.08 -16.45 -4.49 7.03 -16.67 -5.36 37.58 106.38 -6.12 37.04 108.31 coo -11.31 0.89 -21.51 -13.74 2.37 -20.15 -5.59 26.20 104.46 -4.44 26.24 107.34 coo -11.98 -0.40 -12.41 -12.65 1.37 -13.15 0.48 32.34 101.22 -1.58 32.73 101.11 1c54_c00 source 1c54 RIBONUCLEASE SA : 1 hits 1c54_c00 naa= 3 ULMN 3 1c82_c01 HYALURONATE LYASE user 1 3 # 1 A 399 HIS A 47 HIS^? 9.70 O3 SO4 A 229 A 408 TYR A 45 TYR^? 12.83 O3 SO4 A 229 A 462 ARG A 54 ARG^? -2.64 O2 SO4 A 229s coo 13.02 -18.02 35.24 12.75 -16.25 34.15 0.48 32.34 101.22 -1.58 32.73 101.11 coo 7.81 -17.82 32.55 9.60 -15.69 32.78 -3.49 33.26 97.33 -5.14 35.38 96.58 coo 10.34 -11.56 38.02 10.61 -11.96 35.00 5.30 36.31 96.12 6.03 38.74 97.87 ULMN 3 1c82_c01 HYALURONATE LYASE user 2 3 # 2 A 399 HIS A 47 HIS^? 9.70 O3 SO4 A 229 A 408 TYR A 45 TYR^? 12.83 O3 SO4 A 229 A 462 ARG B 49 ARG^? -5.45 O4 SO4 B 229s coo 13.02 -18.02 35.24 12.75 -16.25 34.15 0.48 32.34 101.22 -1.58 32.73 101.11 coo 7.81 -17.82 32.55 9.60 -15.69 32.78 -3.49 33.26 97.33 -5.14 35.38 96.58 coo 10.34 -11.56 38.02 10.61 -11.96 35.00 -5.59 26.20 104.46 -4.44 26.24 107.34 ULMN 3 1c82_c01 HYALURONATE LYASE user 3 3 # 3 A 399 HIS A 47 HIS^? 9.70 O3 SO4 A 229 A 408 TYR A 228 TYR^? 12.29 O4 SO4 B 229 A 462 ARG B 49 ARG^? -5.45 O4 SO4 B 229s coo 13.02 -18.02 35.24 12.75 -16.25 34.15 0.48 32.34 101.22 -1.58 32.73 101.11 coo 7.81 -17.82 32.55 9.60 -15.69 32.78 -6.50 33.95 102.32 -5.45 34.14 104.92 coo 10.34 -11.56 38.02 10.61 -11.96 35.00 -5.59 26.20 104.46 -4.44 26.24 107.34 ULMN 3 1c82_c01 HYALURONATE LYASE user 4 3 # 4 A 399 HIS B 47 HIS^? 9.69 O4 SO4 B 229 A 408 TYR B 45 TYR^? 13.10 O4 SO4 B 229 A 462 ARG A 49 ARG^? -7.08 O1 SO4 A 229s coo 13.02 -18.02 35.24 12.75 -16.25 34.15 4.75 28.44 103.45 6.59 28.31 104.44 coo 7.81 -17.82 32.55 9.60 -15.69 32.78 10.04 26.44 102.60 11.44 24.36 103.85 coo 10.34 -11.56 38.02 10.61 -11.96 35.00 10.25 36.07 104.69 11.36 37.50 107.24 ULMN 3 1c82_c01 HYALURONATE LYASE user 5 3 # 5 A 399 HIS B 47 HIS^? 9.69 O4 SO4 B 229 A 408 TYR B 45 TYR^? 13.10 O4 SO4 B 229 A 462 ARG B 54 ARG^? -2.73 O1 SO4 B 229s coo 13.02 -18.02 35.24 12.75 -16.25 34.15 4.75 28.44 103.45 6.59 28.31 104.44 coo 7.81 -17.82 32.55 9.60 -15.69 32.78 10.04 26.44 102.60 11.44 24.36 103.85 coo 10.34 -11.56 38.02 10.61 -11.96 35.00 2.04 21.87 100.04 0.47 20.79 102.47 ULMN 3 1c82_c01 HYALURONATE LYASE user 6 3 # 6 A 399 HIS B 47 HIS^? 9.69 O4 SO4 B 229 A 408 TYR B 228 TYR^? 12.23 O3 SO4 A 229 A 462 ARG A 49 ARG^? -7.08 O1 SO4 A 229s coo 13.02 -18.02 35.24 12.75 -16.25 34.15 4.75 28.44 103.45 6.59 28.31 104.44 coo 7.81 -17.82 32.55 9.60 -15.69 32.78 10.57 28.77 107.84 8.55 29.75 109.51 coo 10.34 -11.56 38.02 10.61 -11.96 35.00 10.25 36.07 104.69 11.36 37.50 107.24 1c82_c01 source 1c82 HYALURONATE LYASE : 6 hits 1c82_c01 naa= 3 ULMN 3 1c82_c02 HYALURONATE LYASE user 1 3 # 1 A 399 HIS A 47 HIS^? 9.70 O3 SO4 A 229 A 408 TYR A 45 TYR^? 12.83 O3 SO4 A 229 A 480 ARG A 193 ARG^? 10.95 O4 SO4 A 231 coo 13.02 -18.02 35.24 12.75 -16.25 34.15 0.48 32.34 101.22 -1.58 32.73 101.11 coo 7.81 -17.82 32.55 9.60 -15.69 32.78 -3.49 33.26 97.33 -5.14 35.38 96.58 coo -6.46 -13.31 26.85 -4.21 -11.25 27.13 5.91 33.86 82.10 3.69 32.12 83.32 ULMN 3 1c82_c02 HYALURONATE LYASE user 2 3 # 2 A 399 HIS A 47 HIS^? 9.70 O3 SO4 A 229 A 408 TYR A 228 TYR^? 12.29 O4 SO4 B 229 A 480 ARG A 218 ARG^? -3.99 O3 SO4 A 230s coo 13.02 -18.02 35.24 12.75 -16.25 34.15 0.48 32.34 101.22 -1.58 32.73 101.11 coo 7.81 -17.82 32.55 9.60 -15.69 32.78 -6.50 33.95 102.32 -5.45 34.14 104.92 coo -6.46 -13.31 26.85 -4.21 -11.25 27.13 -18.37 44.02 103.00 -17.96 43.09 100.10 ULMN 3 1c82_c02 HYALURONATE LYASE user 3 3 # 3 A 399 HIS A 142 HIS^? 12.26 O4 SO4 A 229 A 408 TYR A 141 TYR^? 9.25 O4 SO4 A 229 A 480 ARG A 54 ARG^? -2.64 O2 SO4 A 229s coo 13.02 -18.02 35.24 12.75 -16.25 34.15 13.21 42.55 113.57 11.63 42.05 112.27 coo 7.81 -17.82 32.55 9.60 -15.69 32.78 12.91 44.78 109.54 12.66 42.85 107.55 coo -6.46 -13.31 26.85 -4.21 -11.25 27.13 5.30 36.31 96.12 6.03 38.74 97.87 ULMN 3 1c82_c02 HYALURONATE LYASE user 4 3 # 4 A 399 HIS B 47 HIS^? 9.69 O4 SO4 B 229 A 408 TYR B 228 TYR^? 12.23 O3 SO4 A 229 A 480 ARG B 218 ARG^? 24.95 O1 SO4 B 229 coo 13.02 -18.02 35.24 12.75 -16.25 34.15 4.75 28.44 103.45 6.59 28.31 104.44 coo 7.81 -17.82 32.55 9.60 -15.69 32.78 10.57 28.77 107.84 8.55 29.75 109.51 coo -6.46 -13.31 26.85 -4.21 -11.25 27.13 19.88 22.79 118.45 20.69 21.06 116.02 1c82_c02 source 1c82 HYALURONATE LYASE : 4 hits 1c82_c02 naa= 3 ULMN 3 1cb8_c01 CHONDROITINASE AC user 1 3 # 1 A 225 HIS A 47 HIS^? 9.70 O3 SO4 A 229 A 234 TYR A 45 TYR^? 12.83 O3 SO4 A 229 A 288 ARG A 54 ARG^? -2.64 O2 SO4 A 229s coo 27.04 28.61 41.75 26.86 28.65 43.84 0.48 32.34 101.22 -1.58 32.73 101.11 coo 21.80 30.48 43.67 23.70 29.06 45.12 -3.49 33.26 97.33 -5.14 35.38 96.58 coo 24.79 22.62 45.60 24.87 25.42 46.81 5.30 36.31 96.12 6.03 38.74 97.87 ULMN 3 1cb8_c01 CHONDROITINASE AC user 2 3 # 2 A 225 HIS A 47 HIS^? 9.70 O3 SO4 A 229 A 234 TYR A 45 TYR^? 12.83 O3 SO4 A 229 A 288 ARG B 49 ARG^? -5.45 O4 SO4 B 229s coo 27.04 28.61 41.75 26.86 28.65 43.84 0.48 32.34 101.22 -1.58 32.73 101.11 coo 21.80 30.48 43.67 23.70 29.06 45.12 -3.49 33.26 97.33 -5.14 35.38 96.58 coo 24.79 22.62 45.60 24.87 25.42 46.81 -5.59 26.20 104.46 -4.44 26.24 107.34 ULMN 3 1cb8_c01 CHONDROITINASE AC user 3 3 # 3 A 225 HIS A 47 HIS^? 9.70 O3 SO4 A 229 A 234 TYR A 228 TYR^? 12.29 O4 SO4 B 229 A 288 ARG B 49 ARG^? -5.45 O4 SO4 B 229s coo 27.04 28.61 41.75 26.86 28.65 43.84 0.48 32.34 101.22 -1.58 32.73 101.11 coo 21.80 30.48 43.67 23.70 29.06 45.12 -6.50 33.95 102.32 -5.45 34.14 104.92 coo 24.79 22.62 45.60 24.87 25.42 46.81 -5.59 26.20 104.46 -4.44 26.24 107.34 ULMN 3 1cb8_c01 CHONDROITINASE AC user 4 3 # 4 A 225 HIS B 47 HIS^? 9.69 O4 SO4 B 229 A 234 TYR B 45 TYR^? 13.10 O4 SO4 B 229 A 288 ARG A 49 ARG^? -7.08 O1 SO4 A 229s coo 27.04 28.61 41.75 26.86 28.65 43.84 4.75 28.44 103.45 6.59 28.31 104.44 coo 21.80 30.48 43.67 23.70 29.06 45.12 10.04 26.44 102.60 11.44 24.36 103.85 coo 24.79 22.62 45.60 24.87 25.42 46.81 10.25 36.07 104.69 11.36 37.50 107.24 ULMN 3 1cb8_c01 CHONDROITINASE AC user 5 3 # 5 A 225 HIS B 47 HIS^? 9.69 O4 SO4 B 229 A 234 TYR B 45 TYR^? 13.10 O4 SO4 B 229 A 288 ARG B 54 ARG^? -2.73 O1 SO4 B 229s coo 27.04 28.61 41.75 26.86 28.65 43.84 4.75 28.44 103.45 6.59 28.31 104.44 coo 21.80 30.48 43.67 23.70 29.06 45.12 10.04 26.44 102.60 11.44 24.36 103.85 coo 24.79 22.62 45.60 24.87 25.42 46.81 2.04 21.87 100.04 0.47 20.79 102.47 ULMN 3 1cb8_c01 CHONDROITINASE AC user 6 3 # 6 A 225 HIS B 47 HIS^? 9.69 O4 SO4 B 229 A 234 TYR B 228 TYR^? 12.23 O3 SO4 A 229 A 288 ARG A 49 ARG^? -7.08 O1 SO4 A 229s coo 27.04 28.61 41.75 26.86 28.65 43.84 4.75 28.44 103.45 6.59 28.31 104.44 coo 21.80 30.48 43.67 23.70 29.06 45.12 10.57 28.77 107.84 8.55 29.75 109.51 coo 24.79 22.62 45.60 24.87 25.42 46.81 10.25 36.07 104.69 11.36 37.50 107.24 1cb8_c01 source 1cb8 CHONDROITINASE AC : 6 hits 1cb8_c01 naa= 3 ULMN 3 1cbx_c01 CARBOXYPEPTIDASE A (E.C.3.4.17.1) COuser 1 3 # 1 71 ARG A 49 ARG^? -7.08 O1 SO4 A 229s 127 ARG A 117 ARG^? 9.09 O1 SO4 A 229 270 GLU A 143 GLU^? 15.50 O1 SO4 A 229 coo -0.83 25.63 1.57 0.97 28.05 0.90 10.25 36.07 104.69 11.36 37.50 107.24 coo 2.68 26.75 -2.61 1.18 28.07 -5.02 15.20 37.23 104.25 15.70 38.54 107.02 coo -7.78 30.85 -7.94 -6.11 29.80 -7.25 19.40 41.86 113.53 20.16 40.92 111.75 ULMN 3 1cbx_c01 CARBOXYPEPTIDASE A (E.C.3.4.17.1) COuser 2 3 # 2 71 ARG A 117 ARG^? 9.09 O1 SO4 A 229 127 ARG A 49 ARG^? -7.08 O1 SO4 A 229s 270 GLU A 143 GLU^? 15.50 O1 SO4 A 229 coo -0.83 25.63 1.57 0.97 28.05 0.90 15.20 37.23 104.25 15.70 38.54 107.02 coo 2.68 26.75 -2.61 1.18 28.07 -5.02 10.25 36.07 104.69 11.36 37.50 107.24 coo -7.78 30.85 -7.94 -6.11 29.80 -7.25 19.40 41.86 113.53 20.16 40.92 111.75 ULMN 3 1cbx_c01 CARBOXYPEPTIDASE A (E.C.3.4.17.1) COuser 3 3 # 3 71 ARG A 117 ARG^? 9.09 O1 SO4 A 229 127 ARG A 49 ARG^? -7.08 O1 SO4 A 229s 270 GLU B 225 GLU^? 19.49 O1 SO4 A 229 coo -0.83 25.63 1.57 0.97 28.05 0.90 15.20 37.23 104.25 15.70 38.54 107.02 coo 2.68 26.75 -2.61 1.18 28.07 -5.02 10.25 36.07 104.69 11.36 37.50 107.24 coo -7.78 30.85 -7.94 -6.11 29.80 -7.25 14.37 32.38 117.86 15.62 34.05 118.38 1cbx_c01 source 1cbx CARBOXYPEPTIDASE A (E.C.3.4.17.1) COMPLEX WITH: 3 hits 1cbx_c01 naa= 3 ULMN 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 1 3 # 1 229 ASP A 52 ASP^? 8.69 O1 SO4 A 229 264 GLU A 87 GLU^? 17.80 O2 SO4 A 229 328 ASP A 120 ASP^? 7.17 O2 SO4 A 229 coo 45.62 80.42 43.69 45.65 82.01 45.07 13.74 39.26 94.65 14.56 41.23 94.45 coo 59.69 92.71 39.85 58.53 92.03 41.47 -1.36 49.08 88.76 -0.85 50.53 87.31 coo 45.39 90.72 40.63 45.07 89.14 41.90 9.29 47.78 99.49 7.80 47.36 98.01 ULMN 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 2 3 # 2 229 ASP A 115 ASP^? 8.58 O1 SO4 A 229 264 GLU A 74 GLU^? 15.20 O4 SO4 A 231 328 ASP A 52 ASP^? 8.69 O1 SO4 A 229 coo 45.62 80.42 43.69 45.65 82.01 45.07 15.77 43.56 105.82 15.72 41.47 106.14 coo 59.69 92.71 39.85 58.53 92.03 41.47 6.06 51.55 88.92 5.14 51.51 86.98 coo 45.39 90.72 40.63 45.07 89.14 41.90 13.74 39.26 94.65 14.56 41.23 94.45 ULMN 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 3 3 # 3 229 ASP A 115 ASP^? 8.58 O1 SO4 A 229 264 GLU A 96 GLU^? 17.08 O4 SO4 A 229 328 ASP A 120 ASP^? 7.17 O2 SO4 A 229 coo 45.62 80.42 43.69 45.65 82.01 45.07 15.77 43.56 105.82 15.72 41.47 106.14 coo 59.69 92.71 39.85 58.53 92.03 41.47 1.22 55.68 105.58 1.14 56.60 103.71 coo 45.39 90.72 40.63 45.07 89.14 41.90 9.29 47.78 99.49 7.80 47.36 98.01 ULMN 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 4 3 # 4 229 ASP A 126 ASP^? 16.24 O1 SO4 A 229 264 GLU A 96 GLU^? 17.08 O4 SO4 A 229 328 ASP A 120 ASP^? 7.17 O2 SO4 A 229 coo 45.62 80.42 43.69 45.65 82.01 45.07 18.12 53.54 96.53 19.31 51.77 96.80 coo 59.69 92.71 39.85 58.53 92.03 41.47 1.22 55.68 105.58 1.14 56.60 103.71 coo 45.39 90.72 40.63 45.07 89.14 41.90 9.29 47.78 99.49 7.80 47.36 98.01 ULMN 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 5 3 # 5 229 ASP A 126 ASP^? 16.24 O1 SO4 A 229 264 GLU A 96 GLU^? 17.08 O4 SO4 A 229 328 ASP A 179 ASP^? 20.51 O2 SO4 A 229 coo 45.62 80.42 43.69 45.65 82.01 45.07 18.12 53.54 96.53 19.31 51.77 96.80 coo 59.69 92.71 39.85 58.53 92.03 41.47 1.22 55.68 105.58 1.14 56.60 103.71 coo 45.39 90.72 40.63 45.07 89.14 41.90 9.62 60.80 96.72 10.25 60.11 94.85 ULMN 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 6 3 # 6 229 ASP A 126 ASP^? 16.24 O1 SO4 A 229 264 GLU A 187 GLU^? 15.53 O2 SO4 A 229 328 ASP A 179 ASP^? 20.51 O2 SO4 A 229 coo 45.62 80.42 43.69 45.65 82.01 45.07 18.12 53.54 96.53 19.31 51.77 96.80 coo 59.69 92.71 39.85 58.53 92.03 41.47 -0.92 50.23 94.11 -1.07 51.49 92.41 coo 45.39 90.72 40.63 45.07 89.14 41.90 9.62 60.80 96.72 10.25 60.11 94.85 ULMN 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 7 3 # 7 229 ASP A 195 ASP^? 8.92 O2 SO4 A 231 264 GLU A 56 GLU^? 10.40 O3 SO4 A 231 328 ASP A 64 ASP^? 16.48 O4 SO4 A 231 coo 45.62 80.42 43.69 45.65 82.01 45.07 4.21 36.83 75.89 5.47 37.96 74.68 coo 59.69 92.71 39.85 58.53 92.03 41.47 14.22 34.54 89.57 15.78 33.95 90.89 coo 45.39 90.72 40.63 45.07 89.14 41.90 -0.89 32.13 86.35 -1.06 30.06 86.04 ULMN 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 8 3 # 8 229 ASP A 196 ASP^? 13.16 O4 SO4 A 231 264 GLU B 56 GLU^? 14.37 O2 SO4 B 229 328 ASP A 11 ASP.? 21.96 O2 SO4 A 231 coo 45.62 80.42 43.69 45.65 82.01 45.07 1.09 35.34 80.24 -0.14 33.75 80.95 coo 59.69 92.71 39.85 58.53 92.03 41.47 -2.86 18.57 90.31 -4.55 19.76 89.87 coo 45.39 90.72 40.63 45.07 89.14 41.90 -4.20 26.29 77.28 -4.78 26.04 75.24 ULMN 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 9 3 # 9 229 ASP B 115 ASP^? 13.85 O3 SO4 B 229 264 GLU B 28 GLU^? 14.88 O3 SO4 B 229 328 ASP B 120 ASP^? 8.68 O3 SO4 B 229 coo 45.62 80.42 43.69 45.65 82.01 45.07 -12.10 21.41 116.25 -11.91 23.51 116.16 coo 59.69 92.71 39.85 58.53 92.03 41.47 7.08 27.54 112.66 7.38 29.31 113.76 coo 45.39 90.72 40.63 45.07 89.14 41.90 -4.32 17.92 112.37 -3.28 16.49 113.53 ULMN 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 10 3 # 10 229 ASP B 115 ASP^? 13.85 O3 SO4 B 229 264 GLU B 96 GLU^? 19.06 O3 SO4 B 229 328 ASP B 120 ASP^? 8.68 O3 SO4 B 229 coo 45.62 80.42 43.69 45.65 82.01 45.07 -12.10 21.41 116.25 -11.91 23.51 116.16 coo 59.69 92.71 39.85 58.53 92.03 41.47 1.17 9.30 120.04 2.75 8.18 119.17 coo 45.39 90.72 40.63 45.07 89.14 41.90 -4.32 17.92 112.37 -3.28 16.49 113.53 ULMN 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 11 3 # 11 229 ASP B 120 ASP^? 8.68 O3 SO4 B 229 264 GLU A 225 GLU^? 13.76 O3 SO4 A 230 328 ASP B 115 ASP^? 13.85 O3 SO4 B 229 coo 45.62 80.42 43.69 45.65 82.01 45.07 -4.32 17.92 112.37 -3.28 16.49 113.53 coo 59.69 92.71 39.85 58.53 92.03 41.47 -14.25 35.84 110.00 -12.75 37.08 110.88 coo 45.39 90.72 40.63 45.07 89.14 41.90 -12.10 21.41 116.25 -11.91 23.51 116.16 ULMN 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 12 3 # 12 229 ASP B 120 ASP^? 8.68 O3 SO4 B 229 264 GLU B 135 GLU^? 26.24 O2 SO4 B 229 328 ASP B 115 ASP^? 13.85 O3 SO4 B 229 coo 45.62 80.42 43.69 45.65 82.01 45.07 -4.32 17.92 112.37 -3.28 16.49 113.53 coo 59.69 92.71 39.85 58.53 92.03 41.47 -23.94 13.15 115.56 -25.55 13.68 116.83 coo 45.39 90.72 40.63 45.07 89.14 41.90 -12.10 21.41 116.25 -11.91 23.51 116.16 ULMN 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 13 3 # 13 229 ASP B 120 ASP^? 8.68 O3 SO4 B 229 264 GLU B 135 GLU^? 26.24 O2 SO4 B 229 328 ASP B 126 ASP^? 13.57 O2 SO4 B 229 coo 45.62 80.42 43.69 45.65 82.01 45.07 -4.32 17.92 112.37 -3.28 16.49 113.53 coo 59.69 92.71 39.85 58.53 92.03 41.47 -23.94 13.15 115.56 -25.55 13.68 116.83 coo 45.39 90.72 40.63 45.07 89.14 41.90 -11.35 10.60 108.40 -13.06 11.59 107.65 ULMN 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 14 3 # 14 229 ASP B 126 ASP^? 13.57 O2 SO4 B 229 264 GLU B 96 GLU^? 19.06 O3 SO4 B 229 328 ASP B 120 ASP^? 8.68 O3 SO4 B 229 coo 45.62 80.42 43.69 45.65 82.01 45.07 -11.35 10.60 108.40 -13.06 11.59 107.65 coo 59.69 92.71 39.85 58.53 92.03 41.47 1.17 9.30 120.04 2.75 8.18 119.17 coo 45.39 90.72 40.63 45.07 89.14 41.90 -4.32 17.92 112.37 -3.28 16.49 113.53 ULMN 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 15 3 # 15 229 ASP B 126 ASP^? 13.57 O2 SO4 B 229 264 GLU B 187 GLU^? 15.82 O1 SO4 B 229 328 ASP B 120 ASP^? 8.68 O3 SO4 B 229 coo 45.62 80.42 43.69 45.65 82.01 45.07 -11.35 10.60 108.40 -13.06 11.59 107.65 coo 59.69 92.71 39.85 58.53 92.03 41.47 5.79 8.67 109.77 5.71 6.74 108.88 coo 45.39 90.72 40.63 45.07 89.14 41.90 -4.32 17.92 112.37 -3.28 16.49 113.53 ULMN 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 16 3 # 16 229 ASP B 126 ASP^? 13.57 O2 SO4 B 229 264 GLU B 187 GLU^? 15.82 O1 SO4 B 229 328 ASP B 179 ASP^? 19.53 O1 SO4 B 229 coo 45.62 80.42 43.69 45.65 82.01 45.07 -11.35 10.60 108.40 -13.06 11.59 107.65 coo 59.69 92.71 39.85 58.53 92.03 41.47 5.79 8.67 109.77 5.71 6.74 108.88 coo 45.39 90.72 40.63 45.07 89.14 41.90 -5.05 2.01 112.29 -5.62 2.01 110.23 1cdg_c00 source 1cdg CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.C.2.4.1.19: 16 hits 1cdg_c00 naa= 3 ULMN 3 1cjy_c00 CYTOSOLIC PHOSPHOLIPASE A2 user 1 3 # 1 A 198 GLY A 50 GLY^? -3.07 O1 SO4 A 229s A 228 SER A 118 SER^? 6.22 O1 SO4 A 229 A 549 ASP A 115 ASP^? 8.58 O1 SO4 A 229 coo 43.62 -9.31 54.06 43.04 -9.29 54.58 10.35 37.93 99.14 9.60 37.73 98.91 coo 45.99 -4.81 58.63 47.02 -6.84 57.75 12.94 43.53 101.47 11.74 45.37 102.38 coo 51.69 -5.84 58.91 49.67 -6.52 58.93 15.77 43.56 105.82 15.72 41.47 106.14 ULMN 3 1cjy_c00 CYTOSOLIC PHOSPHOLIPASE A2 user 2 3 # 2 A 198 GLY A 50 GLY^? -3.07 O1 SO4 A 229s A 228 SER A 118 SER^? 6.22 O1 SO4 A 229 A 549 ASP A 120 ASP^? 7.17 O2 SO4 A 229 coo 43.62 -9.31 54.06 43.04 -9.29 54.58 10.35 37.93 99.14 9.60 37.73 98.91 coo 45.99 -4.81 58.63 47.02 -6.84 57.75 12.94 43.53 101.47 11.74 45.37 102.38 coo 51.69 -5.84 58.91 49.67 -6.52 58.93 9.29 47.78 99.49 7.80 47.36 98.01 ULMN 3 1cjy_c00 CYTOSOLIC PHOSPHOLIPASE A2 user 3 3 # 3 A 198 GLY A 104 GLY^? 29.81 O4 SO4 A 229 A 228 SER A 106 SER^? 27.12 O4 SO4 A 229 A 549 ASP A 154 ASP^? 25.59 O1 SO4 A 229 coo 43.62 -9.31 54.06 43.04 -9.29 54.58 16.55 64.58 117.04 16.86 63.88 116.91 coo 45.99 -4.81 58.63 47.02 -6.84 57.75 17.60 62.70 111.68 15.95 64.47 111.44 coo 51.69 -5.84 58.91 49.67 -6.52 58.93 22.41 56.72 112.09 24.50 56.74 112.55 ULMN 3 1cjy_c00 CYTOSOLIC PHOSPHOLIPASE A2 user 4 3 # 4 A 198 GLY A 130 GLY^? 23.19 O1 SO4 A 229 A 228 SER A 132 SER^? 26.46 O1 SO4 A 229 A 549 ASP A 133 ASP^? 29.47 O1 SO4 A 229 coo 43.62 -9.31 54.06 43.04 -9.29 54.58 19.82 60.13 97.31 20.30 59.68 97.73 coo 45.99 -4.81 58.63 47.02 -6.84 57.75 24.34 61.20 100.14 23.88 61.78 102.50 coo 51.69 -5.84 58.91 49.67 -6.52 58.93 28.68 60.10 102.11 30.08 60.54 100.57 ULMN 3 1cjy_c00 CYTOSOLIC PHOSPHOLIPASE A2 user 5 3 # 5 A 198 GLY B 104 GLY^? 32.77 O3 SO4 B 229 A 228 SER B 106 SER^? 29.18 O3 SO4 B 229 A 549 ASP B 154 ASP^? 28.34 O3 SO4 B 229 coo 43.62 -9.31 54.06 43.04 -9.29 54.58 -14.69 2.06 129.94 -14.89 2.75 129.58 coo 45.99 -4.81 58.63 47.02 -6.84 57.75 -14.89 3.19 124.25 -13.21 1.70 125.19 coo 51.69 -5.84 58.91 49.67 -6.52 58.93 -19.38 9.09 123.27 -21.52 8.99 123.42 1cjy_c00 source 1cjy CYTOSOLIC PHOSPHOLIPASE A2 : 5 hits 1cjy_c00 naa= 3 ULMN 3 1cjy_c01 CYTOSOLIC PHOSPHOLIPASE A2 user 1 3 # 1 B1198 GLY A 50 GLY^? -3.07 O1 SO4 A 229s B1228 SER A 118 SER^? 6.22 O1 SO4 A 229 B1549 ASP A 115 ASP^? 8.58 O1 SO4 A 229 coo 126.34 72.75 125.66 125.95 73.27 126.11 10.35 37.93 99.14 9.60 37.73 98.91 coo 131.65 74.68 129.41 130.31 72.73 128.82 12.94 43.53 101.47 11.74 45.37 102.38 coo 134.72 69.43 130.42 133.03 70.65 130.08 15.77 43.56 105.82 15.72 41.47 106.14 ULMN 3 1cjy_c01 CYTOSOLIC PHOSPHOLIPASE A2 user 2 3 # 2 B1198 GLY A 50 GLY^? -3.07 O1 SO4 A 229s B1228 SER A 118 SER^? 6.22 O1 SO4 A 229 B1549 ASP A 120 ASP^? 7.17 O2 SO4 A 229 coo 126.34 72.75 125.66 125.95 73.27 126.11 10.35 37.93 99.14 9.60 37.73 98.91 coo 131.65 74.68 129.41 130.31 72.73 128.82 12.94 43.53 101.47 11.74 45.37 102.38 coo 134.72 69.43 130.42 133.03 70.65 130.08 9.29 47.78 99.49 7.80 47.36 98.01 ULMN 3 1cjy_c01 CYTOSOLIC PHOSPHOLIPASE A2 user 3 3 # 3 B1198 GLY A 104 GLY^? 29.81 O4 SO4 A 229 B1228 SER A 106 SER^? 27.12 O4 SO4 A 229 B1549 ASP A 154 ASP^? 25.59 O1 SO4 A 229 coo 126.34 72.75 125.66 125.95 73.27 126.11 16.55 64.58 117.04 16.86 63.88 116.91 coo 131.65 74.68 129.41 130.31 72.73 128.82 17.60 62.70 111.68 15.95 64.47 111.44 coo 134.72 69.43 130.42 133.03 70.65 130.08 22.41 56.72 112.09 24.50 56.74 112.55 ULMN 3 1cjy_c01 CYTOSOLIC PHOSPHOLIPASE A2 user 4 3 # 4 B1198 GLY A 130 GLY^? 23.19 O1 SO4 A 229 B1228 SER A 132 SER^? 26.46 O1 SO4 A 229 B1549 ASP A 133 ASP^? 29.47 O1 SO4 A 229 coo 126.34 72.75 125.66 125.95 73.27 126.11 19.82 60.13 97.31 20.30 59.68 97.73 coo 131.65 74.68 129.41 130.31 72.73 128.82 24.34 61.20 100.14 23.88 61.78 102.50 coo 134.72 69.43 130.42 133.03 70.65 130.08 28.68 60.10 102.11 30.08 60.54 100.57 ULMN 3 1cjy_c01 CYTOSOLIC PHOSPHOLIPASE A2 user 5 3 # 5 B1198 GLY B 104 GLY^? 32.77 O3 SO4 B 229 B1228 SER B 106 SER^? 29.18 O3 SO4 B 229 B1549 ASP B 154 ASP^? 28.34 O3 SO4 B 229 coo 126.34 72.75 125.66 125.95 73.27 126.11 -14.69 2.06 129.94 -14.89 2.75 129.58 coo 131.65 74.68 129.41 130.31 72.73 128.82 -14.89 3.19 124.25 -13.21 1.70 125.19 coo 134.72 69.43 130.42 133.03 70.65 130.08 -19.38 9.09 123.27 -21.52 8.99 123.42 1cjy_c01 source 1cjy CYTOSOLIC PHOSPHOLIPASE A2 : 5 hits 1cjy_c01 naa= 3 ULMN 3 1cms_c04 CHYMOSIN B (FORMERLY KNOWN AS RENNINuser 1 3 # 1 34 ASP A 2 ASP~? 14.67 O2 SO4 A 230 37 SER A -2 SER~? 12.73 O2 SO4 A 230 216 ASP A 39 ASP^? 5.87 O2 SO4 A 230 coo 16.90 26.20 29.49 16.22 24.50 28.41 -20.15 34.72 83.71 -22.03 35.03 82.80 coo 12.23 24.31 30.40 14.55 23.96 31.03 -23.89 33.29 87.49 -25.22 35.21 86.74 coo 13.93 25.52 22.10 14.75 24.44 23.75 -16.67 33.15 92.05 -17.20 32.80 93.99 ULMN 3 1cms_c04 CHYMOSIN B (FORMERLY KNOWN AS RENNINuser 2 3 # 2 34 ASP A 115 ASP^? 8.58 O1 SO4 A 229 37 SER A 140 SER^? 13.33 O1 SO4 A 229 216 ASP A 138 ASP^? 13.32 O1 SO4 A 229 coo 16.90 26.20 29.49 16.22 24.50 28.41 15.77 43.56 105.82 15.72 41.47 106.14 coo 12.23 24.31 30.40 14.55 23.96 31.03 16.67 42.99 109.88 16.46 41.74 111.93 coo 13.93 25.52 22.10 14.75 24.44 23.75 23.15 43.17 105.53 21.70 41.96 104.55 ULMN 3 1cms_c04 CHYMOSIN B (FORMERLY KNOWN AS RENNINuser 3 3 # 3 34 ASP B 115 ASP^? 13.85 O3 SO4 B 229 37 SER B 140 SER^? 18.74 O3 SO4 B 229 216 ASP B 138 ASP^? 17.24 O3 SO4 B 229 coo 16.90 26.20 29.49 16.22 24.50 28.41 -12.10 21.41 116.25 -11.91 23.51 116.16 coo 12.23 24.31 30.40 14.55 23.96 31.03 -13.55 22.77 120.12 -12.47 24.15 121.85 coo 13.93 25.52 22.10 14.75 24.44 23.75 -19.34 21.74 114.74 -17.84 23.07 113.94 1cms_c04 source 1cms CHYMOSIN B (FORMERLY KNOWN AS RENNIN) (E.C.3.4: 3 hits 1cms_c04 naa= 3 ULMN 3 1cns_c00 CHITINASE user 1 3 # 1 A 67 GLU A 225 GLU^? 13.76 O3 SO4 A 230 A 89 GLU A 28 GLU^? 15.00 O4 SO4 A 229 A 120 SER A 32 SER^? 6.95 O3 SO4 A 230 coo -24.35 9.53 67.64 -25.07 11.29 68.60 -14.25 35.84 110.00 -12.75 37.08 110.88 coo -31.18 6.91 75.60 -32.39 8.51 74.91 -5.36 37.58 106.38 -6.12 37.04 108.31 coo -34.73 8.57 68.21 -33.63 9.08 70.28 -9.65 37.25 100.15 -11.63 37.02 101.57 ULMN 3 1cns_c00 CHITINASE user 2 3 # 2 A 67 GLU B 28 GLU^? 14.88 O3 SO4 B 229 A 89 GLU B 225 GLU^? 19.49 O1 SO4 A 229 A 120 SER B 227 SER^? 13.75 O1 SO4 A 229 coo -24.35 9.53 67.64 -25.07 11.29 68.60 7.08 27.54 112.66 7.38 29.31 113.76 coo -31.18 6.91 75.60 -32.39 8.51 74.91 14.37 32.38 117.86 15.62 34.05 118.38 coo -34.73 8.57 68.21 -33.63 9.08 70.28 14.71 30.25 109.72 16.59 31.22 108.47 ULMN 3 1cns_c00 CHITINASE user 3 3 # 3 A 67 GLU B 87 GLU^? 17.71 O1 SO4 B 229 A 89 GLU B 74 GLU^? 16.10 O1 SO4 B 229 A 120 SER B 69 SER^? 7.59 O1 SO4 B 229 coo -24.35 9.53 67.64 -25.07 11.29 68.60 10.05 8.18 103.44 9.48 6.19 103.45 coo -31.18 6.91 75.60 -32.39 8.51 74.91 0.29 5.91 102.04 1.64 4.74 100.89 coo -34.73 8.57 68.21 -33.63 9.08 70.28 2.50 13.30 105.34 0.09 12.83 105.70 ULMN 3 1cns_c00 CHITINASE user 4 3 # 4 A 67 GLU B 225 GLU^? 19.49 O1 SO4 A 229 A 89 GLU B 28 GLU^? 14.88 O3 SO4 B 229 A 120 SER B 32 SER^? 18.05 O1 SO4 B 229 coo -24.35 9.53 67.64 -25.07 11.29 68.60 14.37 32.38 117.86 15.62 34.05 118.38 coo -31.18 6.91 75.60 -32.39 8.51 74.91 7.08 27.54 112.66 7.38 29.31 113.76 coo -34.73 8.57 68.21 -33.63 9.08 70.28 14.02 25.45 109.10 14.28 25.64 111.53 ULMN 3 1cns_c00 CHITINASE user 5 3 # 5 A 67 GLU B 225 GLU^? 19.49 O1 SO4 A 229 A 89 GLU B 28 GLU^? 14.88 O3 SO4 B 229 A 120 SER B 227 SER^? 13.75 O1 SO4 A 229 coo -24.35 9.53 67.64 -25.07 11.29 68.60 14.37 32.38 117.86 15.62 34.05 118.38 coo -31.18 6.91 75.60 -32.39 8.51 74.91 7.08 27.54 112.66 7.38 29.31 113.76 coo -34.73 8.57 68.21 -33.63 9.08 70.28 14.71 30.25 109.72 16.59 31.22 108.47 ULMN 3 1cns_c00 CHITINASE user 6 3 # 6 A 67 GLU B 225 GLU^? 19.49 O1 SO4 A 229 A 89 GLU B 223 GLU^? 27.95 O3 SO4 B 229 A 120 SER B 221 SER^? 23.67 O3 SO4 B 229 coo -24.35 9.53 67.64 -25.07 11.29 68.60 14.37 32.38 117.86 15.62 34.05 118.38 coo -31.18 6.91 75.60 -32.39 8.51 74.91 18.86 25.12 122.56 20.16 23.43 122.41 coo -34.73 8.57 68.21 -33.63 9.08 70.28 12.18 22.64 122.40 14.60 22.77 122.49 1cns_c00 source 1cns CHITINASE : 6 hits 1cns_c00 naa= 3 ULMN 3 1cns_c01 CHITINASE user 1 3 # 1 B 67 GLU A 28 GLU^? 15.00 O4 SO4 A 229 B 89 GLU A 225 GLU^? 13.76 O3 SO4 A 230 B 120 SER A 221 SER^? 12.14 O3 SO4 A 230 coo 9.89 -17.65 45.79 9.28 -17.39 43.77 -5.36 37.58 106.38 -6.12 37.04 108.31 coo 19.53 -19.89 39.46 19.21 -18.09 38.37 -14.25 35.84 110.00 -12.75 37.08 110.88 coo 18.32 -11.51 42.26 16.65 -12.32 40.69 -12.98 46.27 109.45 -14.99 46.40 108.06 ULMN 3 1cns_c01 CHITINASE user 2 3 # 2 B 67 GLU A 225 GLU^? 13.76 O3 SO4 A 230 B 89 GLU A 28 GLU^? 15.00 O4 SO4 A 229 B 120 SER A 32 SER^? 6.95 O3 SO4 A 230 coo 9.89 -17.65 45.79 9.28 -17.39 43.77 -14.25 35.84 110.00 -12.75 37.08 110.88 coo 19.53 -19.89 39.46 19.21 -18.09 38.37 -5.36 37.58 106.38 -6.12 37.04 108.31 coo 18.32 -11.51 42.26 16.65 -12.32 40.69 -9.65 37.25 100.15 -11.63 37.02 101.57 ULMN 3 1cns_c01 CHITINASE user 3 3 # 3 B 67 GLU B 87 GLU^? 17.71 O1 SO4 B 229 B 89 GLU B 74 GLU^? 16.10 O1 SO4 B 229 B 120 SER B 69 SER^? 7.59 O1 SO4 B 229 coo 9.89 -17.65 45.79 9.28 -17.39 43.77 10.05 8.18 103.44 9.48 6.19 103.45 coo 19.53 -19.89 39.46 19.21 -18.09 38.37 0.29 5.91 102.04 1.64 4.74 100.89 coo 18.32 -11.51 42.26 16.65 -12.32 40.69 2.50 13.30 105.34 0.09 12.83 105.70 ULMN 3 1cns_c01 CHITINASE user 4 3 # 4 B 67 GLU B 225 GLU^? 19.49 O1 SO4 A 229 B 89 GLU B 28 GLU^? 14.88 O3 SO4 B 229 B 120 SER B 32 SER^? 18.05 O1 SO4 B 229 coo 9.89 -17.65 45.79 9.28 -17.39 43.77 14.37 32.38 117.86 15.62 34.05 118.38 coo 19.53 -19.89 39.46 19.21 -18.09 38.37 7.08 27.54 112.66 7.38 29.31 113.76 coo 18.32 -11.51 42.26 16.65 -12.32 40.69 14.02 25.45 109.10 14.28 25.64 111.53 ULMN 3 1cns_c01 CHITINASE user 5 3 # 5 B 67 GLU B 225 GLU^? 19.49 O1 SO4 A 229 B 89 GLU B 223 GLU^? 27.95 O3 SO4 B 229 B 120 SER B 221 SER^? 23.67 O3 SO4 B 229 coo 9.89 -17.65 45.79 9.28 -17.39 43.77 14.37 32.38 117.86 15.62 34.05 118.38 coo 19.53 -19.89 39.46 19.21 -18.09 38.37 18.86 25.12 122.56 20.16 23.43 122.41 coo 18.32 -11.51 42.26 16.65 -12.32 40.69 12.18 22.64 122.40 14.60 22.77 122.49 1cns_c01 source 1cns CHITINASE : 5 hits 1cns_c01 naa= 3 ULMN 3 1cs1_c00 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 # 1 A 101 TYR A 93 TYR^? 6.38 O2 SO4 A 229 A 173 ASP A 120 ASP^? 7.17 O2 SO4 A 229 C 48 ARG A 54 ARG^? -2.64 O2 SO4 A 229s coo 25.00 -3.03 25.68 27.14 -4.51 26.75 1.20 45.36 98.99 3.01 43.25 98.50 coo 24.35 4.55 25.11 25.94 3.23 25.53 9.29 47.78 99.49 7.80 47.36 98.01 coo 29.84 -5.31 33.83 28.87 -5.97 30.97 5.30 36.31 96.12 6.03 38.74 97.87 ULMN 3 1cs1_c00 CYSTATHIONINE GAMMA-SYNTHASE user 2 3 # 2 A 101 TYR A 197 TYR^? 14.15 O4 SO4 A 231 A 173 ASP A 195 ASP^? 8.92 O2 SO4 A 231 C 48 ARG A 204 ARG^? 16.71 O4 SO4 A 231 coo 25.00 -3.03 25.68 27.14 -4.51 26.75 -1.41 38.26 74.93 0.62 39.74 73.63 coo 24.35 4.55 25.11 25.94 3.23 25.53 4.21 36.83 75.89 5.47 37.96 74.68 coo 29.84 -5.31 33.83 28.87 -5.97 30.97 -6.84 43.91 80.86 -3.85 44.77 81.39 ULMN 3 1cs1_c00 CYSTATHIONINE GAMMA-SYNTHASE user 3 3 # 3 A 101 TYR B 27 TYR^? 6.20 O3 SO4 B 229 A 173 ASP B 120 ASP^? 8.68 O3 SO4 B 229 C 48 ARG B 25 ARG^? 18.98 O3 SO4 B 229 coo 25.00 -3.03 25.68 27.14 -4.51 26.75 3.82 22.31 109.84 1.63 20.66 109.20 coo 24.35 4.55 25.11 25.94 3.23 25.53 -4.32 17.92 112.37 -3.28 16.49 113.53 coo 29.84 -5.31 33.83 28.87 -5.97 30.97 7.91 26.52 118.07 7.56 27.20 121.14 ULMN 3 1cs1_c00 CYSTATHIONINE GAMMA-SYNTHASE user 4 3 # 4 A 101 TYR B 27 TYR^? 6.20 O3 SO4 B 229 A 173 ASP B 120 ASP^? 8.68 O3 SO4 B 229 C 48 ARG B 54 ARG^? -2.73 O1 SO4 B 229s coo 25.00 -3.03 25.68 27.14 -4.51 26.75 3.82 22.31 109.84 1.63 20.66 109.20 coo 24.35 4.55 25.11 25.94 3.23 25.53 -4.32 17.92 112.37 -3.28 16.49 113.53 coo 29.84 -5.31 33.83 28.87 -5.97 30.97 2.04 21.87 100.04 0.47 20.79 102.47 ULMN 3 1cs1_c00 CYSTATHIONINE GAMMA-SYNTHASE user 5 3 # 5 A 101 TYR B 76 TYR^? 10.65 O1 SO4 B 229 A 173 ASP B 52 ASP^? 8.63 O2 SO4 B 229 C 48 ARG B 70 ARG^? 17.55 O1 SO4 B 229 coo 25.00 -3.03 25.68 27.14 -4.51 26.75 -1.19 11.89 95.80 -2.29 13.70 97.62 coo 24.35 4.55 25.11 25.94 3.23 25.53 -5.20 17.74 96.96 -6.16 15.91 97.49 coo 29.84 -5.31 33.83 28.87 -5.97 30.97 4.92 7.16 103.42 6.42 4.45 103.73 ULMN 3 1cs1_c00 CYSTATHIONINE GAMMA-SYNTHASE user 6 3 # 6 A 101 TYR B 93 TYR^? -6.26 O1 SO4 B 229s A 173 ASP B 120 ASP^? 8.68 O3 SO4 B 229 C 48 ARG B 54 ARG^? -2.73 O1 SO4 B 229s coo 25.00 -3.03 25.68 27.14 -4.51 26.75 3.42 16.10 108.71 2.04 17.62 106.85 coo 24.35 4.55 25.11 25.94 3.23 25.53 -4.32 17.92 112.37 -3.28 16.49 113.53 coo 29.84 -5.31 33.83 28.87 -5.97 30.97 2.04 21.87 100.04 0.47 20.79 102.47 ULMN 3 1cs1_c00 CYSTATHIONINE GAMMA-SYNTHASE user 7 3 # 7 A 101 TYR B 197 TYR^? 27.50 O1 SO4 B 229 A 173 ASP B 196 ASP^? 21.51 O1 SO4 B 229 C 48 ARG B 204 ARG^? 28.80 O1 SO4 B 229 coo 25.00 -3.03 25.68 27.14 -4.51 26.75 17.53 10.39 88.21 19.44 8.55 89.12 coo 24.35 4.55 25.11 25.94 3.23 25.53 12.23 15.64 88.97 13.40 17.43 88.99 coo 29.84 -5.31 33.83 28.87 -5.97 30.97 22.06 9.76 97.61 23.97 10.05 95.18 1cs1_c00 source 1cs1 CYSTATHIONINE GAMMA-SYNTHASE : 7 hits 1cs1_c00 naa= 3 ULMN 3 1cs1_c01 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 # 1 A 48 ARG A 54 ARG^? -2.64 O2 SO4 A 229s C 101 TYR A 93 TYR^? 6.38 O2 SO4 A 229 C 173 ASP A 120 ASP^? 7.17 O2 SO4 A 229 coo 32.27 5.62 48.15 31.93 6.48 51.06 5.30 36.31 96.12 6.03 38.74 97.87 coo 29.64 3.64 57.39 31.22 5.14 55.65 1.20 45.36 98.99 3.01 43.25 98.50 coo 28.89 -3.78 58.23 30.38 -2.57 57.33 9.29 47.78 99.49 7.80 47.36 98.01 ULMN 3 1cs1_c01 CYSTATHIONINE GAMMA-SYNTHASE user 2 3 # 2 A 48 ARG A 204 ARG^? 16.71 O4 SO4 A 231 C 101 TYR A 197 TYR^? 14.15 O4 SO4 A 231 C 173 ASP A 195 ASP^? 8.92 O2 SO4 A 231 coo 32.27 5.62 48.15 31.93 6.48 51.06 -6.84 43.91 80.86 -3.85 44.77 81.39 coo 29.64 3.64 57.39 31.22 5.14 55.65 -1.41 38.26 74.93 0.62 39.74 73.63 coo 28.89 -3.78 58.23 30.38 -2.57 57.33 4.21 36.83 75.89 5.47 37.96 74.68 ULMN 3 1cs1_c01 CYSTATHIONINE GAMMA-SYNTHASE user 3 3 # 3 A 48 ARG B 54 ARG^? -2.73 O1 SO4 B 229s C 101 TYR B 93 TYR^? -6.26 O1 SO4 B 229s C 173 ASP B 120 ASP^? 8.68 O3 SO4 B 229 coo 32.27 5.62 48.15 31.93 6.48 51.06 2.04 21.87 100.04 0.47 20.79 102.47 coo 29.64 3.64 57.39 31.22 5.14 55.65 3.42 16.10 108.71 2.04 17.62 106.85 coo 28.89 -3.78 58.23 30.38 -2.57 57.33 -4.32 17.92 112.37 -3.28 16.49 113.53 ULMN 3 1cs1_c01 CYSTATHIONINE GAMMA-SYNTHASE user 4 3 # 4 A 48 ARG B 70 ARG^? 17.55 O1 SO4 B 229 C 101 TYR B 76 TYR^? 10.65 O1 SO4 B 229 C 173 ASP B 52 ASP^? 8.63 O2 SO4 B 229 coo 32.27 5.62 48.15 31.93 6.48 51.06 4.92 7.16 103.42 6.42 4.45 103.73 coo 29.64 3.64 57.39 31.22 5.14 55.65 -1.19 11.89 95.80 -2.29 13.70 97.62 coo 28.89 -3.78 58.23 30.38 -2.57 57.33 -5.20 17.74 96.96 -6.16 15.91 97.49 ULMN 3 1cs1_c01 CYSTATHIONINE GAMMA-SYNTHASE user 5 3 # 5 A 48 ARG B 204 ARG^? 28.80 O1 SO4 B 229 C 101 TYR B 197 TYR^? 27.50 O1 SO4 B 229 C 173 ASP B 196 ASP^? 21.51 O1 SO4 B 229 coo 32.27 5.62 48.15 31.93 6.48 51.06 22.06 9.76 97.61 23.97 10.05 95.18 coo 29.64 3.64 57.39 31.22 5.14 55.65 17.53 10.39 88.21 19.44 8.55 89.12 coo 28.89 -3.78 58.23 30.38 -2.57 57.33 12.23 15.64 88.97 13.40 17.43 88.99 1cs1_c01 source 1cs1 CYSTATHIONINE GAMMA-SYNTHASE : 5 hits 1cs1_c01 naa= 3 ULMN 3 1cs1_c02 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 # 1 B 48 ARG A 54 ARG^? -2.64 O2 SO4 A 229s D 101 TYR A 93 TYR^? 6.38 O2 SO4 A 229 D 173 ASP A 120 ASP^? 7.17 O2 SO4 A 229 coo 69.08 8.58 32.60 69.70 10.81 30.58 5.30 36.31 96.12 6.03 38.74 97.87 coo 71.77 11.86 24.26 70.23 12.22 26.56 1.20 45.36 98.99 3.01 43.25 98.50 coo 71.60 6.14 19.25 70.26 6.87 20.69 9.29 47.78 99.49 7.80 47.36 98.01 ULMN 3 1cs1_c02 CYSTATHIONINE GAMMA-SYNTHASE user 2 3 # 2 B 48 ARG A 70 ARG^? 17.64 O2 SO4 A 229 D 101 TYR A 93 TYR^? 6.38 O2 SO4 A 229 D 173 ASP A 120 ASP^? 7.17 O2 SO4 A 229 coo 69.08 8.58 32.60 69.70 10.81 30.58 2.37 50.83 90.43 1.13 53.29 89.13 coo 71.77 11.86 24.26 70.23 12.22 26.56 1.20 45.36 98.99 3.01 43.25 98.50 coo 71.60 6.14 19.25 70.26 6.87 20.69 9.29 47.78 99.49 7.80 47.36 98.01 ULMN 3 1cs1_c02 CYSTATHIONINE GAMMA-SYNTHASE user 3 3 # 3 B 48 ARG A 204 ARG^? 16.71 O4 SO4 A 231 D 101 TYR A 197 TYR^? 14.15 O4 SO4 A 231 D 173 ASP A 195 ASP^? 8.92 O2 SO4 A 231 coo 69.08 8.58 32.60 69.70 10.81 30.58 -6.84 43.91 80.86 -3.85 44.77 81.39 coo 71.77 11.86 24.26 70.23 12.22 26.56 -1.41 38.26 74.93 0.62 39.74 73.63 coo 71.60 6.14 19.25 70.26 6.87 20.69 4.21 36.83 75.89 5.47 37.96 74.68 ULMN 3 1cs1_c02 CYSTATHIONINE GAMMA-SYNTHASE user 4 3 # 4 B 48 ARG B 54 ARG^? -2.73 O1 SO4 B 229s D 101 TYR B 27 TYR^? 6.20 O3 SO4 B 229 D 173 ASP B 120 ASP^? 8.68 O3 SO4 B 229 coo 69.08 8.58 32.60 69.70 10.81 30.58 2.04 21.87 100.04 0.47 20.79 102.47 coo 71.77 11.86 24.26 70.23 12.22 26.56 3.82 22.31 109.84 1.63 20.66 109.20 coo 71.60 6.14 19.25 70.26 6.87 20.69 -4.32 17.92 112.37 -3.28 16.49 113.53 ULMN 3 1cs1_c02 CYSTATHIONINE GAMMA-SYNTHASE user 5 3 # 5 B 48 ARG B 54 ARG^? -2.73 O1 SO4 B 229s D 101 TYR B 63 TYR^? 12.59 O4 SO4 B 229 D 173 ASP B 64 ASP^? 18.27 O3 SO4 A 231 coo 69.08 8.58 32.60 69.70 10.81 30.58 2.04 21.87 100.04 0.47 20.79 102.47 coo 71.77 11.86 24.26 70.23 12.22 26.56 6.08 23.92 93.84 4.01 25.72 94.40 coo 71.60 6.14 19.25 70.26 6.87 20.69 12.23 21.46 92.76 12.58 23.03 91.40 ULMN 3 1cs1_c02 CYSTATHIONINE GAMMA-SYNTHASE user 6 3 # 6 B 48 ARG B 54 ARG^? -2.73 O1 SO4 B 229s D 101 TYR B 93 TYR^? -6.26 O1 SO4 B 229s D 173 ASP B 120 ASP^? 8.68 O3 SO4 B 229 coo 69.08 8.58 32.60 69.70 10.81 30.58 2.04 21.87 100.04 0.47 20.79 102.47 coo 71.77 11.86 24.26 70.23 12.22 26.56 3.42 16.10 108.71 2.04 17.62 106.85 coo 71.60 6.14 19.25 70.26 6.87 20.69 -4.32 17.92 112.37 -3.28 16.49 113.53 ULMN 3 1cs1_c02 CYSTATHIONINE GAMMA-SYNTHASE user 7 3 # 7 B 48 ARG B 204 ARG^? 28.80 O1 SO4 B 229 D 101 TYR B 197 TYR^? 27.50 O1 SO4 B 229 D 173 ASP B 196 ASP^? 21.51 O1 SO4 B 229 coo 69.08 8.58 32.60 69.70 10.81 30.58 22.06 9.76 97.61 23.97 10.05 95.18 coo 71.77 11.86 24.26 70.23 12.22 26.56 17.53 10.39 88.21 19.44 8.55 89.12 coo 71.60 6.14 19.25 70.26 6.87 20.69 12.23 15.64 88.97 13.40 17.43 88.99 1cs1_c02 source 1cs1 CYSTATHIONINE GAMMA-SYNTHASE : 7 hits 1cs1_c02 naa= 3 ULMN 3 1cs1_c03 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 # 1 B 101 TYR A 93 TYR^? 6.38 O2 SO4 A 229 B 173 ASP A 120 ASP^? 7.17 O2 SO4 A 229 D 48 ARG A 54 ARG^? -2.64 O2 SO4 A 229s coo 74.59 -12.57 45.75 72.37 -12.96 44.12 1.20 45.36 98.99 3.01 43.25 98.50 coo 76.00 -6.96 50.63 74.29 -7.61 49.57 9.29 47.78 99.49 7.80 47.36 98.01 coo 69.39 -8.90 38.17 70.70 -11.19 39.77 5.30 36.31 96.12 6.03 38.74 97.87 ULMN 3 1cs1_c03 CYSTATHIONINE GAMMA-SYNTHASE user 2 3 # 2 B 101 TYR A 197 TYR^? 14.15 O4 SO4 A 231 B 173 ASP A 195 ASP^? 8.92 O2 SO4 A 231 D 48 ARG A 204 ARG^? 16.71 O4 SO4 A 231 coo 74.59 -12.57 45.75 72.37 -12.96 44.12 -1.41 38.26 74.93 0.62 39.74 73.63 coo 76.00 -6.96 50.63 74.29 -7.61 49.57 4.21 36.83 75.89 5.47 37.96 74.68 coo 69.39 -8.90 38.17 70.70 -11.19 39.77 -6.84 43.91 80.86 -3.85 44.77 81.39 ULMN 3 1cs1_c03 CYSTATHIONINE GAMMA-SYNTHASE user 3 3 # 3 B 101 TYR B 27 TYR^? 6.20 O3 SO4 B 229 B 173 ASP B 120 ASP^? 8.68 O3 SO4 B 229 D 48 ARG B 25 ARG^? 18.98 O3 SO4 B 229 coo 74.59 -12.57 45.75 72.37 -12.96 44.12 3.82 22.31 109.84 1.63 20.66 109.20 coo 76.00 -6.96 50.63 74.29 -7.61 49.57 -4.32 17.92 112.37 -3.28 16.49 113.53 coo 69.39 -8.90 38.17 70.70 -11.19 39.77 7.91 26.52 118.07 7.56 27.20 121.14 ULMN 3 1cs1_c03 CYSTATHIONINE GAMMA-SYNTHASE user 4 3 # 4 B 101 TYR B 27 TYR^? 6.20 O3 SO4 B 229 B 173 ASP B 120 ASP^? 8.68 O3 SO4 B 229 D 48 ARG B 54 ARG^? -2.73 O1 SO4 B 229s coo 74.59 -12.57 45.75 72.37 -12.96 44.12 3.82 22.31 109.84 1.63 20.66 109.20 coo 76.00 -6.96 50.63 74.29 -7.61 49.57 -4.32 17.92 112.37 -3.28 16.49 113.53 coo 69.39 -8.90 38.17 70.70 -11.19 39.77 2.04 21.87 100.04 0.47 20.79 102.47 ULMN 3 1cs1_c03 CYSTATHIONINE GAMMA-SYNTHASE user 5 3 # 5 B 101 TYR B 76 TYR^? 10.65 O1 SO4 B 229 B 173 ASP B 52 ASP^? 8.63 O2 SO4 B 229 D 48 ARG B 70 ARG^? 17.55 O1 SO4 B 229 coo 74.59 -12.57 45.75 72.37 -12.96 44.12 -1.19 11.89 95.80 -2.29 13.70 97.62 coo 76.00 -6.96 50.63 74.29 -7.61 49.57 -5.20 17.74 96.96 -6.16 15.91 97.49 coo 69.39 -8.90 38.17 70.70 -11.19 39.77 4.92 7.16 103.42 6.42 4.45 103.73 ULMN 3 1cs1_c03 CYSTATHIONINE GAMMA-SYNTHASE user 6 3 # 6 B 101 TYR B 93 TYR^? -6.26 O1 SO4 B 229s B 173 ASP B 120 ASP^? 8.68 O3 SO4 B 229 D 48 ARG B 54 ARG^? -2.73 O1 SO4 B 229s coo 74.59 -12.57 45.75 72.37 -12.96 44.12 3.42 16.10 108.71 2.04 17.62 106.85 coo 76.00 -6.96 50.63 74.29 -7.61 49.57 -4.32 17.92 112.37 -3.28 16.49 113.53 coo 69.39 -8.90 38.17 70.70 -11.19 39.77 2.04 21.87 100.04 0.47 20.79 102.47 ULMN 3 1cs1_c03 CYSTATHIONINE GAMMA-SYNTHASE user 7 3 # 7 B 101 TYR B 197 TYR^? 27.50 O1 SO4 B 229 B 173 ASP B 196 ASP^? 21.51 O1 SO4 B 229 D 48 ARG B 204 ARG^? 28.80 O1 SO4 B 229 coo 74.59 -12.57 45.75 72.37 -12.96 44.12 17.53 10.39 88.21 19.44 8.55 89.12 coo 76.00 -6.96 50.63 74.29 -7.61 49.57 12.23 15.64 88.97 13.40 17.43 88.99 coo 69.39 -8.90 38.17 70.70 -11.19 39.77 22.06 9.76 97.61 23.97 10.05 95.18 1cs1_c03 source 1cs1 CYSTATHIONINE GAMMA-SYNTHASE : 7 hits 1cs1_c03 naa= 3 ULMN 3 1ct9_c04 ASPARAGINE SYNTHETASE B user 1 3 # 1 A 1 ALA A 5 ALA~? 17.77 O2 SO4 A 230 A 74 ASN A 3 ASN~? 10.01 O2 SO4 A 230 A 75 GLY A 40 GLY^? 11.26 O2 SO4 A 230 coo -1.80 62.71 122.76 -1.88 63.70 123.92 -17.17 29.58 80.84 -18.44 30.34 80.45 coo 1.20 66.40 122.20 2.03 64.53 121.46 -15.66 33.12 86.39 -15.82 35.16 86.97 coo 4.68 65.84 125.52 4.11 65.60 126.05 -15.87 29.48 89.40 -15.10 29.70 89.61 1ct9_c04 source 1ct9 ASPARAGINE SYNTHETASE B : 1 hits 1ct9_c04 naa= 3 ULMN 3 1ctn_c00 CHITINASE A (E.C.3.2.1.14) (PH 5.5, user 1 3 # 1 313 ASP A 52 ASP^? 8.69 O1 SO4 A 229 315 GLU A 56 GLU^? 10.40 O3 SO4 A 231 390 TYR A 63 TYR^? 12.02 O3 SO4 A 229 coo 32.46 99.13 19.34 30.94 100.38 20.07 13.74 39.26 94.65 14.56 41.23 94.45 coo 32.04 94.22 18.23 30.57 94.75 16.88 14.22 34.54 89.57 15.78 33.95 90.89 coo 21.10 94.74 18.36 23.09 96.71 18.59 4.07 31.35 91.04 5.31 30.23 93.28 ULMN 3 1ctn_c00 CHITINASE A (E.C.3.2.1.14) (PH 5.5, user 2 3 # 2 313 ASP B 52 ASP^? 8.63 O2 SO4 B 229 315 GLU B 56 GLU^? 14.37 O2 SO4 B 229 390 TYR B 63 TYR^? 12.59 O4 SO4 B 229 coo 32.46 99.13 19.34 30.94 100.38 20.07 -5.20 17.74 96.96 -6.16 15.91 97.49 coo 32.04 94.22 18.23 30.57 94.75 16.88 -2.86 18.57 90.31 -4.55 19.76 89.87 coo 21.10 94.74 18.36 23.09 96.71 18.59 6.08 23.92 93.84 4.01 25.72 94.40 1ctn_c00 source 1ctn CHITINASE A (E.C.3.2.1.14) (PH 5.5, 4 DEGREES : 2 hits 1ctn_c00 naa= 3 ULMN 3 1d6o_c00 FK506-BINDING PROTEIN user 1 3 # 1 A 37 ASP B 64 ASP^? 18.27 O3 SO4 A 231 A 56 ILE A 53 ILE^? 8.88 O1 SO4 A 229 A 82 TYR B 44 TYR^? 11.15 O1 SO4 A 229 coo 57.53 -0.59 -5.76 57.73 0.50 -3.97 12.23 21.46 92.76 12.58 23.03 91.40 coo 60.23 -10.38 -0.25 59.76 -9.69 -1.44 12.19 34.36 95.37 12.30 33.63 95.18 coo 54.60 -10.25 -2.46 55.96 -7.94 -1.62 13.68 30.43 97.38 15.80 32.10 96.60 1d6o_c00 source 1d6o FK506-BINDING PROTEIN : 1 hits 1d6o_c00 naa= 3 ULMN 3 1d6o_c01 FK506-BINDING PROTEIN user 1 3 # 1 B 37 ASP B 64 ASP^? 18.27 O3 SO4 A 231 B 56 ILE A 53 ILE^? 8.88 O1 SO4 A 229 B 82 TYR B 44 TYR^? 11.15 O1 SO4 A 229 coo 60.36 -17.02 -33.28 60.59 -15.91 -31.49 12.23 21.46 92.76 12.58 23.03 91.40 coo 63.12 -26.85 -28.11 62.65 -26.16 -29.29 12.19 34.36 95.37 12.30 33.63 95.18 coo 57.53 -26.71 -30.24 58.93 -24.39 -29.50 13.68 30.43 97.38 15.80 32.10 96.60 1d6o_c01 source 1d6o FK506-BINDING PROTEIN : 1 hits 1d6o_c01 naa= 3 ULMN 3 1d7r_c02 2,2-DIALKYLGLYCINE DECARBOXYLASE (PYuser 1 3 # 1 A 173 TYR A 228 TYR^? 12.29 O4 SO4 B 229 A 243 ASP A 52 ASP^? 8.69 O1 SO4 A 229 A 272 LYS A 122 LYS^? 10.06 O1 SO4 A 229 coo 2.03 68.31 21.46 0.66 68.36 23.90 -6.50 33.95 102.32 -5.45 34.14 104.92 coo 16.93 55.67 9.65 17.16 54.23 11.19 13.74 39.26 94.65 14.56 41.23 94.45 coo 14.13 45.79 13.40 14.25 49.41 18.30 16.00 48.82 99.35 17.27 43.58 96.56 ULMN 3 1d7r_c02 2,2-DIALKYLGLYCINE DECARBOXYLASE (PYuser 2 3 # 2 A 173 TYR B 23 TYR^? 8.86 O4 SO4 B 229 A 243 ASP A 52 ASP^? 8.69 O1 SO4 A 229 A 272 LYS A 122 LYS^? 10.06 O1 SO4 A 229 coo 2.03 68.31 21.46 0.66 68.36 23.90 -0.27 28.40 110.26 -0.70 30.59 108.63 coo 16.93 55.67 9.65 17.16 54.23 11.19 13.74 39.26 94.65 14.56 41.23 94.45 coo 14.13 45.79 13.40 14.25 49.41 18.30 16.00 48.82 99.35 17.27 43.58 96.56 ULMN 3 1d7r_c02 2,2-DIALKYLGLYCINE DECARBOXYLASE (PYuser 3 3 # 3 A 173 TYR B 76 TYR^? 10.65 O1 SO4 B 229 A 243 ASP A 64 ASP^? 16.48 O4 SO4 A 231 A 272 LYS A 35 LYS^? 11.43 O2 SO4 A 230 coo 2.03 68.31 21.46 0.66 68.36 23.90 -1.19 11.89 95.80 -2.29 13.70 97.62 coo 16.93 55.67 9.65 17.16 54.23 11.19 -0.89 32.13 86.35 -1.06 30.06 86.04 coo 14.13 45.79 13.40 14.25 49.41 18.30 -9.76 35.16 95.20 -10.16 29.64 98.57 1d7r_c02 source 1d7r 2,2-DIALKYLGLYCINE DECARBOXYLASE (PYRUVATE) : 3 hits 1d7r_c02 naa= 3 ULMN 3 1daa_c00 D-AMINO ACID AMINOTRANSFERASE user 1 3 # 1 A 145 LYS A 209 LYS^? -15.38 O1 SO4 A 230s A 177 GLU A 87 GLU^? 17.80 O2 SO4 A 229 A 201 LEU A 86 LEU^? 13.39 O1 SO4 A 230 coo 46.63 -7.12 50.78 48.41 -11.39 47.79 -11.65 46.61 90.96 -7.59 51.79 90.86 coo 47.18 -4.46 40.10 47.54 -4.70 42.20 -1.36 49.08 88.76 -0.85 50.53 87.31 coo 49.45 -5.57 45.73 49.73 -6.78 47.47 -4.54 43.77 88.65 -6.63 43.88 89.47 ULMN 3 1daa_c00 D-AMINO ACID AMINOTRANSFERASE user 2 3 # 2 A 145 LYS A 209 LYS^? -15.38 O1 SO4 A 230s A 177 GLU A 87 GLU^? 17.80 O2 SO4 A 229 A 201 LEU A 88 LEU^? 12.60 O1 SO4 A 230 coo 46.63 -7.12 50.78 48.41 -11.39 47.79 -11.65 46.61 90.96 -7.59 51.79 90.86 coo 47.18 -4.46 40.10 47.54 -4.70 42.20 -1.36 49.08 88.76 -0.85 50.53 87.31 coo 49.45 -5.57 45.73 49.73 -6.78 47.47 -5.21 47.35 94.25 -6.28 45.51 93.76 ULMN 3 1daa_c00 D-AMINO ACID AMINOTRANSFERASE user 3 3 # 3 A 145 LYS A 209 LYS^? -15.38 O1 SO4 A 230s A 177 GLU A 187 GLU^? 15.53 O2 SO4 A 229 A 201 LEU A 88 LEU^? 12.60 O1 SO4 A 230 coo 46.63 -7.12 50.78 48.41 -11.39 47.79 -11.65 46.61 90.96 -7.59 51.79 90.86 coo 47.18 -4.46 40.10 47.54 -4.70 42.20 -0.92 50.23 94.11 -1.07 51.49 92.41 coo 49.45 -5.57 45.73 49.73 -6.78 47.47 -5.21 47.35 94.25 -6.28 45.51 93.76 ULMN 3 1daa_c00 D-AMINO ACID AMINOTRANSFERASE user 4 3 # 4 A 145 LYS B 209 LYS^? 20.92 O1 SO4 B 229 A 177 GLU B 87 GLU^? 17.71 O1 SO4 B 229 A 201 LEU B 86 LEU^? 17.04 O1 SO4 B 229 coo 46.63 -7.12 50.78 48.41 -11.39 47.79 18.15 13.29 108.56 15.24 7.74 107.09 coo 47.18 -4.46 40.10 47.54 -4.70 42.20 10.05 8.18 103.44 9.48 6.19 103.45 coo 49.45 -5.57 45.73 49.73 -6.78 47.47 13.29 13.07 102.21 15.08 13.72 103.24 ULMN 3 1daa_c00 D-AMINO ACID AMINOTRANSFERASE user 5 3 # 5 A 145 LYS B 209 LYS^? 20.92 O1 SO4 B 229 A 177 GLU B 87 GLU^? 17.71 O1 SO4 B 229 A 201 LEU B 88 LEU^? 15.04 O1 SO4 B 229 coo 46.63 -7.12 50.78 48.41 -11.39 47.79 18.15 13.29 108.56 15.24 7.74 107.09 coo 47.18 -4.46 40.10 47.54 -4.70 42.20 10.05 8.18 103.44 9.48 6.19 103.45 coo 49.45 -5.57 45.73 49.73 -6.78 47.47 11.55 13.24 108.09 12.45 14.66 106.65 1daa_c00 source 1daa D-AMINO ACID AMINOTRANSFERASE : 5 hits 1daa_c00 naa= 3 ULMN 3 1daa_c01 D-AMINO ACID AMINOTRANSFERASE user 1 3 # 1 B 145 LYS A 209 LYS^? -15.38 O1 SO4 A 230s B 177 GLU A 87 GLU^? 17.80 O2 SO4 A 229 B 201 LEU A 86 LEU^? 13.39 O1 SO4 A 230 coo 25.29 -4.12 49.41 22.68 -2.48 54.25 -11.65 46.61 90.96 -7.59 51.79 90.86 coo 27.00 6.35 51.01 26.30 4.53 50.18 -1.36 49.08 88.76 -0.85 50.53 87.31 coo 23.74 1.68 49.50 22.87 -0.24 49.97 -4.54 43.77 88.65 -6.63 43.88 89.47 ULMN 3 1daa_c01 D-AMINO ACID AMINOTRANSFERASE user 2 3 # 2 B 145 LYS A 209 LYS^? -15.38 O1 SO4 A 230s B 177 GLU A 87 GLU^? 17.80 O2 SO4 A 229 B 201 LEU A 88 LEU^? 12.60 O1 SO4 A 230 coo 25.29 -4.12 49.41 22.68 -2.48 54.25 -11.65 46.61 90.96 -7.59 51.79 90.86 coo 27.00 6.35 51.01 26.30 4.53 50.18 -1.36 49.08 88.76 -0.85 50.53 87.31 coo 23.74 1.68 49.50 22.87 -0.24 49.97 -5.21 47.35 94.25 -6.28 45.51 93.76 ULMN 3 1daa_c01 D-AMINO ACID AMINOTRANSFERASE user 3 3 # 3 B 145 LYS A 209 LYS^? -15.38 O1 SO4 A 230s B 177 GLU A 187 GLU^? 15.53 O2 SO4 A 229 B 201 LEU A 88 LEU^? 12.60 O1 SO4 A 230 coo 25.29 -4.12 49.41 22.68 -2.48 54.25 -11.65 46.61 90.96 -7.59 51.79 90.86 coo 27.00 6.35 51.01 26.30 4.53 50.18 -0.92 50.23 94.11 -1.07 51.49 92.41 coo 23.74 1.68 49.50 22.87 -0.24 49.97 -5.21 47.35 94.25 -6.28 45.51 93.76 ULMN 3 1daa_c01 D-AMINO ACID AMINOTRANSFERASE user 4 3 # 4 B 145 LYS B 209 LYS^? 20.92 O1 SO4 B 229 B 177 GLU B 87 GLU^? 17.71 O1 SO4 B 229 B 201 LEU B 86 LEU^? 17.04 O1 SO4 B 229 coo 25.29 -4.12 49.41 22.68 -2.48 54.25 18.15 13.29 108.56 15.24 7.74 107.09 coo 27.00 6.35 51.01 26.30 4.53 50.18 10.05 8.18 103.44 9.48 6.19 103.45 coo 23.74 1.68 49.50 22.87 -0.24 49.97 13.29 13.07 102.21 15.08 13.72 103.24 ULMN 3 1daa_c01 D-AMINO ACID AMINOTRANSFERASE user 5 3 # 5 B 145 LYS B 209 LYS^? 20.92 O1 SO4 B 229 B 177 GLU B 87 GLU^? 17.71 O1 SO4 B 229 B 201 LEU B 88 LEU^? 15.04 O1 SO4 B 229 coo 25.29 -4.12 49.41 22.68 -2.48 54.25 18.15 13.29 108.56 15.24 7.74 107.09 coo 27.00 6.35 51.01 26.30 4.53 50.18 10.05 8.18 103.44 9.48 6.19 103.45 coo 23.74 1.68 49.50 22.87 -0.24 49.97 11.55 13.24 108.09 12.45 14.66 106.65 1daa_c01 source 1daa D-AMINO ACID AMINOTRANSFERASE : 5 hits 1daa_c01 naa= 3 ULMN 3 1ddj_c12 PLASMINOGEN user 1 3 # 1 A 603 HIS A 97 HIS^? 10.66 O4 SO4 A 229 A 646 ASP A 120 ASP^? 7.17 O2 SO4 A 229 A 739 GLY A 113 GLY^? 16.24 O1 SO4 A 229 coo 17.92 60.45 -3.51 16.63 61.88 -2.68 7.24 52.04 104.47 6.71 50.18 103.67 coo 18.60 56.26 -8.31 18.53 57.26 -6.47 9.29 47.78 99.49 7.80 47.36 98.01 coo 11.37 50.89 2.29 11.05 51.63 2.25 19.92 49.38 108.48 19.63 49.93 107.90 ULMN 3 1ddj_c12 PLASMINOGEN user 2 3 # 2 A 603 HIS A 210 HIS^? 9.95 O1 SO4 A 230 A 646 ASP A 208 ASP^? 7.66 O1 SO4 A 230 A 739 GLY A 29 GLY^? 9.91 O3 SO4 A 230 coo 17.92 60.45 -3.51 16.63 61.88 -2.68 -16.02 49.92 93.97 -17.27 50.59 95.51 coo 18.60 56.26 -8.31 18.53 57.26 -6.47 -15.69 43.98 89.75 -16.79 45.74 90.29 coo 11.37 50.89 2.29 11.05 51.63 2.25 -8.36 41.25 102.79 -7.69 40.99 102.42 ULMN 3 1ddj_c12 PLASMINOGEN user 3 3 # 3 A 603 HIS A 210 HIS^? 9.95 O1 SO4 A 230 A 646 ASP A 208 ASP^? 7.66 O1 SO4 A 230 A 739 GLY A 89 GLY^? 17.01 O1 SO4 A 230 coo 17.92 60.45 -3.51 16.63 61.88 -2.68 -16.02 49.92 93.97 -17.27 50.59 95.51 coo 18.60 56.26 -8.31 18.53 57.26 -6.47 -15.69 43.98 89.75 -16.79 45.74 90.29 coo 11.37 50.89 2.29 11.05 51.63 2.25 -4.32 51.99 94.40 -3.98 51.29 94.76 ULMN 3 1ddj_c12 PLASMINOGEN user 4 3 # 4 A 603 HIS B 97 HIS^? 12.49 O3 SO4 B 229 A 646 ASP B 120 ASP^? 8.68 O3 SO4 B 229 A 739 GLY B 113 GLY^? 19.67 O3 SO4 B 229 coo 17.92 60.45 -3.51 16.63 61.88 -2.68 -3.31 12.76 116.75 -2.66 14.35 115.55 coo 18.60 56.26 -8.31 18.53 57.26 -6.47 -4.32 17.92 112.37 -3.28 16.49 113.53 coo 11.37 50.89 2.29 11.05 51.63 2.25 -16.50 16.00 119.11 -16.15 15.37 118.67 ULMN 3 1ddj_c12 PLASMINOGEN user 5 3 # 5 A 603 HIS B 210 HIS^? 25.92 O1 SO4 B 229 A 646 ASP B 208 ASP^? 25.58 O1 SO4 B 229 A 739 GLY B 89 GLY^? 16.96 O1 SO4 B 229 coo 17.92 60.45 -3.51 16.63 61.88 -2.68 21.10 10.94 112.67 20.59 9.01 113.37 coo 18.60 56.26 -8.31 18.53 57.26 -6.47 22.68 13.69 106.98 23.40 15.21 108.39 coo 11.37 50.89 2.29 11.05 51.63 2.25 10.15 9.21 110.31 9.83 9.95 110.22 1ddj_c12 source 1ddj PLASMINOGEN : 5 hits 1ddj_c12 naa= 3 ULMN 3 1ddj_c13 PLASMINOGEN user 1 3 # 1 B 603 HIS A 97 HIS^? 10.66 O4 SO4 A 229 B 646 ASP A 120 ASP^? 7.17 O2 SO4 A 229 B 739 GLY A 113 GLY^? 16.24 O1 SO4 A 229 coo -28.76 37.11 -20.75 -29.48 38.32 -19.19 7.24 52.04 104.47 6.71 50.18 103.67 coo -23.42 34.83 -23.78 -25.09 36.03 -23.31 9.29 47.78 99.49 7.80 47.36 98.01 coo -24.60 49.24 -23.60 -24.80 48.99 -22.86 19.92 49.38 108.48 19.63 49.93 107.90 ULMN 3 1ddj_c13 PLASMINOGEN user 2 3 # 2 B 603 HIS A 210 HIS^? 9.95 O1 SO4 A 230 B 646 ASP A 208 ASP^? 7.66 O1 SO4 A 230 B 739 GLY A 29 GLY^? 9.91 O3 SO4 A 230 coo -28.76 37.11 -20.75 -29.48 38.32 -19.19 -16.02 49.92 93.97 -17.27 50.59 95.51 coo -23.42 34.83 -23.78 -25.09 36.03 -23.31 -15.69 43.98 89.75 -16.79 45.74 90.29 coo -24.60 49.24 -23.60 -24.80 48.99 -22.86 -8.36 41.25 102.79 -7.69 40.99 102.42 ULMN 3 1ddj_c13 PLASMINOGEN user 3 3 # 3 B 603 HIS A 210 HIS^? 9.95 O1 SO4 A 230 B 646 ASP A 208 ASP^? 7.66 O1 SO4 A 230 B 739 GLY A 89 GLY^? 17.01 O1 SO4 A 230 coo -28.76 37.11 -20.75 -29.48 38.32 -19.19 -16.02 49.92 93.97 -17.27 50.59 95.51 coo -23.42 34.83 -23.78 -25.09 36.03 -23.31 -15.69 43.98 89.75 -16.79 45.74 90.29 coo -24.60 49.24 -23.60 -24.80 48.99 -22.86 -4.32 51.99 94.40 -3.98 51.29 94.76 ULMN 3 1ddj_c13 PLASMINOGEN user 4 3 # 4 B 603 HIS B 97 HIS^? 12.49 O3 SO4 B 229 B 646 ASP B 120 ASP^? 8.68 O3 SO4 B 229 B 739 GLY B 113 GLY^? 19.67 O3 SO4 B 229 coo -28.76 37.11 -20.75 -29.48 38.32 -19.19 -3.31 12.76 116.75 -2.66 14.35 115.55 coo -23.42 34.83 -23.78 -25.09 36.03 -23.31 -4.32 17.92 112.37 -3.28 16.49 113.53 coo -24.60 49.24 -23.60 -24.80 48.99 -22.86 -16.50 16.00 119.11 -16.15 15.37 118.67 ULMN 3 1ddj_c13 PLASMINOGEN user 5 3 # 5 B 603 HIS B 210 HIS^? 25.92 O1 SO4 B 229 B 646 ASP B 208 ASP^? 25.58 O1 SO4 B 229 B 739 GLY B 89 GLY^? 16.96 O1 SO4 B 229 coo -28.76 37.11 -20.75 -29.48 38.32 -19.19 21.10 10.94 112.67 20.59 9.01 113.37 coo -23.42 34.83 -23.78 -25.09 36.03 -23.31 22.68 13.69 106.98 23.40 15.21 108.39 coo -24.60 49.24 -23.60 -24.80 48.99 -22.86 10.15 9.21 110.31 9.83 9.95 110.22 1ddj_c13 source 1ddj PLASMINOGEN : 5 hits 1ddj_c13 naa= 3 ULMN 3 1ddj_c14 PLASMINOGEN user 1 3 # 1 C 603 HIS A 97 HIS^? 10.66 O4 SO4 A 229 C 646 ASP A 120 ASP^? 7.17 O2 SO4 A 229 C 739 GLY A 89 GLY^? 17.01 O1 SO4 A 230 coo 15.33 59.81 59.60 13.98 60.99 60.69 7.24 52.04 104.47 6.71 50.18 103.67 coo 16.06 55.72 54.73 15.97 56.49 56.70 9.29 47.78 99.49 7.80 47.36 98.01 coo 9.38 49.29 65.28 9.01 50.03 65.31 -4.32 51.99 94.40 -3.98 51.29 94.76 ULMN 3 1ddj_c14 PLASMINOGEN user 2 3 # 2 C 603 HIS A 97 HIS^? 10.66 O4 SO4 A 229 C 646 ASP A 120 ASP^? 7.17 O2 SO4 A 229 C 739 GLY A 113 GLY^? 16.24 O1 SO4 A 229 coo 15.33 59.81 59.60 13.98 60.99 60.69 7.24 52.04 104.47 6.71 50.18 103.67 coo 16.06 55.72 54.73 15.97 56.49 56.70 9.29 47.78 99.49 7.80 47.36 98.01 coo 9.38 49.29 65.28 9.01 50.03 65.31 19.92 49.38 108.48 19.63 49.93 107.90 ULMN 3 1ddj_c14 PLASMINOGEN user 3 3 # 3 C 603 HIS A 210 HIS^? 9.95 O1 SO4 A 230 C 646 ASP A 208 ASP^? 7.66 O1 SO4 A 230 C 739 GLY A 29 GLY^? 9.91 O3 SO4 A 230 coo 15.33 59.81 59.60 13.98 60.99 60.69 -16.02 49.92 93.97 -17.27 50.59 95.51 coo 16.06 55.72 54.73 15.97 56.49 56.70 -15.69 43.98 89.75 -16.79 45.74 90.29 coo 9.38 49.29 65.28 9.01 50.03 65.31 -8.36 41.25 102.79 -7.69 40.99 102.42 ULMN 3 1ddj_c14 PLASMINOGEN user 4 3 # 4 C 603 HIS A 210 HIS^? 9.95 O1 SO4 A 230 C 646 ASP A 208 ASP^? 7.66 O1 SO4 A 230 C 739 GLY A 89 GLY^? 17.01 O1 SO4 A 230 coo 15.33 59.81 59.60 13.98 60.99 60.69 -16.02 49.92 93.97 -17.27 50.59 95.51 coo 16.06 55.72 54.73 15.97 56.49 56.70 -15.69 43.98 89.75 -16.79 45.74 90.29 coo 9.38 49.29 65.28 9.01 50.03 65.31 -4.32 51.99 94.40 -3.98 51.29 94.76 ULMN 3 1ddj_c14 PLASMINOGEN user 5 3 # 5 C 603 HIS B 97 HIS^? 12.49 O3 SO4 B 229 C 646 ASP B 120 ASP^? 8.68 O3 SO4 B 229 C 739 GLY B 113 GLY^? 19.67 O3 SO4 B 229 coo 15.33 59.81 59.60 13.98 60.99 60.69 -3.31 12.76 116.75 -2.66 14.35 115.55 coo 16.06 55.72 54.73 15.97 56.49 56.70 -4.32 17.92 112.37 -3.28 16.49 113.53 coo 9.38 49.29 65.28 9.01 50.03 65.31 -16.50 16.00 119.11 -16.15 15.37 118.67 1ddj_c14 source 1ddj PLASMINOGEN : 5 hits 1ddj_c14 naa= 3 ULMN 3 1ddj_c15 PLASMINOGEN user 1 3 # 1 D 603 HIS A 97 HIS^? 10.66 O4 SO4 A 229 D 646 ASP A 120 ASP^? 7.17 O2 SO4 A 229 D 739 GLY A 89 GLY^? 17.01 O1 SO4 A 230 coo -30.51 33.83 43.05 -30.50 33.12 45.03 7.24 52.04 104.47 6.71 50.18 103.67 coo -25.73 33.05 39.28 -27.50 34.05 39.88 9.29 47.78 99.49 7.80 47.36 98.01 coo -27.66 47.32 40.66 -27.81 47.01 41.41 -4.32 51.99 94.40 -3.98 51.29 94.76 ULMN 3 1ddj_c15 PLASMINOGEN user 2 3 # 2 D 603 HIS A 97 HIS^? 10.66 O4 SO4 A 229 D 646 ASP A 120 ASP^? 7.17 O2 SO4 A 229 D 739 GLY A 113 GLY^? 16.24 O1 SO4 A 229 coo -30.51 33.83 43.05 -30.50 33.12 45.03 7.24 52.04 104.47 6.71 50.18 103.67 coo -25.73 33.05 39.28 -27.50 34.05 39.88 9.29 47.78 99.49 7.80 47.36 98.01 coo -27.66 47.32 40.66 -27.81 47.01 41.41 19.92 49.38 108.48 19.63 49.93 107.90 ULMN 3 1ddj_c15 PLASMINOGEN user 3 3 # 3 D 603 HIS A 210 HIS^? 9.95 O1 SO4 A 230 D 646 ASP A 208 ASP^? 7.66 O1 SO4 A 230 D 739 GLY A 29 GLY^? 9.91 O3 SO4 A 230 coo -30.51 33.83 43.05 -30.50 33.12 45.03 -16.02 49.92 93.97 -17.27 50.59 95.51 coo -25.73 33.05 39.28 -27.50 34.05 39.88 -15.69 43.98 89.75 -16.79 45.74 90.29 coo -27.66 47.32 40.66 -27.81 47.01 41.41 -8.36 41.25 102.79 -7.69 40.99 102.42 ULMN 3 1ddj_c15 PLASMINOGEN user 4 3 # 4 D 603 HIS B 97 HIS^? 12.49 O3 SO4 B 229 D 646 ASP B 120 ASP^? 8.68 O3 SO4 B 229 D 739 GLY B 113 GLY^? 19.67 O3 SO4 B 229 coo -30.51 33.83 43.05 -30.50 33.12 45.03 -3.31 12.76 116.75 -2.66 14.35 115.55 coo -25.73 33.05 39.28 -27.50 34.05 39.88 -4.32 17.92 112.37 -3.28 16.49 113.53 coo -27.66 47.32 40.66 -27.81 47.01 41.41 -16.50 16.00 119.11 -16.15 15.37 118.67 ULMN 3 1ddj_c15 PLASMINOGEN user 5 3 # 5 D 603 HIS B 97 HIS^? 12.49 O3 SO4 B 229 D 646 ASP B 120 ASP^? 8.68 O3 SO4 B 229 D 739 GLY B 130 GLY^? 19.11 O2 SO4 B 229 coo -30.51 33.83 43.05 -30.50 33.12 45.03 -3.31 12.76 116.75 -2.66 14.35 115.55 coo -25.73 33.05 39.28 -27.50 34.05 39.88 -4.32 17.92 112.37 -3.28 16.49 113.53 coo -27.66 47.32 40.66 -27.81 47.01 41.41 -14.25 5.51 108.72 -14.86 5.83 109.14 ULMN 3 1ddj_c15 PLASMINOGEN user 6 3 # 6 D 603 HIS B 210 HIS^? 25.92 O1 SO4 B 229 D 646 ASP B 208 ASP^? 25.58 O1 SO4 B 229 D 739 GLY B 29 GLY^? 15.41 O3 SO4 B 229 coo -30.51 33.83 43.05 -30.50 33.12 45.03 21.10 10.94 112.67 20.59 9.01 113.37 coo -25.73 33.05 39.28 -27.50 34.05 39.88 22.68 13.69 106.98 23.40 15.21 108.39 coo -27.66 47.32 40.66 -27.81 47.01 41.41 11.30 23.21 112.72 10.85 23.02 112.05 1ddj_c15 source 1ddj PLASMINOGEN : 6 hits 1ddj_c15 naa= 3 ULMN 3 1de3_c00 RIBONUCLEASE ALPHA-SARCIN user 1 3 # 1 A 50 HIS A 91 HIS^? 17.38 O4 SO4 A 229 A 96 GLU A 96 GLU^? 17.08 O4 SO4 A 229 A 137 HIS A 97 HIS^? 10.66 O4 SO4 A 229 coo 1.83 2.95 4.76 1.26 0.98 4.81 -3.47 53.98 101.75 -2.43 55.80 101.90 coo 2.09 -1.43 1.72 1.90 -3.41 2.37 1.22 55.68 105.58 1.14 56.60 103.71 coo -3.67 -7.38 4.26 -2.89 -5.51 4.56 7.24 52.04 104.47 6.71 50.18 103.67 1de3_c00 source 1de3 RIBONUCLEASE ALPHA-SARCIN : 1 hits 1de3_c00 naa= 3 ULMN 3 1dfo_c12 SERINE HYDROXYMETHYLTRANSFERASE user 1 3 # 1 A 123 HIS A 9 HIS.? 23.14 O2 SO4 A 230 A 200 ASP A 39 ASP^? 5.87 O2 SO4 A 230 A 229 LYS A 209 LYS^? -15.38 O1 SO4 A 230s coo 1.13 77.49 40.64 0.62 75.57 39.98 -13.85 29.27 75.39 -15.86 28.68 75.21 coo 0.84 91.24 49.01 2.91 91.61 49.23 -16.67 33.15 92.05 -17.20 32.80 93.99 coo 10.53 97.56 43.71 9.33 93.71 47.17 -11.65 46.61 90.96 -7.59 51.79 90.86 ULMN 3 1dfo_c12 SERINE HYDROXYMETHYLTRANSFERASE user 2 3 # 2 A 123 HIS A 9 HIS.? 23.14 O2 SO4 A 230 A 200 ASP A 64 ASP^? 16.48 O4 SO4 A 231 A 229 LYS A 35 LYS^? 11.43 O2 SO4 A 230 coo 1.13 77.49 40.64 0.62 75.57 39.98 -13.85 29.27 75.39 -15.86 28.68 75.21 coo 0.84 91.24 49.01 2.91 91.61 49.23 -0.89 32.13 86.35 -1.06 30.06 86.04 coo 10.53 97.56 43.71 9.33 93.71 47.17 -9.76 35.16 95.20 -10.16 29.64 98.57 ULMN 3 1dfo_c12 SERINE HYDROXYMETHYLTRANSFERASE user 3 3 # 3 A 123 HIS A 47 HIS^? 9.70 O3 SO4 A 229 A 200 ASP A 52 ASP^? 8.69 O1 SO4 A 229 A 229 LYS A 122 LYS^? 10.06 O1 SO4 A 229 coo 1.13 77.49 40.64 0.62 75.57 39.98 0.48 32.34 101.22 -1.58 32.73 101.11 coo 0.84 91.24 49.01 2.91 91.61 49.23 13.74 39.26 94.65 14.56 41.23 94.45 coo 10.53 97.56 43.71 9.33 93.71 47.17 16.00 48.82 99.35 17.27 43.58 96.56 ULMN 3 1dfo_c12 SERINE HYDROXYMETHYLTRANSFERASE user 4 3 # 4 A 123 HIS A 142 HIS^? 12.26 O4 SO4 A 229 A 200 ASP A 152 ASP^? 26.69 O1 SO4 A 229 A 229 LYS A 110 LYS^? 28.35 O1 SO4 A 229 coo 1.13 77.49 40.64 0.62 75.57 39.98 13.21 42.55 113.57 11.63 42.05 112.27 coo 0.84 91.24 49.01 2.91 91.61 49.23 26.30 50.40 115.87 28.14 49.86 116.76 coo 10.53 97.56 43.71 9.33 93.71 47.17 25.55 58.06 108.35 29.49 58.97 105.77 ULMN 3 1dfo_c12 SERINE HYDROXYMETHYLTRANSFERASE user 5 3 # 5 A 123 HIS B 47 HIS^? 9.69 O4 SO4 B 229 A 200 ASP A 52 ASP^? 8.69 O1 SO4 A 229 A 229 LYS A 122 LYS^? 10.06 O1 SO4 A 229 coo 1.13 77.49 40.64 0.62 75.57 39.98 4.75 28.44 103.45 6.59 28.31 104.44 coo 0.84 91.24 49.01 2.91 91.61 49.23 13.74 39.26 94.65 14.56 41.23 94.45 coo 10.53 97.56 43.71 9.33 93.71 47.17 16.00 48.82 99.35 17.27 43.58 96.56 ULMN 3 1dfo_c12 SERINE HYDROXYMETHYLTRANSFERASE user 6 3 # 6 A 123 HIS B 142 HIS^? 20.91 O3 SO4 B 229 A 200 ASP B 152 ASP^? 28.21 O3 SO4 B 229 A 229 LYS B 110 LYS^? 32.96 O3 SO4 B 229 coo 1.13 77.49 40.64 0.62 75.57 39.98 -10.19 23.71 125.79 -8.10 23.78 126.04 coo 0.84 91.24 49.01 2.91 91.61 49.23 -23.75 16.28 125.41 -24.46 16.83 123.47 coo 10.53 97.56 43.71 9.33 93.71 47.17 -21.89 7.24 119.36 -25.62 3.73 122.06 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 9 HIS.? 23.14 O2 SO4 A 230 B 200 ASP A 39 ASP^? 5.87 O2 SO4 A 230 B 229 LYS A 209 LYS^? -15.38 O1 SO4 A 230s coo 9.24 94.26 88.22 8.02 94.07 89.92 -13.85 29.27 75.39 -15.86 28.68 75.21 coo 17.54 90.31 75.01 17.17 92.01 73.80 -16.67 33.15 92.05 -17.20 32.80 93.99 coo 22.32 101.61 71.64 17.89 98.63 71.55 -11.65 46.61 90.96 -7.59 51.79 90.86 ULMN 3 1dfo_c13 SERINE HYDROXYMETHYLTRANSFERASE user 2 3 # 2 B 123 HIS A 9 HIS.? 23.14 O2 SO4 A 230 B 200 ASP A 64 ASP^? 16.48 O4 SO4 A 231 B 229 LYS A 35 LYS^? 11.43 O2 SO4 A 230 coo 9.24 94.26 88.22 8.02 94.07 89.92 -13.85 29.27 75.39 -15.86 28.68 75.21 coo 17.54 90.31 75.01 17.17 92.01 73.80 -0.89 32.13 86.35 -1.06 30.06 86.04 coo 22.32 101.61 71.64 17.89 98.63 71.55 -9.76 35.16 95.20 -10.16 29.64 98.57 ULMN 3 1dfo_c13 SERINE HYDROXYMETHYLTRANSFERASE user 3 3 # 3 B 123 HIS A 47 HIS^? 9.70 O3 SO4 A 229 B 200 ASP A 52 ASP^? 8.69 O1 SO4 A 229 B 229 LYS A 122 LYS^? 10.06 O1 SO4 A 229 coo 9.24 94.26 88.22 8.02 94.07 89.92 0.48 32.34 101.22 -1.58 32.73 101.11 coo 17.54 90.31 75.01 17.17 92.01 73.80 13.74 39.26 94.65 14.56 41.23 94.45 coo 22.32 101.61 71.64 17.89 98.63 71.55 16.00 48.82 99.35 17.27 43.58 96.56 ULMN 3 1dfo_c13 SERINE HYDROXYMETHYLTRANSFERASE user 4 3 # 4 B 123 HIS A 142 HIS^? 12.26 O4 SO4 A 229 B 200 ASP A 152 ASP^? 26.69 O1 SO4 A 229 B 229 LYS A 110 LYS^? 28.35 O1 SO4 A 229 coo 9.24 94.26 88.22 8.02 94.07 89.92 13.21 42.55 113.57 11.63 42.05 112.27 coo 17.54 90.31 75.01 17.17 92.01 73.80 26.30 50.40 115.87 28.14 49.86 116.76 coo 22.32 101.61 71.64 17.89 98.63 71.55 25.55 58.06 108.35 29.49 58.97 105.77 ULMN 3 1dfo_c13 SERINE HYDROXYMETHYLTRANSFERASE user 5 3 # 5 B 123 HIS B 47 HIS^? 9.69 O4 SO4 B 229 B 200 ASP A 52 ASP^? 8.69 O1 SO4 A 229 B 229 LYS A 122 LYS^? 10.06 O1 SO4 A 229 coo 9.24 94.26 88.22 8.02 94.07 89.92 4.75 28.44 103.45 6.59 28.31 104.44 coo 17.54 90.31 75.01 17.17 92.01 73.80 13.74 39.26 94.65 14.56 41.23 94.45 coo 22.32 101.61 71.64 17.89 98.63 71.55 16.00 48.82 99.35 17.27 43.58 96.56 ULMN 3 1dfo_c13 SERINE HYDROXYMETHYLTRANSFERASE user 6 3 # 6 B 123 HIS B 142 HIS^? 20.91 O3 SO4 B 229 B 200 ASP B 152 ASP^? 28.21 O3 SO4 B 229 B 229 LYS B 110 LYS^? 32.96 O3 SO4 B 229 coo 9.24 94.26 88.22 8.02 94.07 89.92 -10.19 23.71 125.79 -8.10 23.78 126.04 coo 17.54 90.31 75.01 17.17 92.01 73.80 -23.75 16.28 125.41 -24.46 16.83 123.47 coo 22.32 101.61 71.64 17.89 98.63 71.55 -21.89 7.24 119.36 -25.62 3.73 122.06 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 9 HIS.? 23.14 O2 SO4 A 230 C 200 ASP A 39 ASP^? 5.87 O2 SO4 A 230 C 229 LYS A 209 LYS^? -15.38 O1 SO4 A 230s coo 26.77 65.84 83.49 27.06 67.76 84.27 -13.85 29.27 75.39 -15.86 28.68 75.21 coo 19.52 52.01 79.59 20.28 51.65 77.65 -16.67 33.15 92.05 -17.20 32.80 93.99 coo 28.90 45.91 73.55 25.22 49.72 72.97 -11.65 46.61 90.96 -7.59 51.79 90.86 ULMN 3 1dfo_c14 SERINE HYDROXYMETHYLTRANSFERASE user 2 3 # 2 C 123 HIS A 9 HIS.? 23.14 O2 SO4 A 230 C 200 ASP A 64 ASP^? 16.48 O4 SO4 A 231 C 229 LYS A 35 LYS^? 11.43 O2 SO4 A 230 coo 26.77 65.84 83.49 27.06 67.76 84.27 -13.85 29.27 75.39 -15.86 28.68 75.21 coo 19.52 52.01 79.59 20.28 51.65 77.65 -0.89 32.13 86.35 -1.06 30.06 86.04 coo 28.90 45.91 73.55 25.22 49.72 72.97 -9.76 35.16 95.20 -10.16 29.64 98.57 ULMN 3 1dfo_c14 SERINE HYDROXYMETHYLTRANSFERASE user 3 3 # 3 C 123 HIS A 47 HIS^? 9.70 O3 SO4 A 229 C 200 ASP A 52 ASP^? 8.69 O1 SO4 A 229 C 229 LYS A 122 LYS^? 10.06 O1 SO4 A 229 coo 26.77 65.84 83.49 27.06 67.76 84.27 0.48 32.34 101.22 -1.58 32.73 101.11 coo 19.52 52.01 79.59 20.28 51.65 77.65 13.74 39.26 94.65 14.56 41.23 94.45 coo 28.90 45.91 73.55 25.22 49.72 72.97 16.00 48.82 99.35 17.27 43.58 96.56 ULMN 3 1dfo_c14 SERINE HYDROXYMETHYLTRANSFERASE user 4 3 # 4 C 123 HIS A 142 HIS^? 12.26 O4 SO4 A 229 C 200 ASP A 152 ASP^? 26.69 O1 SO4 A 229 C 229 LYS A 110 LYS^? 28.35 O1 SO4 A 229 coo 26.77 65.84 83.49 27.06 67.76 84.27 13.21 42.55 113.57 11.63 42.05 112.27 coo 19.52 52.01 79.59 20.28 51.65 77.65 26.30 50.40 115.87 28.14 49.86 116.76 coo 28.90 45.91 73.55 25.22 49.72 72.97 25.55 58.06 108.35 29.49 58.97 105.77 ULMN 3 1dfo_c14 SERINE HYDROXYMETHYLTRANSFERASE user 5 3 # 5 C 123 HIS B 47 HIS^? 9.69 O4 SO4 B 229 C 200 ASP A 52 ASP^? 8.69 O1 SO4 A 229 C 229 LYS A 122 LYS^? 10.06 O1 SO4 A 229 coo 26.77 65.84 83.49 27.06 67.76 84.27 4.75 28.44 103.45 6.59 28.31 104.44 coo 19.52 52.01 79.59 20.28 51.65 77.65 13.74 39.26 94.65 14.56 41.23 94.45 coo 28.90 45.91 73.55 25.22 49.72 72.97 16.00 48.82 99.35 17.27 43.58 96.56 ULMN 3 1dfo_c14 SERINE HYDROXYMETHYLTRANSFERASE user 6 3 # 6 C 123 HIS B 142 HIS^? 20.91 O3 SO4 B 229 C 200 ASP B 152 ASP^? 28.21 O3 SO4 B 229 C 229 LYS B 110 LYS^? 32.96 O3 SO4 B 229 coo 26.77 65.84 83.49 27.06 67.76 84.27 -10.19 23.71 125.79 -8.10 23.78 126.04 coo 19.52 52.01 79.59 20.28 51.65 77.65 -23.75 16.28 125.41 -24.46 16.83 123.47 coo 28.90 45.91 73.55 25.22 49.72 72.97 -21.89 7.24 119.36 -25.62 3.73 122.06 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 9 HIS.? 23.14 O2 SO4 A 230 D 200 ASP A 39 ASP^? 5.87 O2 SO4 A 230 D 229 LYS A 209 LYS^? -15.38 O1 SO4 A 230s coo -10.90 48.74 53.41 -12.98 48.90 53.67 -13.85 29.27 75.39 -15.86 28.68 75.21 coo 4.60 52.95 52.50 5.57 51.29 53.40 -16.67 33.15 92.05 -17.20 32.80 93.99 coo 10.05 41.79 49.80 7.94 44.71 53.76 -11.65 46.61 90.96 -7.59 51.79 90.86 ULMN 3 1dfo_c15 SERINE HYDROXYMETHYLTRANSFERASE user 2 3 # 2 D 123 HIS A 9 HIS.? 23.14 O2 SO4 A 230 D 200 ASP A 64 ASP^? 16.48 O4 SO4 A 231 D 229 LYS A 35 LYS^? 11.43 O2 SO4 A 230 coo -10.90 48.74 53.41 -12.98 48.90 53.67 -13.85 29.27 75.39 -15.86 28.68 75.21 coo 4.60 52.95 52.50 5.57 51.29 53.40 -0.89 32.13 86.35 -1.06 30.06 86.04 coo 10.05 41.79 49.80 7.94 44.71 53.76 -9.76 35.16 95.20 -10.16 29.64 98.57 ULMN 3 1dfo_c15 SERINE HYDROXYMETHYLTRANSFERASE user 3 3 # 3 D 123 HIS A 47 HIS^? 9.70 O3 SO4 A 229 D 200 ASP A 52 ASP^? 8.69 O1 SO4 A 229 D 229 LYS A 122 LYS^? 10.06 O1 SO4 A 229 coo -10.90 48.74 53.41 -12.98 48.90 53.67 0.48 32.34 101.22 -1.58 32.73 101.11 coo 4.60 52.95 52.50 5.57 51.29 53.40 13.74 39.26 94.65 14.56 41.23 94.45 coo 10.05 41.79 49.80 7.94 44.71 53.76 16.00 48.82 99.35 17.27 43.58 96.56 ULMN 3 1dfo_c15 SERINE HYDROXYMETHYLTRANSFERASE user 4 3 # 4 D 123 HIS A 142 HIS^? 12.26 O4 SO4 A 229 D 200 ASP A 152 ASP^? 26.69 O1 SO4 A 229 D 229 LYS A 110 LYS^? 28.35 O1 SO4 A 229 coo -10.90 48.74 53.41 -12.98 48.90 53.67 13.21 42.55 113.57 11.63 42.05 112.27 coo 4.60 52.95 52.50 5.57 51.29 53.40 26.30 50.40 115.87 28.14 49.86 116.76 coo 10.05 41.79 49.80 7.94 44.71 53.76 25.55 58.06 108.35 29.49 58.97 105.77 ULMN 3 1dfo_c15 SERINE HYDROXYMETHYLTRANSFERASE user 5 3 # 5 D 123 HIS B 47 HIS^? 9.69 O4 SO4 B 229 D 200 ASP A 52 ASP^? 8.69 O1 SO4 A 229 D 229 LYS A 122 LYS^? 10.06 O1 SO4 A 229 coo -10.90 48.74 53.41 -12.98 48.90 53.67 4.75 28.44 103.45 6.59 28.31 104.44 coo 4.60 52.95 52.50 5.57 51.29 53.40 13.74 39.26 94.65 14.56 41.23 94.45 coo 10.05 41.79 49.80 7.94 44.71 53.76 16.00 48.82 99.35 17.27 43.58 96.56 ULMN 3 1dfo_c15 SERINE HYDROXYMETHYLTRANSFERASE user 6 3 # 6 D 123 HIS B 142 HIS^? 20.91 O3 SO4 B 229 D 200 ASP B 152 ASP^? 28.21 O3 SO4 B 229 D 229 LYS B 110 LYS^? 32.96 O3 SO4 B 229 coo -10.90 48.74 53.41 -12.98 48.90 53.67 -10.19 23.71 125.79 -8.10 23.78 126.04 coo 4.60 52.95 52.50 5.57 51.29 53.40 -23.75 16.28 125.41 -24.46 16.83 123.47 coo 10.05 41.79 49.80 7.94 44.71 53.76 -21.89 7.24 119.36 -25.62 3.73 122.06 1dfo_c15 source 1dfo SERINE HYDROXYMETHYLTRANSFERASE : 6 hits 1dfo_c15 naa= 3 ULMN 3 1dhp_c00 DIHYDRODIPICOLINATE SYNTHASE user 1 3 # 1 A 133 TYR B 45 TYR^? 13.10 O4 SO4 B 229 A 138 ARG A 49 ARG^? -7.08 O1 SO4 A 229s A 161 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo 29.03 88.95 86.80 28.09 90.57 84.75 10.04 26.44 102.60 11.44 24.36 103.85 coo 23.31 93.18 82.88 23.00 93.71 79.86 10.25 36.07 104.69 11.36 37.50 107.24 coo 33.83 91.15 88.62 31.07 91.06 83.02 16.47 24.53 104.57 15.75 30.78 103.34 1dhp_c00 source 1dhp DIHYDRODIPICOLINATE SYNTHASE : 1 hits 1dhp_c00 naa= 3 ULMN 3 1dhp_c01 DIHYDRODIPICOLINATE SYNTHASE user 1 3 # 1 B 133 TYR B 45 TYR^? 13.10 O4 SO4 B 229 B 138 ARG A 49 ARG^? -7.08 O1 SO4 A 229s B 161 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo 4.62 122.69 99.88 5.46 122.82 97.24 10.04 26.44 102.60 11.44 24.36 103.85 coo 10.44 122.27 94.08 11.02 123.87 91.53 10.25 36.07 104.69 11.36 37.50 107.24 coo -0.17 119.75 99.65 2.51 123.83 95.70 16.47 24.53 104.57 15.75 30.78 103.34 1dhp_c01 source 1dhp DIHYDRODIPICOLINATE SYNTHASE : 1 hits 1dhp_c01 naa= 3 ULMN 3 1ds2_c02 PROTEINASE B (SGPB user 1 3 # 1 E 57 HIS A 210 HIS^? 9.95 O1 SO4 A 230 E 102 ASP A 208 ASP^? 7.66 O1 SO4 A 230 E 193 GLY A 89 GLY^? 17.01 O1 SO4 A 230 coo 11.39 26.86 25.95 9.85 26.64 27.36 -16.02 49.92 93.97 -17.27 50.59 95.51 coo 10.90 32.83 25.96 10.83 30.68 25.98 -15.69 43.98 89.75 -16.79 45.74 90.29 coo 4.57 20.60 30.29 4.74 21.36 30.66 -4.32 51.99 94.40 -3.98 51.29 94.76 ULMN 3 1ds2_c02 PROTEINASE B (SGPB user 2 3 # 2 E 57 HIS B 210 HIS^? 25.92 O1 SO4 B 229 E 102 ASP B 208 ASP^? 25.58 O1 SO4 B 229 E 193 GLY B 89 GLY^? 16.96 O1 SO4 B 229 coo 11.39 26.86 25.95 9.85 26.64 27.36 21.10 10.94 112.67 20.59 9.01 113.37 coo 10.90 32.83 25.96 10.83 30.68 25.98 22.68 13.69 106.98 23.40 15.21 108.39 coo 4.57 20.60 30.29 4.74 21.36 30.66 10.15 9.21 110.31 9.83 9.95 110.22 1ds2_c02 source 1ds2 PROTEINASE B (SGPB : 2 hits 1ds2_c02 naa= 3 ULMN 3 1dub_c13 2-ENOYL-COA HYDRATASE user 1 3 # 1 B 141 GLY A 89 GLY^? 17.01 O1 SO4 A 230 B 144 GLU A 187 GLU^? 15.53 O2 SO4 A 229 B 164 GLU A 87 GLU^? 17.80 O2 SO4 A 229 coo 88.87 114.43 152.30 88.45 115.15 152.32 -4.32 51.99 94.40 -3.98 51.29 94.76 coo 85.20 111.99 152.05 86.60 110.89 150.91 -0.92 50.23 94.11 -1.07 51.49 92.41 coo 88.14 113.46 145.73 86.79 113.92 147.30 -1.36 49.08 88.76 -0.85 50.53 87.31 ULMN 3 1dub_c13 2-ENOYL-COA HYDRATASE user 2 3 # 2 B 141 GLY A 104 GLY^? 29.81 O4 SO4 A 229 B 144 GLU A 105 GLU^? 30.13 O4 SO4 A 229 B 164 GLU A 172 GLU^? 26.58 O4 SO4 A 229 coo 88.87 114.43 152.30 88.45 115.15 152.32 16.55 64.58 117.04 16.86 63.88 116.91 coo 85.20 111.99 152.05 86.60 110.89 150.91 20.63 62.21 117.15 22.45 61.29 117.66 coo 88.14 113.46 145.73 86.79 113.92 147.30 13.47 60.86 115.95 13.70 62.79 115.15 ULMN 3 1dub_c13 2-ENOYL-COA HYDRATASE user 3 3 # 3 B 141 GLY A 104 GLY^? 29.81 O4 SO4 A 229 B 144 GLU A 172 GLU^? 26.58 O4 SO4 A 229 B 164 GLU A 105 GLU^? 30.13 O4 SO4 A 229 coo 88.87 114.43 152.30 88.45 115.15 152.32 16.55 64.58 117.04 16.86 63.88 116.91 coo 85.20 111.99 152.05 86.60 110.89 150.91 13.47 60.86 115.95 13.70 62.79 115.15 coo 88.14 113.46 145.73 86.79 113.92 147.30 20.63 62.21 117.15 22.45 61.29 117.66 ULMN 3 1dub_c13 2-ENOYL-COA HYDRATASE user 4 3 # 4 B 141 GLY B 89 GLY^? 16.96 O1 SO4 B 229 B 144 GLU B 187 GLU^? 15.82 O1 SO4 B 229 B 164 GLU B 87 GLU^? 17.71 O1 SO4 B 229 coo 88.87 114.43 152.30 88.45 115.15 152.32 10.15 9.21 110.31 9.83 9.95 110.22 coo 85.20 111.99 152.05 86.60 110.89 150.91 5.79 8.67 109.77 5.71 6.74 108.88 coo 88.14 113.46 145.73 86.79 113.92 147.30 10.05 8.18 103.44 9.48 6.19 103.45 ULMN 3 1dub_c13 2-ENOYL-COA HYDRATASE user 5 3 # 5 B 141 GLY B 104 GLY^? 32.77 O3 SO4 B 229 B 144 GLU B 105 GLU^? 33.36 O3 SO4 B 229 B 164 GLU B 172 GLU^? 30.08 O3 SO4 B 229 coo 88.87 114.43 152.30 88.45 115.15 152.32 -14.69 2.06 129.94 -14.89 2.75 129.58 coo 85.20 111.99 152.05 86.60 110.89 150.91 -18.43 5.03 129.05 -20.50 4.52 128.90 coo 88.14 113.46 145.73 86.79 113.92 147.30 -11.19 5.19 128.37 -11.78 3.12 128.47 ULMN 3 1dub_c13 2-ENOYL-COA HYDRATASE user 6 3 # 6 B 141 GLY B 104 GLY^? 32.77 O3 SO4 B 229 B 144 GLU B 172 GLU^? 30.08 O3 SO4 B 229 B 164 GLU B 105 GLU^? 33.36 O3 SO4 B 229 coo 88.87 114.43 152.30 88.45 115.15 152.32 -14.69 2.06 129.94 -14.89 2.75 129.58 coo 85.20 111.99 152.05 86.60 110.89 150.91 -11.19 5.19 128.37 -11.78 3.12 128.47 coo 88.14 113.46 145.73 86.79 113.92 147.30 -18.43 5.03 129.05 -20.50 4.52 128.90 1dub_c13 source 1dub 2-ENOYL-COA HYDRATASE : 6 hits 1dub_c13 naa= 3 ULMN 3 1dub_c14 2-ENOYL-COA HYDRATASE user 1 3 # 1 C 141 GLY A 89 GLY^? 17.01 O1 SO4 A 230 C 144 GLU A 187 GLU^? 15.53 O2 SO4 A 229 C 164 GLU A 87 GLU^? 17.80 O2 SO4 A 229 coo 56.28 104.55 135.84 56.09 105.34 136.05 -4.32 51.99 94.40 -3.98 51.29 94.76 coo 58.46 103.90 139.48 57.57 102.00 139.16 -0.92 50.23 94.11 -1.07 51.49 92.41 coo 51.71 102.03 140.09 53.02 103.62 140.54 -1.36 49.08 88.76 -0.85 50.53 87.31 ULMN 3 1dub_c14 2-ENOYL-COA HYDRATASE user 2 3 # 2 C 141 GLY A 104 GLY^? 29.81 O4 SO4 A 229 C 144 GLU A 105 GLU^? 30.13 O4 SO4 A 229 C 164 GLU A 172 GLU^? 26.58 O4 SO4 A 229 coo 56.28 104.55 135.84 56.09 105.34 136.05 16.55 64.58 117.04 16.86 63.88 116.91 coo 58.46 103.90 139.48 57.57 102.00 139.16 20.63 62.21 117.15 22.45 61.29 117.66 coo 51.71 102.03 140.09 53.02 103.62 140.54 13.47 60.86 115.95 13.70 62.79 115.15 ULMN 3 1dub_c14 2-ENOYL-COA HYDRATASE user 3 3 # 3 C 141 GLY A 104 GLY^? 29.81 O4 SO4 A 229 C 144 GLU A 172 GLU^? 26.58 O4 SO4 A 229 C 164 GLU A 105 GLU^? 30.13 O4 SO4 A 229 coo 56.28 104.55 135.84 56.09 105.34 136.05 16.55 64.58 117.04 16.86 63.88 116.91 coo 58.46 103.90 139.48 57.57 102.00 139.16 13.47 60.86 115.95 13.70 62.79 115.15 coo 51.71 102.03 140.09 53.02 103.62 140.54 20.63 62.21 117.15 22.45 61.29 117.66 ULMN 3 1dub_c14 2-ENOYL-COA HYDRATASE user 4 3 # 4 C 141 GLY B 89 GLY^? 16.96 O1 SO4 B 229 C 144 GLU B 187 GLU^? 15.82 O1 SO4 B 229 C 164 GLU B 87 GLU^? 17.71 O1 SO4 B 229 coo 56.28 104.55 135.84 56.09 105.34 136.05 10.15 9.21 110.31 9.83 9.95 110.22 coo 58.46 103.90 139.48 57.57 102.00 139.16 5.79 8.67 109.77 5.71 6.74 108.88 coo 51.71 102.03 140.09 53.02 103.62 140.54 10.05 8.18 103.44 9.48 6.19 103.45 ULMN 3 1dub_c14 2-ENOYL-COA HYDRATASE user 5 3 # 5 C 141 GLY B 104 GLY^? 32.77 O3 SO4 B 229 C 144 GLU B 105 GLU^? 33.36 O3 SO4 B 229 C 164 GLU B 172 GLU^? 30.08 O3 SO4 B 229 coo 56.28 104.55 135.84 56.09 105.34 136.05 -14.69 2.06 129.94 -14.89 2.75 129.58 coo 58.46 103.90 139.48 57.57 102.00 139.16 -18.43 5.03 129.05 -20.50 4.52 128.90 coo 51.71 102.03 140.09 53.02 103.62 140.54 -11.19 5.19 128.37 -11.78 3.12 128.47 ULMN 3 1dub_c14 2-ENOYL-COA HYDRATASE user 6 3 # 6 C 141 GLY B 104 GLY^? 32.77 O3 SO4 B 229 C 144 GLU B 172 GLU^? 30.08 O3 SO4 B 229 C 164 GLU B 105 GLU^? 33.36 O3 SO4 B 229 coo 56.28 104.55 135.84 56.09 105.34 136.05 -14.69 2.06 129.94 -14.89 2.75 129.58 coo 58.46 103.90 139.48 57.57 102.00 139.16 -11.19 5.19 128.37 -11.78 3.12 128.47 coo 51.71 102.03 140.09 53.02 103.62 140.54 -18.43 5.03 129.05 -20.50 4.52 128.90 1dub_c14 source 1dub 2-ENOYL-COA HYDRATASE : 6 hits 1dub_c14 naa= 3 ULMN 3 1dub_c15 2-ENOYL-COA HYDRATASE user 1 3 # 1 D 141 GLY A 89 GLY^? 17.01 O1 SO4 A 230 D 144 GLU A 187 GLU^? 15.53 O2 SO4 A 229 D 164 GLU A 87 GLU^? 17.80 O2 SO4 A 229 coo 86.19 80.64 132.77 86.38 79.85 132.93 -4.32 51.99 94.40 -3.98 51.29 94.76 coo 84.75 81.24 136.88 85.62 83.14 136.43 -0.92 50.23 94.11 -1.07 51.49 92.41 coo 91.47 83.05 136.24 90.35 81.38 136.84 -1.36 49.08 88.76 -0.85 50.53 87.31 ULMN 3 1dub_c15 2-ENOYL-COA HYDRATASE user 2 3 # 2 D 141 GLY A 104 GLY^? 29.81 O4 SO4 A 229 D 144 GLU A 105 GLU^? 30.13 O4 SO4 A 229 D 164 GLU A 172 GLU^? 26.58 O4 SO4 A 229 coo 86.19 80.64 132.77 86.38 79.85 132.93 16.55 64.58 117.04 16.86 63.88 116.91 coo 84.75 81.24 136.88 85.62 83.14 136.43 20.63 62.21 117.15 22.45 61.29 117.66 coo 91.47 83.05 136.24 90.35 81.38 136.84 13.47 60.86 115.95 13.70 62.79 115.15 ULMN 3 1dub_c15 2-ENOYL-COA HYDRATASE user 3 3 # 3 D 141 GLY B 89 GLY^? 16.96 O1 SO4 B 229 D 144 GLU B 187 GLU^? 15.82 O1 SO4 B 229 D 164 GLU B 87 GLU^? 17.71 O1 SO4 B 229 coo 86.19 80.64 132.77 86.38 79.85 132.93 10.15 9.21 110.31 9.83 9.95 110.22 coo 84.75 81.24 136.88 85.62 83.14 136.43 5.79 8.67 109.77 5.71 6.74 108.88 coo 91.47 83.05 136.24 90.35 81.38 136.84 10.05 8.18 103.44 9.48 6.19 103.45 ULMN 3 1dub_c15 2-ENOYL-COA HYDRATASE user 4 3 # 4 D 141 GLY B 104 GLY^? 32.77 O3 SO4 B 229 D 144 GLU B 105 GLU^? 33.36 O3 SO4 B 229 D 164 GLU B 172 GLU^? 30.08 O3 SO4 B 229 coo 86.19 80.64 132.77 86.38 79.85 132.93 -14.69 2.06 129.94 -14.89 2.75 129.58 coo 84.75 81.24 136.88 85.62 83.14 136.43 -18.43 5.03 129.05 -20.50 4.52 128.90 coo 91.47 83.05 136.24 90.35 81.38 136.84 -11.19 5.19 128.37 -11.78 3.12 128.47 ULMN 3 1dub_c15 2-ENOYL-COA HYDRATASE user 5 3 # 5 D 141 GLY B 104 GLY^? 32.77 O3 SO4 B 229 D 144 GLU B 172 GLU^? 30.08 O3 SO4 B 229 D 164 GLU B 105 GLU^? 33.36 O3 SO4 B 229 coo 86.19 80.64 132.77 86.38 79.85 132.93 -14.69 2.06 129.94 -14.89 2.75 129.58 coo 84.75 81.24 136.88 85.62 83.14 136.43 -11.19 5.19 128.37 -11.78 3.12 128.47 coo 91.47 83.05 136.24 90.35 81.38 136.84 -18.43 5.03 129.05 -20.50 4.52 128.90 1dub_c15 source 1dub 2-ENOYL-COA HYDRATASE : 5 hits 1dub_c15 naa= 3 ULMN 3 1dub_c16 2-ENOYL-COA HYDRATASE user 1 3 # 1 E 141 GLY A 89 GLY^? 17.01 O1 SO4 A 230 E 144 GLU A 187 GLU^? 15.53 O2 SO4 A 229 E 164 GLU A 87 GLU^? 17.80 O2 SO4 A 229 coo 90.07 81.07 170.50 90.23 80.26 170.38 -4.32 51.99 94.40 -3.98 51.29 94.76 coo 87.05 81.30 167.53 86.38 82.74 168.94 -0.92 50.23 94.11 -1.07 51.49 92.41 coo 84.40 80.02 173.80 85.08 79.06 172.03 -1.36 49.08 88.76 -0.85 50.53 87.31 ULMN 3 1dub_c16 2-ENOYL-COA HYDRATASE user 2 3 # 2 E 141 GLY A 104 GLY^? 29.81 O4 SO4 A 229 E 144 GLU A 105 GLU^? 30.13 O4 SO4 A 229 E 164 GLU A 172 GLU^? 26.58 O4 SO4 A 229 coo 90.07 81.07 170.50 90.23 80.26 170.38 16.55 64.58 117.04 16.86 63.88 116.91 coo 87.05 81.30 167.53 86.38 82.74 168.94 20.63 62.21 117.15 22.45 61.29 117.66 coo 84.40 80.02 173.80 85.08 79.06 172.03 13.47 60.86 115.95 13.70 62.79 115.15 ULMN 3 1dub_c16 2-ENOYL-COA HYDRATASE user 3 3 # 3 E 141 GLY A 104 GLY^? 29.81 O4 SO4 A 229 E 144 GLU A 172 GLU^? 26.58 O4 SO4 A 229 E 164 GLU A 105 GLU^? 30.13 O4 SO4 A 229 coo 90.07 81.07 170.50 90.23 80.26 170.38 16.55 64.58 117.04 16.86 63.88 116.91 coo 87.05 81.30 167.53 86.38 82.74 168.94 13.47 60.86 115.95 13.70 62.79 115.15 coo 84.40 80.02 173.80 85.08 79.06 172.03 20.63 62.21 117.15 22.45 61.29 117.66 ULMN 3 1dub_c16 2-ENOYL-COA HYDRATASE user 4 3 # 4 E 141 GLY B 89 GLY^? 16.96 O1 SO4 B 229 E 144 GLU B 187 GLU^? 15.82 O1 SO4 B 229 E 164 GLU B 87 GLU^? 17.71 O1 SO4 B 229 coo 90.07 81.07 170.50 90.23 80.26 170.38 10.15 9.21 110.31 9.83 9.95 110.22 coo 87.05 81.30 167.53 86.38 82.74 168.94 5.79 8.67 109.77 5.71 6.74 108.88 coo 84.40 80.02 173.80 85.08 79.06 172.03 10.05 8.18 103.44 9.48 6.19 103.45 ULMN 3 1dub_c16 2-ENOYL-COA HYDRATASE user 5 3 # 5 E 141 GLY B 104 GLY^? 32.77 O3 SO4 B 229 E 144 GLU B 105 GLU^? 33.36 O3 SO4 B 229 E 164 GLU B 172 GLU^? 30.08 O3 SO4 B 229 coo 90.07 81.07 170.50 90.23 80.26 170.38 -14.69 2.06 129.94 -14.89 2.75 129.58 coo 87.05 81.30 167.53 86.38 82.74 168.94 -18.43 5.03 129.05 -20.50 4.52 128.90 coo 84.40 80.02 173.80 85.08 79.06 172.03 -11.19 5.19 128.37 -11.78 3.12 128.47 ULMN 3 1dub_c16 2-ENOYL-COA HYDRATASE user 6 3 # 6 E 141 GLY B 104 GLY^? 32.77 O3 SO4 B 229 E 144 GLU B 172 GLU^? 30.08 O3 SO4 B 229 E 164 GLU B 105 GLU^? 33.36 O3 SO4 B 229 coo 90.07 81.07 170.50 90.23 80.26 170.38 -14.69 2.06 129.94 -14.89 2.75 129.58 coo 87.05 81.30 167.53 86.38 82.74 168.94 -11.19 5.19 128.37 -11.78 3.12 128.47 coo 84.40 80.02 173.80 85.08 79.06 172.03 -18.43 5.03 129.05 -20.50 4.52 128.90 1dub_c16 source 1dub 2-ENOYL-COA HYDRATASE : 6 hits 1dub_c16 naa= 3 ULMN 3 1dub_c17 2-ENOYL-COA HYDRATASE user 1 3 # 1 F 141 GLY A 89 GLY^? 17.01 O1 SO4 A 230 F 144 GLU A 187 GLU^? 15.53 O2 SO4 A 229 F 164 GLU A 87 GLU^? 17.80 O2 SO4 A 229 coo 57.12 70.68 155.10 57.52 69.95 155.02 -4.32 51.99 94.40 -3.98 51.29 94.76 coo 60.62 73.13 154.21 59.05 74.26 153.35 -0.92 50.23 94.11 -1.07 51.49 92.41 coo 56.75 71.71 148.46 58.44 71.01 149.54 -1.36 49.08 88.76 -0.85 50.53 87.31 ULMN 3 1dub_c17 2-ENOYL-COA HYDRATASE user 2 3 # 2 F 141 GLY A 104 GLY^? 29.81 O4 SO4 A 229 F 144 GLU A 105 GLU^? 30.13 O4 SO4 A 229 F 164 GLU A 172 GLU^? 26.58 O4 SO4 A 229 coo 57.12 70.68 155.10 57.52 69.95 155.02 16.55 64.58 117.04 16.86 63.88 116.91 coo 60.62 73.13 154.21 59.05 74.26 153.35 20.63 62.21 117.15 22.45 61.29 117.66 coo 56.75 71.71 148.46 58.44 71.01 149.54 13.47 60.86 115.95 13.70 62.79 115.15 ULMN 3 1dub_c17 2-ENOYL-COA HYDRATASE user 3 3 # 3 F 141 GLY A 104 GLY^? 29.81 O4 SO4 A 229 F 144 GLU A 172 GLU^? 26.58 O4 SO4 A 229 F 164 GLU A 105 GLU^? 30.13 O4 SO4 A 229 coo 57.12 70.68 155.10 57.52 69.95 155.02 16.55 64.58 117.04 16.86 63.88 116.91 coo 60.62 73.13 154.21 59.05 74.26 153.35 13.47 60.86 115.95 13.70 62.79 115.15 coo 56.75 71.71 148.46 58.44 71.01 149.54 20.63 62.21 117.15 22.45 61.29 117.66 ULMN 3 1dub_c17 2-ENOYL-COA HYDRATASE user 4 3 # 4 F 141 GLY B 89 GLY^? 16.96 O1 SO4 B 229 F 144 GLU B 187 GLU^? 15.82 O1 SO4 B 229 F 164 GLU B 87 GLU^? 17.71 O1 SO4 B 229 coo 57.12 70.68 155.10 57.52 69.95 155.02 10.15 9.21 110.31 9.83 9.95 110.22 coo 60.62 73.13 154.21 59.05 74.26 153.35 5.79 8.67 109.77 5.71 6.74 108.88 coo 56.75 71.71 148.46 58.44 71.01 149.54 10.05 8.18 103.44 9.48 6.19 103.45 ULMN 3 1dub_c17 2-ENOYL-COA HYDRATASE user 5 3 # 5 F 141 GLY B 104 GLY^? 32.77 O3 SO4 B 229 F 144 GLU B 105 GLU^? 33.36 O3 SO4 B 229 F 164 GLU B 172 GLU^? 30.08 O3 SO4 B 229 coo 57.12 70.68 155.10 57.52 69.95 155.02 -14.69 2.06 129.94 -14.89 2.75 129.58 coo 60.62 73.13 154.21 59.05 74.26 153.35 -18.43 5.03 129.05 -20.50 4.52 128.90 coo 56.75 71.71 148.46 58.44 71.01 149.54 -11.19 5.19 128.37 -11.78 3.12 128.47 ULMN 3 1dub_c17 2-ENOYL-COA HYDRATASE user 6 3 # 6 F 141 GLY B 104 GLY^? 32.77 O3 SO4 B 229 F 144 GLU B 172 GLU^? 30.08 O3 SO4 B 229 F 164 GLU B 105 GLU^? 33.36 O3 SO4 B 229 coo 57.12 70.68 155.10 57.52 69.95 155.02 -14.69 2.06 129.94 -14.89 2.75 129.58 coo 60.62 73.13 154.21 59.05 74.26 153.35 -11.19 5.19 128.37 -11.78 3.12 128.47 coo 56.75 71.71 148.46 58.44 71.01 149.54 -18.43 5.03 129.05 -20.50 4.52 128.90 1dub_c17 source 1dub 2-ENOYL-COA HYDRATASE : 6 hits 1dub_c17 naa= 3 ULMN 3 1e3v_c02 STEROID DELTA-ISOMERASE user 1 3 # 1 A 16 TYR A 63 TYR^? 12.02 O3 SO4 A 229 A 40 ASP A 196 ASP^? 13.16 O4 SO4 A 231 A 103 ASP A 64 ASP^? 16.48 O4 SO4 A 231 coo 3.86 -20.80 85.74 4.58 -18.11 85.73 4.07 31.35 91.04 5.31 30.23 93.28 coo 8.98 -11.19 82.60 6.87 -11.00 82.49 1.09 35.34 80.24 -0.14 33.75 80.95 coo 5.15 -17.92 79.35 5.03 -16.26 80.65 -0.89 32.13 86.35 -1.06 30.06 86.04 ULMN 3 1e3v_c02 STEROID DELTA-ISOMERASE user 2 3 # 2 A 16 TYR A 197 TYR^? 14.15 O4 SO4 A 231 A 40 ASP A 64 ASP^? 16.48 O4 SO4 A 231 A 103 ASP A 196 ASP^? 13.16 O4 SO4 A 231 coo 3.86 -20.80 85.74 4.58 -18.11 85.73 -1.41 38.26 74.93 0.62 39.74 73.63 coo 8.98 -11.19 82.60 6.87 -11.00 82.49 -0.89 32.13 86.35 -1.06 30.06 86.04 coo 5.15 -17.92 79.35 5.03 -16.26 80.65 1.09 35.34 80.24 -0.14 33.75 80.95 ULMN 3 1e3v_c02 STEROID DELTA-ISOMERASE user 3 3 # 3 A 16 TYR B 63 TYR^? 12.59 O4 SO4 B 229 A 40 ASP B 196 ASP^? 21.51 O1 SO4 B 229 A 103 ASP B 64 ASP^? 18.27 O3 SO4 A 231 coo 3.86 -20.80 85.74 4.58 -18.11 85.73 6.08 23.92 93.84 4.01 25.72 94.40 coo 8.98 -11.19 82.60 6.87 -11.00 82.49 12.23 15.64 88.97 13.40 17.43 88.99 coo 5.15 -17.92 79.35 5.03 -16.26 80.65 12.23 21.46 92.76 12.58 23.03 91.40 ULMN 3 1e3v_c02 STEROID DELTA-ISOMERASE user 4 3 # 4 A 16 TYR B 141 TYR^? 18.84 O3 SO4 B 229 A 40 ASP B 120 ASP^? 8.68 O3 SO4 B 229 A 103 ASP B 115 ASP^? 13.85 O3 SO4 B 229 coo 3.86 -20.80 85.74 4.58 -18.11 85.73 -9.09 19.42 122.99 -7.89 17.76 124.89 coo 8.98 -11.19 82.60 6.87 -11.00 82.49 -4.32 17.92 112.37 -3.28 16.49 113.53 coo 5.15 -17.92 79.35 5.03 -16.26 80.65 -12.10 21.41 116.25 -11.91 23.51 116.16 ULMN 3 1e3v_c02 STEROID DELTA-ISOMERASE user 5 3 # 5 A 16 TYR B 197 TYR^? 27.50 O1 SO4 B 229 A 40 ASP B 64 ASP^? 18.27 O3 SO4 A 231 A 103 ASP B 196 ASP^? 21.51 O1 SO4 B 229 coo 3.86 -20.80 85.74 4.58 -18.11 85.73 17.53 10.39 88.21 19.44 8.55 89.12 coo 8.98 -11.19 82.60 6.87 -11.00 82.49 12.23 21.46 92.76 12.58 23.03 91.40 coo 5.15 -17.92 79.35 5.03 -16.26 80.65 12.23 15.64 88.97 13.40 17.43 88.99 1e3v_c02 source 1e3v STEROID DELTA-ISOMERASE : 5 hits 1e3v_c02 naa= 3 ULMN 3 1e3v_c03 STEROID DELTA-ISOMERASE user 1 3 # 1 B 16 TYR A 63 TYR^? 12.02 O3 SO4 A 229 B 40 ASP A 196 ASP^? 13.16 O4 SO4 A 231 B 103 ASP A 64 ASP^? 16.48 O4 SO4 A 231 coo 4.95 -16.38 58.56 5.78 -19.05 58.68 4.07 31.35 91.04 5.31 30.23 93.28 coo 9.81 -26.10 62.11 7.73 -26.45 62.06 1.09 35.34 80.24 -0.14 33.75 80.95 coo 5.71 -19.27 64.99 5.64 -20.90 63.63 -0.89 32.13 86.35 -1.06 30.06 86.04 ULMN 3 1e3v_c03 STEROID DELTA-ISOMERASE user 2 3 # 2 B 16 TYR A 197 TYR^? 14.15 O4 SO4 A 231 B 40 ASP A 64 ASP^? 16.48 O4 SO4 A 231 B 103 ASP A 196 ASP^? 13.16 O4 SO4 A 231 coo 4.95 -16.38 58.56 5.78 -19.05 58.68 -1.41 38.26 74.93 0.62 39.74 73.63 coo 9.81 -26.10 62.11 7.73 -26.45 62.06 -0.89 32.13 86.35 -1.06 30.06 86.04 coo 5.71 -19.27 64.99 5.64 -20.90 63.63 1.09 35.34 80.24 -0.14 33.75 80.95 ULMN 3 1e3v_c03 STEROID DELTA-ISOMERASE user 3 3 # 3 B 16 TYR B 63 TYR^? 12.59 O4 SO4 B 229 B 40 ASP B 196 ASP^? 21.51 O1 SO4 B 229 B 103 ASP B 64 ASP^? 18.27 O3 SO4 A 231 coo 4.95 -16.38 58.56 5.78 -19.05 58.68 6.08 23.92 93.84 4.01 25.72 94.40 coo 9.81 -26.10 62.11 7.73 -26.45 62.06 12.23 15.64 88.97 13.40 17.43 88.99 coo 5.71 -19.27 64.99 5.64 -20.90 63.63 12.23 21.46 92.76 12.58 23.03 91.40 ULMN 3 1e3v_c03 STEROID DELTA-ISOMERASE user 4 3 # 4 B 16 TYR B 141 TYR^? 18.84 O3 SO4 B 229 B 40 ASP B 120 ASP^? 8.68 O3 SO4 B 229 B 103 ASP B 115 ASP^? 13.85 O3 SO4 B 229 coo 4.95 -16.38 58.56 5.78 -19.05 58.68 -9.09 19.42 122.99 -7.89 17.76 124.89 coo 9.81 -26.10 62.11 7.73 -26.45 62.06 -4.32 17.92 112.37 -3.28 16.49 113.53 coo 5.71 -19.27 64.99 5.64 -20.90 63.63 -12.10 21.41 116.25 -11.91 23.51 116.16 ULMN 3 1e3v_c03 STEROID DELTA-ISOMERASE user 5 3 # 5 B 16 TYR B 141 TYR^? 18.84 O3 SO4 B 229 B 40 ASP B 138 ASP^? 17.24 O3 SO4 B 229 B 103 ASP B 115 ASP^? 13.85 O3 SO4 B 229 coo 4.95 -16.38 58.56 5.78 -19.05 58.68 -9.09 19.42 122.99 -7.89 17.76 124.89 coo 9.81 -26.10 62.11 7.73 -26.45 62.06 -19.34 21.74 114.74 -17.84 23.07 113.94 coo 5.71 -19.27 64.99 5.64 -20.90 63.63 -12.10 21.41 116.25 -11.91 23.51 116.16 ULMN 3 1e3v_c03 STEROID DELTA-ISOMERASE user 6 3 # 6 B 16 TYR B 197 TYR^? 27.50 O1 SO4 B 229 B 40 ASP B 64 ASP^? 18.27 O3 SO4 A 231 B 103 ASP B 196 ASP^? 21.51 O1 SO4 B 229 coo 4.95 -16.38 58.56 5.78 -19.05 58.68 17.53 10.39 88.21 19.44 8.55 89.12 coo 9.81 -26.10 62.11 7.73 -26.45 62.06 12.23 21.46 92.76 12.58 23.03 91.40 coo 5.71 -19.27 64.99 5.64 -20.90 63.63 12.23 15.64 88.97 13.40 17.43 88.99 1e3v_c03 source 1e3v STEROID DELTA-ISOMERASE : 6 hits 1e3v_c03 naa= 3 ULMN 3 1e7q_c01 GDP-FUCOSE SYNTHETASE user 1 3 # 1 A 107 ALA A 31 ALA^? 12.33 O3 SO4 A 230 A 136 TYR A 45 TYR^? 12.83 O3 SO4 A 229 A 140 LYS A 35 LYS^? 11.43 O2 SO4 A 230 coo 55.90 7.49 23.83 56.71 8.23 22.76 -5.97 37.85 99.42 -5.18 37.00 100.43 coo 59.38 10.02 17.51 59.95 9.89 20.21 -3.49 33.26 97.33 -5.14 35.38 96.58 coo 59.52 3.69 18.67 62.31 6.19 22.58 -9.76 35.16 95.20 -10.16 29.64 98.57 ULMN 3 1e7q_c01 GDP-FUCOSE SYNTHETASE user 2 3 # 2 A 107 ALA B 31 ALA^? 12.64 O4 SO4 B 229 A 136 TYR B 45 TYR^? 13.10 O4 SO4 B 229 A 140 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo 55.90 7.49 23.83 56.71 8.23 22.76 10.97 23.81 107.56 9.99 24.95 107.47 coo 59.38 10.02 17.51 59.95 9.89 20.21 10.04 26.44 102.60 11.44 24.36 103.85 coo 59.52 3.69 18.67 62.31 6.19 22.58 16.47 24.53 104.57 15.75 30.78 103.34 1e7q_c01 source 1e7q GDP-FUCOSE SYNTHETASE : 2 hits 1e7q_c01 naa= 3 ULMN 3 1eag_c04 PEPTIDE INHIBITOR user 1 3 # 1 A 32 ASP A 2 ASP~? 14.67 O2 SO4 A 230 A 35 SER A -2 SER~? 12.73 O2 SO4 A 230 A 218 ASP A 39 ASP^? 5.87 O2 SO4 A 230 coo 47.22 22.34 8.57 45.16 22.02 9.13 -20.15 34.72 83.71 -22.03 35.03 82.80 coo 43.58 20.85 5.15 44.62 23.01 5.76 -23.89 33.29 87.49 -25.22 35.21 86.74 coo 44.05 16.99 12.67 44.05 18.89 11.74 -16.67 33.15 92.05 -17.20 32.80 93.99 ULMN 3 1eag_c04 PEPTIDE INHIBITOR user 2 3 # 2 A 32 ASP A 115 ASP^? 8.58 O1 SO4 A 229 A 35 SER A 140 SER^? 13.33 O1 SO4 A 229 A 218 ASP A 138 ASP^? 13.32 O1 SO4 A 229 coo 47.22 22.34 8.57 45.16 22.02 9.13 15.77 43.56 105.82 15.72 41.47 106.14 coo 43.58 20.85 5.15 44.62 23.01 5.76 16.67 42.99 109.88 16.46 41.74 111.93 coo 44.05 16.99 12.67 44.05 18.89 11.74 23.15 43.17 105.53 21.70 41.96 104.55 ULMN 3 1eag_c04 PEPTIDE INHIBITOR user 3 3 # 3 A 32 ASP B 115 ASP^? 13.85 O3 SO4 B 229 A 35 SER B 140 SER^? 18.74 O3 SO4 B 229 A 218 ASP B 138 ASP^? 17.24 O3 SO4 B 229 coo 47.22 22.34 8.57 45.16 22.02 9.13 -12.10 21.41 116.25 -11.91 23.51 116.16 coo 43.58 20.85 5.15 44.62 23.01 5.76 -13.55 22.77 120.12 -12.47 24.15 121.85 coo 44.05 16.99 12.67 44.05 18.89 11.74 -19.34 21.74 114.74 -17.84 23.07 113.94 1eag_c04 source 1eag PEPTIDE INHIBITOR : 3 hits 1eag_c04 naa= 3 ULMN 3 1ecf_c00 GLUTAMINE PHOSPHORIBOSYLPYROPHOSPHATuser 1 3 # 1 A 1 CYH A 57 CYH^? 11.87 O3 SO4 A 229 A 101 ASN A 60 ASN^? 8.61 O3 SO4 A 231 A 102 GLY A 61 GLY^? 10.88 O4 SO4 A 231 coo 71.16 56.96 42.22 68.62 58.09 42.46 9.42 32.30 89.74 9.90 31.16 92.16 coo 72.93 61.40 42.14 73.34 60.57 44.12 11.24 30.46 86.13 13.17 31.33 86.46 coo 70.24 64.11 45.02 69.59 63.75 44.65 6.83 29.99 84.43 7.11 29.96 85.20 ULMN 3 1ecf_c00 GLUTAMINE PHOSPHORIBOSYLPYROPHOSPHATuser 2 3 # 2 A 1 CYH B 57 CYH^? 12.18 O4 SO4 B 229 A 101 ASN B 60 ASN^? 17.59 O1 SO4 B 229 A 102 GLY B 61 GLY^? 18.77 O1 SO4 B 229 coo 71.16 56.96 42.22 68.62 58.09 42.46 1.42 21.45 91.40 -0.02 23.70 92.33 coo 72.93 61.40 42.14 73.34 60.57 44.12 1.10 20.85 87.08 -0.88 20.02 86.80 coo 70.24 64.11 45.02 69.59 63.75 44.65 5.86 21.10 87.10 5.33 21.40 87.62 1ecf_c00 source 1ecf GLUTAMINE PHOSPHORIBOSYLPYROPHOSPHATE AMIDOTRA: 2 hits 1ecf_c00 naa= 3 ULMN 3 1ecf_c01 GLUTAMINE PHOSPHORIBOSYLPYROPHOSPHATuser 1 3 # 1 B 1 CYH A 57 CYH^? 11.87 O3 SO4 A 229 B 101 ASN A 60 ASN^? 8.61 O3 SO4 A 231 B 102 GLY A 61 GLY^? 10.88 O4 SO4 A 231 coo 75.18 21.70 37.98 75.10 20.53 35.34 9.42 32.30 89.74 9.90 31.16 92.16 coo 75.17 17.26 39.63 77.17 18.02 39.88 11.24 30.46 86.13 13.17 31.33 86.46 coo 77.89 14.61 36.82 77.45 14.93 36.19 6.83 29.99 84.43 7.11 29.96 85.20 ULMN 3 1ecf_c01 GLUTAMINE PHOSPHORIBOSYLPYROPHOSPHATuser 2 3 # 2 B 1 CYH B 57 CYH^? 12.18 O4 SO4 B 229 B 101 ASN B 60 ASN^? 17.59 O1 SO4 B 229 B 102 GLY B 61 GLY^? 18.77 O1 SO4 B 229 coo 75.18 21.70 37.98 75.10 20.53 35.34 1.42 21.45 91.40 -0.02 23.70 92.33 coo 75.17 17.26 39.63 77.17 18.02 39.88 1.10 20.85 87.08 -0.88 20.02 86.80 coo 77.89 14.61 36.82 77.45 14.93 36.19 5.86 21.10 87.10 5.33 21.40 87.62 1ecf_c01 source 1ecf GLUTAMINE PHOSPHORIBOSYLPYROPHOSPHATE AMIDOTRA: 2 hits 1ecf_c01 naa= 3 ULMN 3 1eed_c04 ENDOTHIAPEPSIN (E.C.3.4.23.22) COMPLuser 1 3 # 1 P 32 ASP A 2 ASP~? 14.67 O2 SO4 A 230 P 35 SER A -2 SER~? 12.73 O2 SO4 A 230 P 215 ASP A 39 ASP^? 5.87 O2 SO4 A 230 coo 10.15 33.41 11.98 7.98 33.66 12.07 -20.15 34.72 83.71 -22.03 35.03 82.80 coo 7.57 37.60 10.00 8.86 37.02 12.03 -23.89 33.29 87.49 -25.22 35.21 86.74 coo 4.04 29.97 8.82 4.78 31.15 10.46 -16.67 33.15 92.05 -17.20 32.80 93.99 ULMN 3 1eed_c04 ENDOTHIAPEPSIN (E.C.3.4.23.22) COMPLuser 2 3 # 2 P 32 ASP A 115 ASP^? 8.58 O1 SO4 A 229 P 35 SER A 140 SER^? 13.33 O1 SO4 A 229 P 215 ASP A 138 ASP^? 13.32 O1 SO4 A 229 coo 10.15 33.41 11.98 7.98 33.66 12.07 15.77 43.56 105.82 15.72 41.47 106.14 coo 7.57 37.60 10.00 8.86 37.02 12.03 16.67 42.99 109.88 16.46 41.74 111.93 coo 4.04 29.97 8.82 4.78 31.15 10.46 23.15 43.17 105.53 21.70 41.96 104.55 ULMN 3 1eed_c04 ENDOTHIAPEPSIN (E.C.3.4.23.22) COMPLuser 3 3 # 3 P 32 ASP B 115 ASP^? 13.85 O3 SO4 B 229 P 35 SER B 140 SER^? 18.74 O3 SO4 B 229 P 215 ASP B 138 ASP^? 17.24 O3 SO4 B 229 coo 10.15 33.41 11.98 7.98 33.66 12.07 -12.10 21.41 116.25 -11.91 23.51 116.16 coo 7.57 37.60 10.00 8.86 37.02 12.03 -13.55 22.77 120.12 -12.47 24.15 121.85 coo 4.04 29.97 8.82 4.78 31.15 10.46 -19.34 21.74 114.74 -17.84 23.07 113.94 1eed_c04 source 1eed ENDOTHIAPEPSIN (E.C.3.4.23.22) COMPLEX WITH TH: 3 hits 1eed_c04 naa= 3 ULMN 3 1ef8_c00 METHYLMALONYL COA DECARBOXYLASE user 1 3 # 1 A 66 HIS B 91 HIS^? 17.45 O3 SO4 B 229 A 110 GLY B 95 GLY^? 13.84 O3 SO4 B 229 A 140 TYR B 93 TYR^? -6.26 O1 SO4 B 229s coo 24.53 0.12 1.91 23.47 1.90 2.27 5.92 11.10 116.67 5.40 9.21 117.42 coo 22.96 1.26 5.85 23.32 1.32 6.60 2.66 14.51 117.22 2.05 14.37 116.70 coo 21.28 7.32 1.28 21.07 5.14 3.02 3.42 16.10 108.71 2.04 17.62 106.85 1ef8_c00 source 1ef8 METHYLMALONYL COA DECARBOXYLASE : 1 hits 1ef8_c00 naa= 3 ULMN 3 1ef8_c01 METHYLMALONYL COA DECARBOXYLASE user 1 3 # 1 B 66 HIS A 215 HIS^? -3.69 O3 SO4 A 230s B 110 GLY A 29 GLY^? 9.91 O3 SO4 A 230 B 140 TYR A 228 TYR^? 12.29 O4 SO4 B 229 coo 15.25 42.02 9.50 15.08 40.17 8.54 -13.92 40.67 99.66 -13.69 38.69 100.32 coo 16.54 37.86 10.86 17.07 37.78 11.48 -8.36 41.25 102.79 -7.69 40.99 102.42 coo 8.70 35.97 10.91 11.44 36.02 10.35 -6.50 33.95 102.32 -5.45 34.14 104.92 ULMN 3 1ef8_c01 METHYLMALONYL COA DECARBOXYLASE user 2 3 # 2 B 66 HIS A 215 HIS^? -3.69 O3 SO4 A 230s B 110 GLY A 33 GLY^? 6.05 O3 SO4 A 230 B 140 TYR A 228 TYR^? 12.29 O4 SO4 B 229 coo 15.25 42.02 9.50 15.08 40.17 8.54 -13.92 40.67 99.66 -13.69 38.69 100.32 coo 16.54 37.86 10.86 17.07 37.78 11.48 -10.92 40.03 97.83 -10.38 39.42 97.65 coo 8.70 35.97 10.91 11.44 36.02 10.35 -6.50 33.95 102.32 -5.45 34.14 104.92 ULMN 3 1ef8_c01 METHYLMALONYL COA DECARBOXYLASE user 3 3 # 3 B 66 HIS B 91 HIS^? 17.45 O3 SO4 B 229 B 110 GLY B 95 GLY^? 13.84 O3 SO4 B 229 B 140 TYR B 93 TYR^? -6.26 O1 SO4 B 229s coo 15.25 42.02 9.50 15.08 40.17 8.54 5.92 11.10 116.67 5.40 9.21 117.42 coo 16.54 37.86 10.86 17.07 37.78 11.48 2.66 14.51 117.22 2.05 14.37 116.70 coo 8.70 35.97 10.91 11.44 36.02 10.35 3.42 16.10 108.71 2.04 17.62 106.85 ULMN 3 1ef8_c01 METHYLMALONYL COA DECARBOXYLASE user 4 3 # 4 B 66 HIS B 215 HIS^? 20.82 O1 SO4 B 229 B 110 GLY B 29 GLY^? 15.41 O3 SO4 B 229 B 140 TYR B 228 TYR^? 12.23 O3 SO4 A 229 coo 15.25 42.02 9.50 15.08 40.17 8.54 17.61 22.77 112.56 17.48 24.80 112.05 coo 16.54 37.86 10.86 17.07 37.78 11.48 11.30 23.21 112.72 10.85 23.02 112.05 coo 8.70 35.97 10.91 11.44 36.02 10.35 10.57 28.77 107.84 8.55 29.75 109.51 ULMN 3 1ef8_c01 METHYLMALONYL COA DECARBOXYLASE user 5 3 # 5 B 66 HIS B 215 HIS^? 20.82 O1 SO4 B 229 B 110 GLY B 33 GLY^? 17.96 O1 SO4 B 229 B 140 TYR B 228 TYR^? 12.23 O3 SO4 A 229 coo 15.25 42.02 9.50 15.08 40.17 8.54 17.61 22.77 112.56 17.48 24.80 112.05 coo 16.54 37.86 10.86 17.07 37.78 11.48 15.72 22.10 109.54 15.48 22.46 108.84 coo 8.70 35.97 10.91 11.44 36.02 10.35 10.57 28.77 107.84 8.55 29.75 109.51 1ef8_c01 source 1ef8 METHYLMALONYL COA DECARBOXYLASE : 5 hits 1ef8_c01 naa= 3 ULMN 3 1ef8_c02 METHYLMALONYL COA DECARBOXYLASE user 1 3 # 1 C 66 HIS A 91 HIS^? 17.38 O4 SO4 A 229 C 110 GLY A 95 GLY^? 12.39 O4 SO4 A 229 C 140 TYR A 93 TYR^? 6.38 O2 SO4 A 229 coo -9.82 10.01 28.41 -9.17 11.02 26.71 -3.47 53.98 101.75 -2.43 55.80 101.90 coo -5.73 12.49 27.77 -5.15 12.61 28.37 0.86 50.72 105.80 1.49 50.48 105.32 coo -4.68 8.05 21.05 -4.91 10.19 22.84 1.20 45.36 98.99 3.01 43.25 98.50 ULMN 3 1ef8_c02 METHYLMALONYL COA DECARBOXYLASE user 2 3 # 2 C 66 HIS A 97 HIS^? 10.66 O4 SO4 A 229 C 110 GLY A 95 GLY^? 12.39 O4 SO4 A 229 C 140 TYR A 93 TYR^? 6.38 O2 SO4 A 229 coo -9.82 10.01 28.41 -9.17 11.02 26.71 7.24 52.04 104.47 6.71 50.18 103.67 coo -5.73 12.49 27.77 -5.15 12.61 28.37 0.86 50.72 105.80 1.49 50.48 105.32 coo -4.68 8.05 21.05 -4.91 10.19 22.84 1.20 45.36 98.99 3.01 43.25 98.50 ULMN 3 1ef8_c02 METHYLMALONYL COA DECARBOXYLASE user 3 3 # 3 C 66 HIS A 215 HIS^? -3.69 O3 SO4 A 230s C 110 GLY A 29 GLY^? 9.91 O3 SO4 A 230 C 140 TYR A 228 TYR^? 12.29 O4 SO4 B 229 coo -9.82 10.01 28.41 -9.17 11.02 26.71 -13.92 40.67 99.66 -13.69 38.69 100.32 coo -5.73 12.49 27.77 -5.15 12.61 28.37 -8.36 41.25 102.79 -7.69 40.99 102.42 coo -4.68 8.05 21.05 -4.91 10.19 22.84 -6.50 33.95 102.32 -5.45 34.14 104.92 ULMN 3 1ef8_c02 METHYLMALONYL COA DECARBOXYLASE user 4 3 # 4 C 66 HIS A 215 HIS^? -3.69 O3 SO4 A 230s C 110 GLY A 33 GLY^? 6.05 O3 SO4 A 230 C 140 TYR A 228 TYR^? 12.29 O4 SO4 B 229 coo -9.82 10.01 28.41 -9.17 11.02 26.71 -13.92 40.67 99.66 -13.69 38.69 100.32 coo -5.73 12.49 27.77 -5.15 12.61 28.37 -10.92 40.03 97.83 -10.38 39.42 97.65 coo -4.68 8.05 21.05 -4.91 10.19 22.84 -6.50 33.95 102.32 -5.45 34.14 104.92 ULMN 3 1ef8_c02 METHYLMALONYL COA DECARBOXYLASE user 5 3 # 5 C 66 HIS B 91 HIS^? 17.45 O3 SO4 B 229 C 110 GLY B 95 GLY^? 13.84 O3 SO4 B 229 C 140 TYR B 93 TYR^? -6.26 O1 SO4 B 229s coo -9.82 10.01 28.41 -9.17 11.02 26.71 5.92 11.10 116.67 5.40 9.21 117.42 coo -5.73 12.49 27.77 -5.15 12.61 28.37 2.66 14.51 117.22 2.05 14.37 116.70 coo -4.68 8.05 21.05 -4.91 10.19 22.84 3.42 16.10 108.71 2.04 17.62 106.85 ULMN 3 1ef8_c02 METHYLMALONYL COA DECARBOXYLASE user 6 3 # 6 C 66 HIS B 97 HIS^? 12.49 O3 SO4 B 229 C 110 GLY B 95 GLY^? 13.84 O3 SO4 B 229 C 140 TYR B 93 TYR^? -6.26 O1 SO4 B 229s coo -9.82 10.01 28.41 -9.17 11.02 26.71 -3.31 12.76 116.75 -2.66 14.35 115.55 coo -5.73 12.49 27.77 -5.15 12.61 28.37 2.66 14.51 117.22 2.05 14.37 116.70 coo -4.68 8.05 21.05 -4.91 10.19 22.84 3.42 16.10 108.71 2.04 17.62 106.85 ULMN 3 1ef8_c02 METHYLMALONYL COA DECARBOXYLASE user 7 3 # 7 C 66 HIS B 215 HIS^? 20.82 O1 SO4 B 229 C 110 GLY B 29 GLY^? 15.41 O3 SO4 B 229 C 140 TYR B 228 TYR^? 12.23 O3 SO4 A 229 coo -9.82 10.01 28.41 -9.17 11.02 26.71 17.61 22.77 112.56 17.48 24.80 112.05 coo -5.73 12.49 27.77 -5.15 12.61 28.37 11.30 23.21 112.72 10.85 23.02 112.05 coo -4.68 8.05 21.05 -4.91 10.19 22.84 10.57 28.77 107.84 8.55 29.75 109.51 ULMN 3 1ef8_c02 METHYLMALONYL COA DECARBOXYLASE user 8 3 # 8 C 66 HIS B 215 HIS^? 20.82 O1 SO4 B 229 C 110 GLY B 33 GLY^? 17.96 O1 SO4 B 229 C 140 TYR B 228 TYR^? 12.23 O3 SO4 A 229 coo -9.82 10.01 28.41 -9.17 11.02 26.71 17.61 22.77 112.56 17.48 24.80 112.05 coo -5.73 12.49 27.77 -5.15 12.61 28.37 15.72 22.10 109.54 15.48 22.46 108.84 coo -4.68 8.05 21.05 -4.91 10.19 22.84 10.57 28.77 107.84 8.55 29.75 109.51 1ef8_c02 source 1ef8 METHYLMALONYL COA DECARBOXYLASE : 8 hits 1ef8_c02 naa= 3 ULMN 3 1ehy_c01 SOLUBLE EPOXIDE HYDROLASE user 1 3 # 1 B 107 ASP B 120 ASP^? 8.68 O3 SO4 B 229 B 246 ASP B 178 ASP^? 25.38 O3 SO4 B 229 B 275 HIS B 97 HIS^? 12.49 O3 SO4 B 229 coo 34.84 56.77 81.62 34.95 54.74 82.03 -4.32 17.92 112.37 -3.28 16.49 113.53 coo 43.18 49.30 68.39 44.75 49.87 69.78 -4.63 -0.65 116.57 -5.43 -2.30 115.50 coo 38.73 55.10 77.62 36.80 55.01 78.46 -3.31 12.76 116.75 -2.66 14.35 115.55 ULMN 3 1ehy_c01 SOLUBLE EPOXIDE HYDROLASE user 2 3 # 2 B 107 ASP B 120 ASP^? 8.68 O3 SO4 B 229 B 246 ASP B 179 ASP^? 19.53 O1 SO4 B 229 B 275 HIS B 97 HIS^? 12.49 O3 SO4 B 229 coo 34.84 56.77 81.62 34.95 54.74 82.03 -4.32 17.92 112.37 -3.28 16.49 113.53 coo 43.18 49.30 68.39 44.75 49.87 69.78 -5.05 2.01 112.29 -5.62 2.01 110.23 coo 38.73 55.10 77.62 36.80 55.01 78.46 -3.31 12.76 116.75 -2.66 14.35 115.55 1ehy_c01 source 1ehy SOLUBLE EPOXIDE HYDROLASE : 2 hits 1ehy_c01 naa= 3 ULMN 3 1ehy_c02 SOLUBLE EPOXIDE HYDROLASE user 1 3 # 1 C 107 ASP A 120 ASP^? 7.17 O2 SO4 A 229 C 246 ASP A 178 ASP^? 26.16 O4 SO4 A 229 C 275 HIS A 97 HIS^? 10.66 O4 SO4 A 229 coo 1.90 35.26 72.76 3.20 35.74 71.18 9.29 47.78 99.49 7.80 47.36 98.01 coo 12.03 20.33 71.56 10.48 19.25 70.56 7.84 65.02 98.85 7.73 66.72 100.09 coo 3.92 29.96 71.75 4.22 31.96 72.31 7.24 52.04 104.47 6.71 50.18 103.67 ULMN 3 1ehy_c02 SOLUBLE EPOXIDE HYDROLASE user 2 3 # 2 C 107 ASP B 120 ASP^? 8.68 O3 SO4 B 229 C 246 ASP B 178 ASP^? 25.38 O3 SO4 B 229 C 275 HIS B 97 HIS^? 12.49 O3 SO4 B 229 coo 1.90 35.26 72.76 3.20 35.74 71.18 -4.32 17.92 112.37 -3.28 16.49 113.53 coo 12.03 20.33 71.56 10.48 19.25 70.56 -4.63 -0.65 116.57 -5.43 -2.30 115.50 coo 3.92 29.96 71.75 4.22 31.96 72.31 -3.31 12.76 116.75 -2.66 14.35 115.55 1ehy_c02 source 1ehy SOLUBLE EPOXIDE HYDROLASE : 2 hits 1ehy_c02 naa= 3 ULMN 3 1ehy_c03 SOLUBLE EPOXIDE HYDROLASE user 1 3 # 1 D 107 ASP B 120 ASP^? 8.68 O3 SO4 B 229 D 246 ASP B 179 ASP^? 19.53 O1 SO4 B 229 D 275 HIS B 97 HIS^? 12.49 O3 SO4 B 229 coo 37.41 19.89 81.58 37.64 21.98 81.53 -4.32 17.92 112.37 -3.28 16.49 113.53 coo 23.50 26.43 88.52 24.76 26.47 90.29 -5.05 2.01 112.29 -5.62 2.01 110.23 coo 33.16 21.44 85.29 34.07 21.53 83.40 -3.31 12.76 116.75 -2.66 14.35 115.55 1ehy_c03 source 1ehy SOLUBLE EPOXIDE HYDROLASE : 1 hits 1ehy_c03 naa= 3 ULMN 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 1 3 # 1 A 229 ALA A 18 ALA^? 9.18 O3 SO4 A 229 A 257 ALA A 46 ALA^? 11.21 O3 SO4 A 229 A 328 ASP A 64 ASP^? 16.48 O4 SO4 A 231 coo 39.84 24.12 8.44 38.50 24.23 9.11 2.23 34.08 94.39 3.68 33.97 93.84 coo 43.22 26.73 5.37 41.81 27.09 5.79 1.33 30.18 96.93 2.21 29.93 95.73 coo 38.17 34.10 6.67 37.72 32.06 6.84 -0.89 32.13 86.35 -1.06 30.06 86.04 ULMN 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 2 3 # 2 A 229 ALA A 18 ALA^? 9.18 O3 SO4 A 229 A 257 ALA A 66 ALA^? 9.50 O2 SO4 A 229 A 328 ASP A 64 ASP^? 16.48 O4 SO4 A 231 coo 39.84 24.12 8.44 38.50 24.23 9.11 2.23 34.08 94.39 3.68 33.97 93.84 coo 43.22 26.73 5.37 41.81 27.09 5.79 2.50 37.44 91.38 3.99 37.46 91.13 coo 38.17 34.10 6.67 37.72 32.06 6.84 -0.89 32.13 86.35 -1.06 30.06 86.04 ULMN 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 3 3 # 3 A 229 ALA A 46 ALA^? 11.21 O3 SO4 A 229 A 257 ALA A 18 ALA^? 9.18 O3 SO4 A 229 A 328 ASP A 64 ASP^? 16.48 O4 SO4 A 231 coo 39.84 24.12 8.44 38.50 24.23 9.11 1.33 30.18 96.93 2.21 29.93 95.73 coo 43.22 26.73 5.37 41.81 27.09 5.79 2.23 34.08 94.39 3.68 33.97 93.84 coo 38.17 34.10 6.67 37.72 32.06 6.84 -0.89 32.13 86.35 -1.06 30.06 86.04 ULMN 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 4 3 # 4 A 229 ALA A 51 ALA^? -4.08 O2 SO4 A 229s A 257 ALA A 119 ALA^? 6.49 O1 SO4 A 229 A 328 ASP A 115 ASP^? 8.58 O1 SO4 A 229 coo 39.84 24.12 8.44 38.50 24.23 9.11 9.12 39.93 96.18 9.00 41.44 96.17 coo 43.22 26.73 5.37 41.81 27.09 5.79 12.71 44.68 97.88 11.85 44.01 96.83 coo 38.17 34.10 6.67 37.72 32.06 6.84 15.77 43.56 105.82 15.72 41.47 106.14 ULMN 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 5 3 # 5 A 229 ALA A 72 ALA^? 7.90 O2 SO4 A 229 A 257 ALA A 73 ALA^? 11.43 O2 SO4 A 229 A 328 ASP A 52 ASP^? 8.69 O1 SO4 A 229 coo 39.84 24.12 8.44 38.50 24.23 9.11 8.78 47.14 93.27 8.62 45.88 94.13 coo 43.22 26.73 5.37 41.81 27.09 5.79 6.77 46.41 90.13 5.23 46.35 90.03 coo 38.17 34.10 6.67 37.72 32.06 6.84 13.74 39.26 94.65 14.56 41.23 94.45 ULMN 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 6 3 # 6 A 229 ALA A 72 ALA^? 7.90 O2 SO4 A 229 A 257 ALA A 119 ALA^? 6.49 O1 SO4 A 229 A 328 ASP A 126 ASP^? 16.24 O1 SO4 A 229 coo 39.84 24.12 8.44 38.50 24.23 9.11 8.78 47.14 93.27 8.62 45.88 94.13 coo 43.22 26.73 5.37 41.81 27.09 5.79 12.71 44.68 97.88 11.85 44.01 96.83 coo 38.17 34.10 6.67 37.72 32.06 6.84 18.12 53.54 96.53 19.31 51.77 96.80 ULMN 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 7 3 # 7 A 229 ALA A 73 ALA^? 11.43 O2 SO4 A 229 A 257 ALA A 72 ALA^? 7.90 O2 SO4 A 229 A 328 ASP A 52 ASP^? 8.69 O1 SO4 A 229 coo 39.84 24.12 8.44 38.50 24.23 9.11 6.77 46.41 90.13 5.23 46.35 90.03 coo 43.22 26.73 5.37 41.81 27.09 5.79 8.78 47.14 93.27 8.62 45.88 94.13 coo 38.17 34.10 6.67 37.72 32.06 6.84 13.74 39.26 94.65 14.56 41.23 94.45 ULMN 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 8 3 # 8 A 229 ALA B 18 ALA^? 9.68 O4 SO4 B 229 A 257 ALA B 46 ALA^? 11.39 O3 SO4 A 229 A 328 ASP B 64 ASP^? 18.27 O3 SO4 A 231 coo 39.84 24.12 8.44 38.50 24.23 9.11 5.95 23.37 98.61 4.96 22.83 97.55 coo 43.22 26.73 5.37 41.81 27.09 5.79 6.12 28.16 98.75 5.87 27.81 97.34 coo 38.17 34.10 6.67 37.72 32.06 6.84 12.23 21.46 92.76 12.58 23.03 91.40 ULMN 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 9 3 # 9 A 229 ALA B 18 ALA^? 9.68 O4 SO4 B 229 A 257 ALA B 66 ALA^? 9.72 O1 SO4 B 229 A 328 ASP B 64 ASP^? 18.27 O3 SO4 A 231 coo 39.84 24.12 8.44 38.50 24.23 9.11 5.95 23.37 98.61 4.96 22.83 97.55 coo 43.22 26.73 5.37 41.81 27.09 5.79 6.50 19.00 98.08 5.18 18.69 97.37 coo 38.17 34.10 6.67 37.72 32.06 6.84 12.23 21.46 92.76 12.58 23.03 91.40 ULMN 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 10 3 # 10 A 229 ALA B 46 ALA^? 11.39 O3 SO4 A 229 A 257 ALA B 18 ALA^? 9.68 O4 SO4 B 229 A 328 ASP B 64 ASP^? 18.27 O3 SO4 A 231 coo 39.84 24.12 8.44 38.50 24.23 9.11 6.12 28.16 98.75 5.87 27.81 97.34 coo 43.22 26.73 5.37 41.81 27.09 5.79 5.95 23.37 98.61 4.96 22.83 97.55 coo 38.17 34.10 6.67 37.72 32.06 6.84 12.23 21.46 92.76 12.58 23.03 91.40 ULMN 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 11 3 # 11 A 229 ALA B 72 ALA^? 7.00 O1 SO4 B 229 A 257 ALA B 73 ALA^? 11.25 O1 SO4 B 229 A 328 ASP B 52 ASP^? 8.63 O2 SO4 B 229 coo 39.84 24.12 8.44 38.50 24.23 9.11 -1.32 11.92 102.44 -1.03 13.40 102.60 coo 43.22 26.73 5.37 41.81 27.09 5.79 1.39 10.71 100.04 2.87 10.55 100.37 coo 38.17 34.10 6.67 37.72 32.06 6.84 -5.20 17.74 96.96 -6.16 15.91 97.49 ULMN 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 12 3 # 12 A 229 ALA B 73 ALA^? 11.25 O1 SO4 B 229 A 257 ALA B 72 ALA^? 7.00 O1 SO4 B 229 A 328 ASP B 52 ASP^? 8.63 O2 SO4 B 229 coo 39.84 24.12 8.44 38.50 24.23 9.11 1.39 10.71 100.04 2.87 10.55 100.37 coo 43.22 26.73 5.37 41.81 27.09 5.79 -1.32 11.92 102.44 -1.03 13.40 102.60 coo 38.17 34.10 6.67 37.72 32.06 6.84 -5.20 17.74 96.96 -6.16 15.91 97.49 1eo7_c00 source 1eo7 CYCLODEXTRIN GLYCOSYLTRANSFERASE : 12 hits 1eo7_c00 naa= 3 ULMN 3 1eq2_c00 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 1 3 # 1 A 116 SER A 32 SER^? 6.95 O3 SO4 A 230 A 140 TYR A 45 TYR^? 12.83 O3 SO4 A 229 A 144 LYS A 35 LYS^? 11.43 O2 SO4 A 230 coo 34.67 35.79 48.83 33.57 37.88 49.47 -9.65 37.25 100.15 -11.63 37.02 101.57 coo 29.60 38.99 53.89 30.10 37.88 51.36 -3.49 33.26 97.33 -5.14 35.38 96.58 coo 32.73 32.94 54.42 29.29 32.83 50.35 -9.76 35.16 95.20 -10.16 29.64 98.57 ULMN 3 1eq2_c00 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 2 3 # 2 A 116 SER A 227 SER^? 9.64 O2 SO4 A 230 A 140 TYR A 45 TYR^? 12.83 O3 SO4 A 229 A 144 LYS A 35 LYS^? 11.43 O2 SO4 A 230 coo 34.67 35.79 48.83 33.57 37.88 49.47 -11.19 33.23 102.79 -12.58 31.68 101.59 coo 29.60 38.99 53.89 30.10 37.88 51.36 -3.49 33.26 97.33 -5.14 35.38 96.58 coo 32.73 32.94 54.42 29.29 32.83 50.35 -9.76 35.16 95.20 -10.16 29.64 98.57 ULMN 3 1eq2_c00 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 3 3 # 3 A 116 SER B 32 SER^? 18.05 O1 SO4 B 229 A 140 TYR B 45 TYR^? 13.10 O4 SO4 B 229 A 144 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo 34.67 35.79 48.83 33.57 37.88 49.47 14.02 25.45 109.10 14.28 25.64 111.53 coo 29.60 38.99 53.89 30.10 37.88 51.36 10.04 26.44 102.60 11.44 24.36 103.85 coo 32.73 32.94 54.42 29.29 32.83 50.35 16.47 24.53 104.57 15.75 30.78 103.34 ULMN 3 1eq2_c00 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 4 3 # 4 A 116 SER B 227 SER^? 13.75 O1 SO4 A 229 A 140 TYR B 45 TYR^? 13.10 O4 SO4 B 229 A 144 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo 34.67 35.79 48.83 33.57 37.88 49.47 14.71 30.25 109.72 16.59 31.22 108.47 coo 29.60 38.99 53.89 30.10 37.88 51.36 10.04 26.44 102.60 11.44 24.36 103.85 coo 32.73 32.94 54.42 29.29 32.83 50.35 16.47 24.53 104.57 15.75 30.78 103.34 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 32 SER^? 6.95 O3 SO4 A 230 B 140 TYR A 45 TYR^? 12.83 O3 SO4 A 229 B 144 LYS A 35 LYS^? 11.43 O2 SO4 A 230 coo 30.90 35.65 89.60 29.85 37.72 88.83 -9.65 37.25 100.15 -11.63 37.02 101.57 coo 24.43 38.83 86.53 27.07 38.03 86.12 -3.49 33.26 97.33 -5.14 35.38 96.58 coo 25.13 32.62 89.49 27.74 32.61 84.91 -9.76 35.16 95.20 -10.16 29.64 98.57 ULMN 3 1eq2_c01 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 2 3 # 2 B 116 SER A 227 SER^? 9.64 O2 SO4 A 230 B 140 TYR A 45 TYR^? 12.83 O3 SO4 A 229 B 144 LYS A 35 LYS^? 11.43 O2 SO4 A 230 coo 30.90 35.65 89.60 29.85 37.72 88.83 -11.19 33.23 102.79 -12.58 31.68 101.59 coo 24.43 38.83 86.53 27.07 38.03 86.12 -3.49 33.26 97.33 -5.14 35.38 96.58 coo 25.13 32.62 89.49 27.74 32.61 84.91 -9.76 35.16 95.20 -10.16 29.64 98.57 ULMN 3 1eq2_c01 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 3 3 # 3 B 116 SER B 32 SER^? 18.05 O1 SO4 B 229 B 140 TYR B 45 TYR^? 13.10 O4 SO4 B 229 B 144 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo 30.90 35.65 89.60 29.85 37.72 88.83 14.02 25.45 109.10 14.28 25.64 111.53 coo 24.43 38.83 86.53 27.07 38.03 86.12 10.04 26.44 102.60 11.44 24.36 103.85 coo 25.13 32.62 89.49 27.74 32.61 84.91 16.47 24.53 104.57 15.75 30.78 103.34 ULMN 3 1eq2_c01 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 4 3 # 4 B 116 SER B 227 SER^? 13.75 O1 SO4 A 229 B 140 TYR B 45 TYR^? 13.10 O4 SO4 B 229 B 144 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo 30.90 35.65 89.60 29.85 37.72 88.83 14.71 30.25 109.72 16.59 31.22 108.47 coo 24.43 38.83 86.53 27.07 38.03 86.12 10.04 26.44 102.60 11.44 24.36 103.85 coo 25.13 32.62 89.49 27.74 32.61 84.91 16.47 24.53 104.57 15.75 30.78 103.34 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 32 SER^? 6.95 O3 SO4 A 230 C 140 TYR A 45 TYR^? 12.83 O3 SO4 A 229 C 144 LYS A 35 LYS^? 11.43 O2 SO4 A 230 coo -8.96 33.70 98.81 -8.96 35.77 97.56 -9.65 37.25 100.15 -11.63 37.02 101.57 coo -8.28 37.01 91.79 -6.99 36.16 94.13 -3.49 33.26 97.33 -5.14 35.38 96.58 coo -10.48 30.66 93.19 -5.27 31.07 94.32 -9.76 35.16 95.20 -10.16 29.64 98.57 ULMN 3 1eq2_c02 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 2 3 # 2 C 116 SER A 227 SER^? 9.64 O2 SO4 A 230 C 140 TYR A 45 TYR^? 12.83 O3 SO4 A 229 C 144 LYS A 35 LYS^? 11.43 O2 SO4 A 230 coo -8.96 33.70 98.81 -8.96 35.77 97.56 -11.19 33.23 102.79 -12.58 31.68 101.59 coo -8.28 37.01 91.79 -6.99 36.16 94.13 -3.49 33.26 97.33 -5.14 35.38 96.58 coo -10.48 30.66 93.19 -5.27 31.07 94.32 -9.76 35.16 95.20 -10.16 29.64 98.57 ULMN 3 1eq2_c02 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 3 3 # 3 C 116 SER B 32 SER^? 18.05 O1 SO4 B 229 C 140 TYR B 45 TYR^? 13.10 O4 SO4 B 229 C 144 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo -8.96 33.70 98.81 -8.96 35.77 97.56 14.02 25.45 109.10 14.28 25.64 111.53 coo -8.28 37.01 91.79 -6.99 36.16 94.13 10.04 26.44 102.60 11.44 24.36 103.85 coo -10.48 30.66 93.19 -5.27 31.07 94.32 16.47 24.53 104.57 15.75 30.78 103.34 ULMN 3 1eq2_c02 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 4 3 # 4 C 116 SER B 227 SER^? 13.75 O1 SO4 A 229 C 140 TYR B 45 TYR^? 13.10 O4 SO4 B 229 C 144 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo -8.96 33.70 98.81 -8.96 35.77 97.56 14.71 30.25 109.72 16.59 31.22 108.47 coo -8.28 37.01 91.79 -6.99 36.16 94.13 10.04 26.44 102.60 11.44 24.36 103.85 coo -10.48 30.66 93.19 -5.27 31.07 94.32 16.47 24.53 104.57 15.75 30.78 103.34 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 32 SER^? 6.95 O3 SO4 A 230 D 140 TYR A 45 TYR^? 12.83 O3 SO4 A 229 D 144 LYS A 35 LYS^? 11.43 O2 SO4 A 230 coo -29.80 31.30 63.54 -28.79 33.52 63.37 -9.65 37.25 100.15 -11.63 37.02 101.57 coo -23.30 35.33 62.20 -25.10 34.24 64.06 -3.49 33.26 97.33 -5.14 35.38 96.58 coo -24.76 28.82 60.31 -24.27 29.01 65.58 -9.76 35.16 95.20 -10.16 29.64 98.57 ULMN 3 1eq2_c03 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 2 3 # 2 D 116 SER A 227 SER^? 9.64 O2 SO4 A 230 D 140 TYR A 45 TYR^? 12.83 O3 SO4 A 229 D 144 LYS A 35 LYS^? 11.43 O2 SO4 A 230 coo -29.80 31.30 63.54 -28.79 33.52 63.37 -11.19 33.23 102.79 -12.58 31.68 101.59 coo -23.30 35.33 62.20 -25.10 34.24 64.06 -3.49 33.26 97.33 -5.14 35.38 96.58 coo -24.76 28.82 60.31 -24.27 29.01 65.58 -9.76 35.16 95.20 -10.16 29.64 98.57 ULMN 3 1eq2_c03 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 3 3 # 3 D 116 SER B 32 SER^? 18.05 O1 SO4 B 229 D 140 TYR B 45 TYR^? 13.10 O4 SO4 B 229 D 144 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo -29.80 31.30 63.54 -28.79 33.52 63.37 14.02 25.45 109.10 14.28 25.64 111.53 coo -23.30 35.33 62.20 -25.10 34.24 64.06 10.04 26.44 102.60 11.44 24.36 103.85 coo -24.76 28.82 60.31 -24.27 29.01 65.58 16.47 24.53 104.57 15.75 30.78 103.34 ULMN 3 1eq2_c03 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 4 3 # 4 D 116 SER B 227 SER^? 13.75 O1 SO4 A 229 D 140 TYR B 45 TYR^? 13.10 O4 SO4 B 229 D 144 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo -29.80 31.30 63.54 -28.79 33.52 63.37 14.71 30.25 109.72 16.59 31.22 108.47 coo -23.30 35.33 62.20 -25.10 34.24 64.06 10.04 26.44 102.60 11.44 24.36 103.85 coo -24.76 28.82 60.31 -24.27 29.01 65.58 16.47 24.53 104.57 15.75 30.78 103.34 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 32 SER^? 6.95 O3 SO4 A 230 E 140 TYR A 45 TYR^? 12.83 O3 SO4 A 229 E 144 LYS A 35 LYS^? 11.43 O2 SO4 A 230 coo -3.01 32.72 32.71 -2.80 34.91 33.79 -9.65 37.25 100.15 -11.63 37.02 101.57 coo 0.04 36.70 38.68 -2.21 35.46 37.50 -3.49 33.26 97.33 -5.14 35.38 96.58 coo 1.93 30.52 36.31 -2.84 30.18 38.54 -9.76 35.16 95.20 -10.16 29.64 98.57 ULMN 3 1eq2_c04 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 2 3 # 2 E 116 SER A 227 SER^? 9.64 O2 SO4 A 230 E 140 TYR A 45 TYR^? 12.83 O3 SO4 A 229 E 144 LYS A 35 LYS^? 11.43 O2 SO4 A 230 coo -3.01 32.72 32.71 -2.80 34.91 33.79 -11.19 33.23 102.79 -12.58 31.68 101.59 coo 0.04 36.70 38.68 -2.21 35.46 37.50 -3.49 33.26 97.33 -5.14 35.38 96.58 coo 1.93 30.52 36.31 -2.84 30.18 38.54 -9.76 35.16 95.20 -10.16 29.64 98.57 ULMN 3 1eq2_c04 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 3 3 # 3 E 116 SER B 32 SER^? 18.05 O1 SO4 B 229 E 140 TYR B 45 TYR^? 13.10 O4 SO4 B 229 E 144 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo -3.01 32.72 32.71 -2.80 34.91 33.79 14.02 25.45 109.10 14.28 25.64 111.53 coo 0.04 36.70 38.68 -2.21 35.46 37.50 10.04 26.44 102.60 11.44 24.36 103.85 coo 1.93 30.52 36.31 -2.84 30.18 38.54 16.47 24.53 104.57 15.75 30.78 103.34 ULMN 3 1eq2_c04 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 4 3 # 4 E 116 SER B 227 SER^? 13.75 O1 SO4 A 229 E 140 TYR B 45 TYR^? 13.10 O4 SO4 B 229 E 144 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo -3.01 32.72 32.71 -2.80 34.91 33.79 14.71 30.25 109.72 16.59 31.22 108.47 coo 0.04 36.70 38.68 -2.21 35.46 37.50 10.04 26.44 102.60 11.44 24.36 103.85 coo 1.93 30.52 36.31 -2.84 30.18 38.54 16.47 24.53 104.57 15.75 30.78 103.34 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 32 SER^? 6.95 O3 SO4 A 230 F 140 TYR A 45 TYR^? 12.83 O3 SO4 A 229 F 144 LYS A 35 LYS^? 11.43 O2 SO4 A 230 coo 55.30 92.46 56.72 55.15 90.39 55.38 -9.65 37.25 100.15 -11.63 37.02 101.57 coo 54.49 89.31 49.65 53.35 90.16 52.06 -3.49 33.26 97.33 -5.14 35.38 96.58 coo 56.78 95.62 51.15 51.59 95.31 52.37 -9.76 35.16 95.20 -10.16 29.64 98.57 ULMN 3 1eq2_c05 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 2 3 # 2 F 116 SER A 227 SER^? 9.64 O2 SO4 A 230 F 140 TYR A 45 TYR^? 12.83 O3 SO4 A 229 F 144 LYS A 35 LYS^? 11.43 O2 SO4 A 230 coo 55.30 92.46 56.72 55.15 90.39 55.38 -11.19 33.23 102.79 -12.58 31.68 101.59 coo 54.49 89.31 49.65 53.35 90.16 52.06 -3.49 33.26 97.33 -5.14 35.38 96.58 coo 56.78 95.62 51.15 51.59 95.31 52.37 -9.76 35.16 95.20 -10.16 29.64 98.57 ULMN 3 1eq2_c05 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 3 3 # 3 F 116 SER B 32 SER^? 18.05 O1 SO4 B 229 F 140 TYR B 45 TYR^? 13.10 O4 SO4 B 229 F 144 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo 55.30 92.46 56.72 55.15 90.39 55.38 14.02 25.45 109.10 14.28 25.64 111.53 coo 54.49 89.31 49.65 53.35 90.16 52.06 10.04 26.44 102.60 11.44 24.36 103.85 coo 56.78 95.62 51.15 51.59 95.31 52.37 16.47 24.53 104.57 15.75 30.78 103.34 ULMN 3 1eq2_c05 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 4 3 # 4 F 116 SER B 227 SER^? 13.75 O1 SO4 A 229 F 140 TYR B 45 TYR^? 13.10 O4 SO4 B 229 F 144 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo 55.30 92.46 56.72 55.15 90.39 55.38 14.71 30.25 109.72 16.59 31.22 108.47 coo 54.49 89.31 49.65 53.35 90.16 52.06 10.04 26.44 102.60 11.44 24.36 103.85 coo 56.78 95.62 51.15 51.59 95.31 52.37 16.47 24.53 104.57 15.75 30.78 103.34 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 32 SER^? 6.95 O3 SO4 A 230 G 140 TYR A 45 TYR^? 12.83 O3 SO4 A 229 G 144 LYS A 35 LYS^? 11.43 O2 SO4 A 230 coo 76.25 95.63 21.56 75.29 93.40 21.36 -9.65 37.25 100.15 -11.63 37.02 101.57 coo 69.78 91.62 20.06 71.51 92.68 22.02 -3.49 33.26 97.33 -5.14 35.38 96.58 coo 71.19 98.21 18.32 70.69 97.75 23.67 -9.76 35.16 95.20 -10.16 29.64 98.57 ULMN 3 1eq2_c06 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 2 3 # 2 G 116 SER A 227 SER^? 9.64 O2 SO4 A 230 G 140 TYR A 45 TYR^? 12.83 O3 SO4 A 229 G 144 LYS A 35 LYS^? 11.43 O2 SO4 A 230 coo 76.25 95.63 21.56 75.29 93.40 21.36 -11.19 33.23 102.79 -12.58 31.68 101.59 coo 69.78 91.62 20.06 71.51 92.68 22.02 -3.49 33.26 97.33 -5.14 35.38 96.58 coo 71.19 98.21 18.32 70.69 97.75 23.67 -9.76 35.16 95.20 -10.16 29.64 98.57 ULMN 3 1eq2_c06 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 3 3 # 3 G 116 SER B 32 SER^? 18.05 O1 SO4 B 229 G 140 TYR B 45 TYR^? 13.10 O4 SO4 B 229 G 144 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo 76.25 95.63 21.56 75.29 93.40 21.36 14.02 25.45 109.10 14.28 25.64 111.53 coo 69.78 91.62 20.06 71.51 92.68 22.02 10.04 26.44 102.60 11.44 24.36 103.85 coo 71.19 98.21 18.32 70.69 97.75 23.67 16.47 24.53 104.57 15.75 30.78 103.34 ULMN 3 1eq2_c06 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 4 3 # 4 G 116 SER B 227 SER^? 13.75 O1 SO4 A 229 G 140 TYR B 45 TYR^? 13.10 O4 SO4 B 229 G 144 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo 76.25 95.63 21.56 75.29 93.40 21.36 14.71 30.25 109.72 16.59 31.22 108.47 coo 69.78 91.62 20.06 71.51 92.68 22.02 10.04 26.44 102.60 11.44 24.36 103.85 coo 71.19 98.21 18.32 70.69 97.75 23.67 16.47 24.53 104.57 15.75 30.78 103.34 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 32 SER^? 6.95 O3 SO4 A 230 H 140 TYR A 45 TYR^? 12.83 O3 SO4 A 229 H 144 LYS A 35 LYS^? 11.43 O2 SO4 A 230 coo 15.45 90.62 47.70 16.55 88.57 46.97 -9.65 37.25 100.15 -11.63 37.02 101.57 coo 21.92 87.58 44.67 19.30 88.41 44.23 -3.49 33.26 97.33 -5.14 35.38 96.58 coo 21.26 93.70 47.67 18.47 93.68 43.08 -9.76 35.16 95.20 -10.16 29.64 98.57 ULMN 3 1eq2_c07 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 2 3 # 2 H 116 SER A 227 SER^? 9.64 O2 SO4 A 230 H 140 TYR A 45 TYR^? 12.83 O3 SO4 A 229 H 144 LYS A 35 LYS^? 11.43 O2 SO4 A 230 coo 15.45 90.62 47.70 16.55 88.57 46.97 -11.19 33.23 102.79 -12.58 31.68 101.59 coo 21.92 87.58 44.67 19.30 88.41 44.23 -3.49 33.26 97.33 -5.14 35.38 96.58 coo 21.26 93.70 47.67 18.47 93.68 43.08 -9.76 35.16 95.20 -10.16 29.64 98.57 ULMN 3 1eq2_c07 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 3 3 # 3 H 116 SER B 32 SER^? 18.05 O1 SO4 B 229 H 140 TYR B 45 TYR^? 13.10 O4 SO4 B 229 H 144 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo 15.45 90.62 47.70 16.55 88.57 46.97 14.02 25.45 109.10 14.28 25.64 111.53 coo 21.92 87.58 44.67 19.30 88.41 44.23 10.04 26.44 102.60 11.44 24.36 103.85 coo 21.26 93.70 47.67 18.47 93.68 43.08 16.47 24.53 104.57 15.75 30.78 103.34 ULMN 3 1eq2_c07 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 4 3 # 4 H 116 SER B 227 SER^? 13.75 O1 SO4 A 229 H 140 TYR B 45 TYR^? 13.10 O4 SO4 B 229 H 144 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo 15.45 90.62 47.70 16.55 88.57 46.97 14.71 30.25 109.72 16.59 31.22 108.47 coo 21.92 87.58 44.67 19.30 88.41 44.23 10.04 26.44 102.60 11.44 24.36 103.85 coo 21.26 93.70 47.67 18.47 93.68 43.08 16.47 24.53 104.57 15.75 30.78 103.34 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 32 SER^? 6.95 O3 SO4 A 230 I 140 TYR A 45 TYR^? 12.83 O3 SO4 A 229 I 144 LYS A 35 LYS^? 11.43 O2 SO4 A 230 coo 11.78 90.82 7.18 12.84 88.72 7.93 -9.65 37.25 100.15 -11.63 37.02 101.57 coo 16.78 87.76 12.19 16.39 88.69 9.59 -3.49 33.26 97.33 -5.14 35.38 96.58 coo 13.67 93.83 12.65 17.08 93.94 8.58 -9.76 35.16 95.20 -10.16 29.64 98.57 ULMN 3 1eq2_c08 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 2 3 # 2 I 116 SER A 227 SER^? 9.64 O2 SO4 A 230 I 140 TYR A 45 TYR^? 12.83 O3 SO4 A 229 I 144 LYS A 35 LYS^? 11.43 O2 SO4 A 230 coo 11.78 90.82 7.18 12.84 88.72 7.93 -11.19 33.23 102.79 -12.58 31.68 101.59 coo 16.78 87.76 12.19 16.39 88.69 9.59 -3.49 33.26 97.33 -5.14 35.38 96.58 coo 13.67 93.83 12.65 17.08 93.94 8.58 -9.76 35.16 95.20 -10.16 29.64 98.57 ULMN 3 1eq2_c08 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 3 3 # 3 I 116 SER B 32 SER^? 18.05 O1 SO4 B 229 I 140 TYR B 45 TYR^? 13.10 O4 SO4 B 229 I 144 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo 11.78 90.82 7.18 12.84 88.72 7.93 14.02 25.45 109.10 14.28 25.64 111.53 coo 16.78 87.76 12.19 16.39 88.69 9.59 10.04 26.44 102.60 11.44 24.36 103.85 coo 13.67 93.83 12.65 17.08 93.94 8.58 16.47 24.53 104.57 15.75 30.78 103.34 ULMN 3 1eq2_c08 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 4 3 # 4 I 116 SER B 227 SER^? 13.75 O1 SO4 A 229 I 140 TYR B 45 TYR^? 13.10 O4 SO4 B 229 I 144 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo 11.78 90.82 7.18 12.84 88.72 7.93 14.71 30.25 109.72 16.59 31.22 108.47 coo 16.78 87.76 12.19 16.39 88.69 9.59 10.04 26.44 102.60 11.44 24.36 103.85 coo 13.67 93.83 12.65 17.08 93.94 8.58 16.47 24.53 104.57 15.75 30.78 103.34 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 32 SER^? 6.95 O3 SO4 A 230 J 140 TYR A 45 TYR^? 12.83 O3 SO4 A 229 J 144 LYS A 35 LYS^? 11.43 O2 SO4 A 230 coo 49.46 93.97 -9.19 49.31 91.82 -8.04 -9.65 37.25 100.15 -11.63 37.02 101.57 coo 46.51 90.06 -3.08 48.69 91.36 -4.30 -3.49 33.26 97.33 -5.14 35.38 96.58 coo 44.49 96.17 -5.53 49.37 96.61 -3.37 -9.76 35.16 95.20 -10.16 29.64 98.57 ULMN 3 1eq2_c09 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 2 3 # 2 J 116 SER A 227 SER^? 9.64 O2 SO4 A 230 J 140 TYR A 45 TYR^? 12.83 O3 SO4 A 229 J 144 LYS A 35 LYS^? 11.43 O2 SO4 A 230 coo 49.46 93.97 -9.19 49.31 91.82 -8.04 -11.19 33.23 102.79 -12.58 31.68 101.59 coo 46.51 90.06 -3.08 48.69 91.36 -4.30 -3.49 33.26 97.33 -5.14 35.38 96.58 coo 44.49 96.17 -5.53 49.37 96.61 -3.37 -9.76 35.16 95.20 -10.16 29.64 98.57 ULMN 3 1eq2_c09 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 3 3 # 3 J 116 SER B 32 SER^? 18.05 O1 SO4 B 229 J 140 TYR B 45 TYR^? 13.10 O4 SO4 B 229 J 144 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo 49.46 93.97 -9.19 49.31 91.82 -8.04 14.02 25.45 109.10 14.28 25.64 111.53 coo 46.51 90.06 -3.08 48.69 91.36 -4.30 10.04 26.44 102.60 11.44 24.36 103.85 coo 44.49 96.17 -5.53 49.37 96.61 -3.37 16.47 24.53 104.57 15.75 30.78 103.34 ULMN 3 1eq2_c09 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 4 3 # 4 J 116 SER B 227 SER^? 13.75 O1 SO4 A 229 J 140 TYR B 45 TYR^? 13.10 O4 SO4 B 229 J 144 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo 49.46 93.97 -9.19 49.31 91.82 -8.04 14.71 30.25 109.72 16.59 31.22 108.47 coo 46.51 90.06 -3.08 48.69 91.36 -4.30 10.04 26.44 102.60 11.44 24.36 103.85 coo 44.49 96.17 -5.53 49.37 96.61 -3.37 16.47 24.53 104.57 15.75 30.78 103.34 1eq2_c09 source 1eq2 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMERASE : 4 hits 1eq2_c09 naa= 3 ULMN 3 1et0_c00 4-AMINO-4-DEOXYCHORISMATE LYASE user 1 3 # 1 A 159 LYS A 110 LYS^? 28.35 O1 SO4 A 229 A 193 GLU A 105 GLU^? 30.13 O4 SO4 A 229 A 217 VAL A 109 VAL^? 24.67 O1 SO4 A 229 coo 2.10 10.68 61.44 -2.14 13.16 60.61 25.55 58.06 108.35 29.49 58.97 105.77 coo -5.33 11.71 69.72 -4.62 11.92 67.73 20.63 62.21 117.15 22.45 61.29 117.66 coo 0.07 12.29 66.53 -0.24 11.95 64.38 22.52 59.94 109.62 20.60 58.90 109.34 ULMN 3 1et0_c00 4-AMINO-4-DEOXYCHORISMATE LYASE user 2 3 # 2 A 159 LYS B 110 LYS^? 32.96 O3 SO4 B 229 A 193 GLU B 105 GLU^? 33.36 O3 SO4 B 229 A 217 VAL B 109 VAL^? 26.44 O3 SO4 B 229 coo 2.10 10.68 61.44 -2.14 13.16 60.61 -21.89 7.24 119.36 -25.62 3.73 122.06 coo -5.33 11.71 69.72 -4.62 11.92 67.73 -18.43 5.03 129.05 -20.50 4.52 128.90 coo 0.07 12.29 66.53 -0.24 11.95 64.38 -19.13 5.61 121.42 -17.16 6.63 121.36 1et0_c00 source 1et0 4-AMINO-4-DEOXYCHORISMATE LYASE : 2 hits 1et0_c00 naa= 3 ULMN 3 1euu_c00 SIALIDASE user 1 3 # 1 92 ASP A 120 ASP^? 7.17 O2 SO4 A 229 260 GLU A 74 GLU^? 15.20 O4 SO4 A 231 370 TYR A 76 TYR^? 9.48 O2 SO4 A 229 coo 8.60 -17.93 28.38 7.67 -19.04 26.88 9.29 47.78 99.49 7.80 47.36 98.01 coo 0.12 -12.06 25.14 1.33 -13.03 23.72 6.06 51.55 88.92 5.14 51.51 86.98 coo 4.66 -12.77 19.52 3.70 -14.16 21.71 10.27 43.52 89.91 10.78 42.74 92.53 ULMN 3 1euu_c00 SIALIDASE user 2 3 # 2 92 ASP A 138 ASP^? 13.32 O1 SO4 A 229 260 GLU A 143 GLU^? 15.50 O1 SO4 A 229 370 TYR A 141 TYR^? 9.25 O4 SO4 A 229 coo 8.60 -17.93 28.38 7.67 -19.04 26.88 23.15 43.17 105.53 21.70 41.96 104.55 coo 0.12 -12.06 25.14 1.33 -13.03 23.72 19.40 41.86 113.53 20.16 40.92 111.75 coo 4.66 -12.77 19.52 3.70 -14.16 21.71 12.91 44.78 109.54 12.66 42.85 107.55 1euu_c00 source 1euu SIALIDASE : 2 hits 1euu_c00 naa= 3 ULMN 3 1euy_c00 GLUTAMINYL-TRNA SYNTHETASE user 1 3 # 1 A 34 GLU A 105 GLU^? 30.13 O4 SO4 A 229 A 260 ARG A 111 ARG^? 23.82 O1 SO4 A 229 A 270 LYS A 150 LYS^? 27.89 O1 SO4 A 229 coo 50.99 29.43 12.86 52.11 29.45 14.65 20.63 62.21 117.15 22.45 61.29 117.66 coo 39.80 27.50 22.98 42.20 26.56 21.34 27.79 53.22 110.53 27.99 50.20 111.12 coo 48.83 21.70 19.50 47.44 24.99 15.25 22.85 50.51 120.58 24.66 47.59 122.80 ULMN 3 1euy_c00 GLUTAMINYL-TRNA SYNTHETASE user 2 3 # 2 A 34 GLU A 143 GLU^? 15.50 O1 SO4 A 229 A 260 ARG A 111 ARG^? 23.82 O1 SO4 A 229 A 270 LYS A 150 LYS^? 27.89 O1 SO4 A 229 coo 50.99 29.43 12.86 52.11 29.45 14.65 19.40 41.86 113.53 20.16 40.92 111.75 coo 39.80 27.50 22.98 42.20 26.56 21.34 27.79 53.22 110.53 27.99 50.20 111.12 coo 48.83 21.70 19.50 47.44 24.99 15.25 22.85 50.51 120.58 24.66 47.59 122.80 ULMN 3 1euy_c00 GLUTAMINYL-TRNA SYNTHETASE user 3 3 # 3 A 34 GLU A 187 GLU^? 15.53 O2 SO4 A 229 A 260 ARG A 204 ARG^? 16.71 O4 SO4 A 231 A 270 LYS A 209 LYS^? -15.38 O1 SO4 A 230s coo 50.99 29.43 12.86 52.11 29.45 14.65 -0.92 50.23 94.11 -1.07 51.49 92.41 coo 39.80 27.50 22.98 42.20 26.56 21.34 -6.84 43.91 80.86 -3.85 44.77 81.39 coo 48.83 21.70 19.50 47.44 24.99 15.25 -11.65 46.61 90.96 -7.59 51.79 90.86 ULMN 3 1euy_c00 GLUTAMINYL-TRNA SYNTHETASE user 4 3 # 4 A 34 GLU B 87 GLU^? 17.71 O1 SO4 B 229 A 260 ARG B 204 ARG^? 28.80 O1 SO4 B 229 A 270 LYS B 209 LYS^? 20.92 O1 SO4 B 229 coo 50.99 29.43 12.86 52.11 29.45 14.65 10.05 8.18 103.44 9.48 6.19 103.45 coo 39.80 27.50 22.98 42.20 26.56 21.34 22.06 9.76 97.61 23.97 10.05 95.18 coo 48.83 21.70 19.50 47.44 24.99 15.25 18.15 13.29 108.56 15.24 7.74 107.09 ULMN 3 1euy_c00 GLUTAMINYL-TRNA SYNTHETASE user 5 3 # 5 A 34 GLU B 105 GLU^? 33.36 O3 SO4 B 229 A 260 ARG B 111 ARG^? 27.08 O3 SO4 B 229 A 270 LYS B 150 LYS^? 31.23 O3 SO4 B 229 coo 50.99 29.43 12.86 52.11 29.45 14.65 -18.43 5.03 129.05 -20.50 4.52 128.90 coo 39.80 27.50 22.98 42.20 26.56 21.34 -24.28 12.69 119.80 -25.14 15.67 120.10 coo 48.83 21.70 19.50 47.44 24.99 15.25 -21.61 16.08 130.79 -22.65 22.25 130.12 1euy_c00 source 1euy GLUTAMINYL-TRNA SYNTHETASE : 5 hits 1euy_c00 naa= 3 ULMN 3 1fc4_c02 2-AMINO-3-KETOBUTYRATE CONENZYME A Luser 1 3 # 1 A 112 PHE A 43 PHE^? 12.47 O2 SO4 A 230 A 210 ASP A 39 ASP^? 5.87 O2 SO4 A 230 A 244 LYS A 209 LYS^? -15.38 O1 SO4 A 230s coo 9.23 46.77 25.11 11.48 48.39 24.76 -7.45 32.13 92.38 -5.84 34.37 92.77 coo 10.51 37.86 19.71 9.07 39.38 20.04 -16.67 33.15 92.05 -17.20 32.80 93.99 coo -1.20 42.34 17.67 3.19 45.13 19.06 -11.65 46.61 90.96 -7.59 51.79 90.86 ULMN 3 1fc4_c02 2-AMINO-3-KETOBUTYRATE CONENZYME A Luser 2 3 # 2 A 112 PHE A 128 PHE^? 20.91 O4 SO4 A 229 A 210 ASP A 126 ASP^? 16.24 O1 SO4 A 229 A 244 LYS A 110 LYS^? 28.35 O1 SO4 A 229 coo 9.23 46.77 25.11 11.48 48.39 24.76 14.74 59.11 102.82 14.74 60.87 104.99 coo 10.51 37.86 19.71 9.07 39.38 20.04 18.12 53.54 96.53 19.31 51.77 96.80 coo -1.20 42.34 17.67 3.19 45.13 19.06 25.55 58.06 108.35 29.49 58.97 105.77 ULMN 3 1fc4_c02 2-AMINO-3-KETOBUTYRATE CONENZYME A Luser 3 3 # 3 A 112 PHE A 128 PHE^? 20.91 O4 SO4 A 229 A 210 ASP A 131 ASP^? 27.86 O1 SO4 A 231 A 244 LYS A 110 LYS^? 28.35 O1 SO4 A 229 coo 9.23 46.77 25.11 11.48 48.39 24.76 14.74 59.11 102.82 14.74 60.87 104.99 coo 10.51 37.86 19.71 9.07 39.38 20.04 23.62 62.30 95.31 25.14 61.71 93.92 coo -1.20 42.34 17.67 3.19 45.13 19.06 25.55 58.06 108.35 29.49 58.97 105.77 ULMN 3 1fc4_c02 2-AMINO-3-KETOBUTYRATE CONENZYME A Luser 4 3 # 4 A 112 PHE B 43 PHE^? 16.09 O3 SO4 A 229 A 210 ASP B 39 ASP^? 20.66 O1 SO4 A 229 A 244 LYS B 209 LYS^? 20.92 O1 SO4 B 229 coo 9.23 46.77 25.11 11.48 48.39 24.76 15.88 25.23 99.92 13.86 23.61 100.92 coo 10.51 37.86 19.71 9.07 39.38 20.04 23.84 25.31 104.29 24.42 26.93 105.50 coo -1.20 42.34 17.67 3.19 45.13 19.06 18.15 13.29 108.56 15.24 7.74 107.09 1fc4_c02 source 1fc4 2-AMINO-3-KETOBUTYRATE CONENZYME A LIGASE : 4 hits 1fc4_c02 naa= 3 ULMN 3 1fc4_c03 2-AMINO-3-KETOBUTYRATE CONENZYME A Luser 1 3 # 1 B 112 PHE A 43 PHE^? 12.47 O2 SO4 A 230 B 210 ASP A 39 ASP^? 5.87 O2 SO4 A 230 B 244 LYS A 209 LYS^? -15.38 O1 SO4 A 230s coo 8.76 47.85 34.91 11.08 46.36 35.41 -7.45 32.13 92.38 -5.84 34.37 92.77 coo 9.06 56.85 40.30 7.71 55.27 39.90 -16.67 33.15 92.05 -17.20 32.80 93.99 coo -2.38 51.82 41.62 2.07 49.19 40.42 -11.65 46.61 90.96 -7.59 51.79 90.86 ULMN 3 1fc4_c03 2-AMINO-3-KETOBUTYRATE CONENZYME A Luser 2 3 # 2 B 112 PHE A 128 PHE^? 20.91 O4 SO4 A 229 B 210 ASP A 131 ASP^? 27.86 O1 SO4 A 231 B 244 LYS A 110 LYS^? 28.35 O1 SO4 A 229 coo 8.76 47.85 34.91 11.08 46.36 35.41 14.74 59.11 102.82 14.74 60.87 104.99 coo 9.06 56.85 40.30 7.71 55.27 39.90 23.62 62.30 95.31 25.14 61.71 93.92 coo -2.38 51.82 41.62 2.07 49.19 40.42 25.55 58.06 108.35 29.49 58.97 105.77 ULMN 3 1fc4_c03 2-AMINO-3-KETOBUTYRATE CONENZYME A Luser 3 3 # 3 B 112 PHE B 43 PHE^? 16.09 O3 SO4 A 229 B 210 ASP B 39 ASP^? 20.66 O1 SO4 A 229 B 244 LYS B 209 LYS^? 20.92 O1 SO4 B 229 coo 8.76 47.85 34.91 11.08 46.36 35.41 15.88 25.23 99.92 13.86 23.61 100.92 coo 9.06 56.85 40.30 7.71 55.27 39.90 23.84 25.31 104.29 24.42 26.93 105.50 coo -2.38 51.82 41.62 2.07 49.19 40.42 18.15 13.29 108.56 15.24 7.74 107.09 1fc4_c03 source 1fc4 2-AMINO-3-KETOBUTYRATE CONENZYME A LIGASE : 3 hits 1fc4_c03 naa= 3 ULMN 3 1fhl_c00 BETA-1,4-GALACTANASE user 1 3 # 1 A 45 ARG A 102 ARG^? 26.30 O1 SO4 A 229 A 136 GLU A 172 GLU^? 26.58 O4 SO4 A 229 A 246 GLU A 105 GLU^? 30.13 O4 SO4 A 229 coo 13.48 30.30 107.06 11.75 30.99 109.44 20.87 56.76 118.88 22.55 56.51 116.31 coo 9.46 32.37 115.82 8.50 34.20 115.47 13.47 60.86 115.95 13.70 62.79 115.15 coo 11.99 34.33 109.92 10.08 34.19 110.77 20.63 62.21 117.15 22.45 61.29 117.66 ULMN 3 1fhl_c00 BETA-1,4-GALACTANASE user 2 3 # 2 A 45 ARG B 102 ARG^? 29.89 O3 SO4 B 229 A 136 GLU B 172 GLU^? 30.08 O3 SO4 B 229 A 246 GLU B 105 GLU^? 33.36 O3 SO4 B 229 coo 13.48 30.30 107.06 11.75 30.99 109.44 -18.79 9.83 130.39 -20.19 10.03 127.65 coo 9.46 32.37 115.82 8.50 34.20 115.47 -11.19 5.19 128.37 -11.78 3.12 128.47 coo 11.99 34.33 109.92 10.08 34.19 110.77 -18.43 5.03 129.05 -20.50 4.52 128.90 1fhl_c00 source 1fhl BETA-1,4-GALACTANASE : 2 hits 1fhl_c00 naa= 3 ULMN 3 1fob_c00 BETA-1,4-GALACTANASE user 1 3 # 1 A 45 ARG A 102 ARG^? 26.30 O1 SO4 A 229 A 136 GLU A 172 GLU^? 26.58 O4 SO4 A 229 A 246 GLU A 105 GLU^? 30.13 O4 SO4 A 229 coo 13.94 29.84 106.80 11.67 30.40 108.79 20.87 56.76 118.88 22.55 56.51 116.31 coo 9.52 31.97 115.23 8.45 33.74 114.72 13.47 60.86 115.95 13.70 62.79 115.15 coo 11.92 33.82 109.35 10.10 33.50 110.39 20.63 62.21 117.15 22.45 61.29 117.66 ULMN 3 1fob_c00 BETA-1,4-GALACTANASE user 2 3 # 2 A 45 ARG B 102 ARG^? 29.89 O3 SO4 B 229 A 136 GLU B 172 GLU^? 30.08 O3 SO4 B 229 A 246 GLU B 105 GLU^? 33.36 O3 SO4 B 229 coo 13.94 29.84 106.80 11.67 30.40 108.79 -18.79 9.83 130.39 -20.19 10.03 127.65 coo 9.52 31.97 115.23 8.45 33.74 114.72 -11.19 5.19 128.37 -11.78 3.12 128.47 coo 11.92 33.82 109.35 10.10 33.50 110.39 -18.43 5.03 129.05 -20.50 4.52 128.90 1fob_c00 source 1fob BETA-1,4-GALACTANASE : 2 hits 1fob_c00 naa= 3 ULMN 3 1foh_c00 PHENOL HYDROXYLASE user 1 3 # 1 A 54 ASP B 196 ASP^? 21.51 O1 SO4 B 229 A 281 ARG B 193 ARG^? 19.35 O1 SO4 B 229 A 289 TYR B 63 TYR^? 12.59 O4 SO4 B 229 coo 54.86 40.00 47.23 55.57 38.60 48.67 12.23 15.64 88.97 13.40 17.43 88.99 coo 52.08 40.18 50.14 50.83 38.93 47.73 7.25 16.45 87.82 9.33 18.65 88.34 coo 57.82 31.70 50.73 57.94 34.00 49.17 6.08 23.92 93.84 4.01 25.72 94.40 1foh_c00 source 1foh PHENOL HYDROXYLASE : 1 hits 1foh_c00 naa= 3 ULMN 3 1foh_c01 PHENOL HYDROXYLASE user 1 3 # 1 B 54 ASP B 196 ASP^? 21.51 O1 SO4 B 229 B 281 ARG B 193 ARG^? 19.35 O1 SO4 B 229 B 289 TYR B 63 TYR^? 12.59 O4 SO4 B 229 coo 90.56 80.24 98.04 90.36 81.53 96.34 12.23 15.64 88.97 13.40 17.43 88.99 coo 86.62 80.67 97.51 87.37 82.00 100.10 7.25 16.45 87.82 9.33 18.65 88.34 coo 91.83 88.28 92.88 92.60 85.93 94.14 6.08 23.92 93.84 4.01 25.72 94.40 1foh_c01 source 1foh PHENOL HYDROXYLASE : 1 hits 1foh_c01 naa= 3 ULMN 3 1foh_c02 PHENOL HYDROXYLASE user 1 3 # 1 C 54 ASP B 196 ASP^? 21.51 O1 SO4 B 229 C 281 ARG B 193 ARG^? 19.35 O1 SO4 B 229 C 289 TYR B 63 TYR^? 12.59 O4 SO4 B 229 coo 42.34 76.83 49.10 43.06 78.59 50.01 12.23 15.64 88.97 13.40 17.43 88.99 coo 46.12 77.15 48.13 44.44 77.61 45.70 7.25 16.45 87.82 9.33 18.65 88.34 coo 42.69 86.18 51.69 41.59 83.63 51.54 6.08 23.92 93.84 4.01 25.72 94.40 1foh_c02 source 1foh PHENOL HYDROXYLASE : 1 hits 1foh_c02 naa= 3 ULMN 3 1foh_c03 PHENOL HYDROXYLASE user 1 3 # 1 D 54 ASP B 196 ASP^? 21.51 O1 SO4 B 229 D 281 ARG B 193 ARG^? 19.35 O1 SO4 B 229 D 289 TYR B 63 TYR^? 12.59 O4 SO4 B 229 coo 75.05 45.80 106.18 74.73 43.88 105.51 12.23 15.64 88.97 13.40 17.43 88.99 coo 78.52 44.93 104.78 78.72 44.49 107.76 7.25 16.45 87.82 9.33 18.65 88.34 coo 72.35 36.51 104.82 72.00 39.20 105.46 6.08 23.92 93.84 4.01 25.72 94.40 1foh_c03 source 1foh PHENOL HYDROXYLASE : 1 hits 1foh_c03 naa= 3 ULMN 3 1fr8_c00 BETA 1,4 GALACTOSYLTRANSFERASE user 1 3 # 1 A 317 GLU A 105 GLU^? 30.13 O4 SO4 A 229 A 319 ASP A 154 ASP^? 25.59 O1 SO4 A 229 A 359 ARG A 111 ARG^? 23.82 O1 SO4 A 229 coo 14.41 12.40 16.42 12.92 13.74 15.71 20.63 62.21 117.15 22.45 61.29 117.66 coo 12.25 13.04 23.85 11.56 15.02 23.93 22.41 56.72 112.09 24.50 56.74 112.55 coo 10.89 14.95 28.28 12.39 12.53 29.31 27.79 53.22 110.53 27.99 50.20 111.12 ULMN 3 1fr8_c00 BETA 1,4 GALACTOSYLTRANSFERASE user 2 3 # 2 A 317 GLU A 143 GLU^? 15.50 O1 SO4 A 229 A 319 ASP A 115 ASP^? 8.58 O1 SO4 A 229 A 359 ARG A 117 ARG^? 9.09 O1 SO4 A 229 coo 14.41 12.40 16.42 12.92 13.74 15.71 19.40 41.86 113.53 20.16 40.92 111.75 coo 12.25 13.04 23.85 11.56 15.02 23.93 15.77 43.56 105.82 15.72 41.47 106.14 coo 10.89 14.95 28.28 12.39 12.53 29.31 15.20 37.23 104.25 15.70 38.54 107.02 1fr8_c00 source 1fr8 BETA 1,4 GALACTOSYLTRANSFERASE : 2 hits 1fr8_c00 naa= 3 ULMN 3 1fr8_c01 BETA 1,4 GALACTOSYLTRANSFERASE user 1 3 # 1 B 317 GLU A 105 GLU^? 30.13 O4 SO4 A 229 B 319 ASP A 154 ASP^? 25.59 O1 SO4 A 229 B 359 ARG A 111 ARG^? 23.82 O1 SO4 A 229 coo 10.77 13.13 40.94 11.03 14.73 39.51 20.63 62.21 117.15 22.45 61.29 117.66 coo 3.77 12.64 38.21 3.35 14.53 37.39 22.41 56.72 112.09 24.50 56.74 112.55 coo -1.16 15.32 35.60 -3.32 13.56 36.98 27.79 53.22 110.53 27.99 50.20 111.12 ULMN 3 1fr8_c01 BETA 1,4 GALACTOSYLTRANSFERASE user 2 3 # 2 B 317 GLU B 105 GLU^? 33.36 O3 SO4 B 229 B 319 ASP B 154 ASP^? 28.34 O3 SO4 B 229 B 359 ARG B 111 ARG^? 27.08 O3 SO4 B 229 coo 10.77 13.13 40.94 11.03 14.73 39.51 -18.43 5.03 129.05 -20.50 4.52 128.90 coo 3.77 12.64 38.21 3.35 14.53 37.39 -19.38 9.09 123.27 -21.52 8.99 123.42 coo -1.16 15.32 35.60 -3.32 13.56 36.98 -24.28 12.69 119.80 -25.14 15.67 120.10 1fr8_c01 source 1fr8 BETA 1,4 GALACTOSYLTRANSFERASE : 2 hits 1fr8_c01 naa= 3 ULMN 3 1g8f_c00 SULFATE ADENYLYLTRANSFERASE user 1 3 # 1 A 197 ARG A 117 ARG^? 9.09 O1 SO4 A 229 A 201 HIS A 47 HIS^? 9.70 O3 SO4 A 229 A 204 HIS B 47 HIS^? 9.69 O4 SO4 B 229 coo -27.47 20.45 37.96 -26.70 17.86 36.51 15.20 37.23 104.25 15.70 38.54 107.02 coo -15.08 14.90 41.58 -16.70 13.64 42.02 0.48 32.34 101.22 -1.58 32.73 101.11 coo -15.44 20.23 39.72 -16.43 18.87 38.47 4.75 28.44 103.45 6.59 28.31 104.44 1g8f_c00 source 1g8f SULFATE ADENYLYLTRANSFERASE : 1 hits 1g8f_c00 naa= 3 ULMN 3 1gdo_c00 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 1 3 # 1 B 1 CYH A 57 CYH^? 11.87 O3 SO4 A 229 B 98 ASN A 60 ASN^? 8.61 O3 SO4 A 231 B 99 GLY A 61 GLY^? 10.88 O4 SO4 A 231 coo 60.40 53.51 86.58 58.33 55.30 85.83 9.42 32.30 89.74 9.90 31.16 92.16 coo 61.33 49.28 88.22 61.64 50.04 86.28 11.24 30.46 86.13 13.17 31.33 86.46 coo 60.75 49.64 92.68 61.49 50.04 92.62 6.83 29.99 84.43 7.11 29.96 85.20 ULMN 3 1gdo_c00 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 2 3 # 2 B 1 CYH B 57 CYH^? 12.18 O4 SO4 B 229 B 98 ASN B 60 ASN^? 17.59 O1 SO4 B 229 B 99 GLY B 61 GLY^? 18.77 O1 SO4 B 229 coo 60.40 53.51 86.58 58.33 55.30 85.83 1.42 21.45 91.40 -0.02 23.70 92.33 coo 61.33 49.28 88.22 61.64 50.04 86.28 1.10 20.85 87.08 -0.88 20.02 86.80 coo 60.75 49.64 92.68 61.49 50.04 92.62 5.86 21.10 87.10 5.33 21.40 87.62 1gdo_c00 source 1gdo GLUCOSAMINE 6-PHOSPHATE SYNTHASE : 2 hits 1gdo_c00 naa= 3 ULMN 3 1gdo_c01 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 1 3 # 1 D 1 CYH A 57 CYH^? 11.87 O3 SO4 A 229 D 98 ASN A 60 ASN^? 8.61 O3 SO4 A 231 D 99 GLY A 61 GLY^? 10.88 O4 SO4 A 231 coo 45.17 35.76 43.57 47.17 33.90 42.78 9.42 32.30 89.74 9.90 31.16 92.16 coo 44.24 40.01 45.19 43.94 39.25 43.24 11.24 30.46 86.13 13.17 31.33 86.46 coo 44.81 39.60 49.65 44.07 39.23 49.57 6.83 29.99 84.43 7.11 29.96 85.20 ULMN 3 1gdo_c01 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 2 3 # 2 D 1 CYH B 57 CYH^? 12.18 O4 SO4 B 229 D 98 ASN B 60 ASN^? 17.59 O1 SO4 B 229 D 99 GLY B 61 GLY^? 18.77 O1 SO4 B 229 coo 45.17 35.76 43.57 47.17 33.90 42.78 1.42 21.45 91.40 -0.02 23.70 92.33 coo 44.24 40.01 45.19 43.94 39.25 43.24 1.10 20.85 87.08 -0.88 20.02 86.80 coo 44.81 39.60 49.65 44.07 39.23 49.57 5.86 21.10 87.10 5.33 21.40 87.62 1gdo_c01 source 1gdo GLUCOSAMINE 6-PHOSPHATE SYNTHASE : 2 hits 1gdo_c01 naa= 3 ULMN 3 1gdo_c02 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 1 3 # 1 A 1 CYH A 57 CYH^? 11.87 O3 SO4 A 229 A 98 ASN A 60 ASN^? 8.61 O3 SO4 A 231 A 99 GLY A 61 GLY^? 10.88 O4 SO4 A 231 coo 9.96 -7.64 43.39 12.01 -9.40 42.74 9.42 32.30 89.74 9.90 31.16 92.16 coo 9.26 -3.27 45.14 8.86 -4.02 43.23 11.24 30.46 86.13 13.17 31.33 86.46 coo 9.85 -3.74 49.57 9.12 -4.11 49.52 6.83 29.99 84.43 7.11 29.96 85.20 ULMN 3 1gdo_c02 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 2 3 # 2 A 1 CYH B 57 CYH^? 12.18 O4 SO4 B 229 A 98 ASN B 60 ASN^? 17.59 O1 SO4 B 229 A 99 GLY B 61 GLY^? 18.77 O1 SO4 B 229 coo 9.96 -7.64 43.39 12.01 -9.40 42.74 1.42 21.45 91.40 -0.02 23.70 92.33 coo 9.26 -3.27 45.14 8.86 -4.02 43.23 1.10 20.85 87.08 -0.88 20.02 86.80 coo 9.85 -3.74 49.57 9.12 -4.11 49.52 5.86 21.10 87.10 5.33 21.40 87.62 1gdo_c02 source 1gdo GLUCOSAMINE 6-PHOSPHATE SYNTHASE : 2 hits 1gdo_c02 naa= 3 ULMN 3 1gdo_c03 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 1 3 # 1 C 1 CYH A 57 CYH^? 11.87 O3 SO4 A 229 C 98 ASN A 60 ASN^? 8.61 O3 SO4 A 231 C 99 GLY A 61 GLY^? 10.88 O4 SO4 A 231 coo 25.27 14.39 86.45 23.28 16.25 85.80 9.42 32.30 89.74 9.90 31.16 92.16 coo 25.97 10.04 88.17 26.35 10.81 86.26 11.24 30.46 86.13 13.17 31.33 86.46 coo 25.32 10.47 92.61 26.06 10.86 92.54 6.83 29.99 84.43 7.11 29.96 85.20 ULMN 3 1gdo_c03 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 2 3 # 2 C 1 CYH B 57 CYH^? 12.18 O4 SO4 B 229 C 98 ASN B 60 ASN^? 17.59 O1 SO4 B 229 C 99 GLY B 61 GLY^? 18.77 O1 SO4 B 229 coo 25.27 14.39 86.45 23.28 16.25 85.80 1.42 21.45 91.40 -0.02 23.70 92.33 coo 25.97 10.04 88.17 26.35 10.81 86.26 1.10 20.85 87.08 -0.88 20.02 86.80 coo 25.32 10.47 92.61 26.06 10.86 92.54 5.86 21.10 87.10 5.33 21.40 87.62 1gdo_c03 source 1gdo GLUCOSAMINE 6-PHOSPHATE SYNTHASE : 2 hits 1gdo_c03 naa= 3 ULMN 3 1gim_c00 ADENYLOSUCCINATE SYNTHETASE user 1 3 # 1 13 ASP A 120 ASP^? 7.17 O2 SO4 A 229 41 HIS A 97 HIS^? 10.66 O4 SO4 A 229 224 GLN A 184 GLN^? 16.35 O2 SO4 A 229 coo -3.80 50.71 49.48 -5.59 51.85 49.27 9.29 47.78 99.49 7.80 47.36 98.01 coo -6.45 47.32 41.99 -8.32 46.87 42.83 7.24 52.04 104.47 6.71 50.18 103.67 coo -12.35 49.13 49.89 -13.38 48.89 48.03 4.04 54.49 93.49 5.30 54.66 91.80 1gim_c00 source 1gim ADENYLOSUCCINATE SYNTHETASE : 1 hits 1gim_c00 naa= 3 ULMN 3 1grc_c02 GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMuser 1 3 # 1 A 106 ASN B 159 ASN^? 12.45 O3 SO4 B 229 A 108 HIS B 97 HIS^? 12.49 O3 SO4 B 229 A 144 ASP B 120 ASP^? 8.68 O3 SO4 B 229 coo 51.28 61.14 17.85 51.16 61.61 19.96 -2.29 16.97 120.14 -2.10 17.25 118.07 coo 52.62 57.63 23.12 50.77 57.51 22.26 -3.31 12.76 116.75 -2.66 14.35 115.55 coo 46.65 56.95 20.09 48.42 58.17 20.01 -4.32 17.92 112.37 -3.28 16.49 113.53 1grc_c02 source 1grc GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE (E.C: 1 hits 1grc_c02 naa= 3 ULMN 3 1gz6_c00 ESTRADIOL 17 BETA-DEHYDROGENASE 4 user 1 3 # 1 A 151 SER A 32 SER^? 6.95 O3 SO4 A 230 A 164 TYR A 45 TYR^? 12.83 O3 SO4 A 229 A 168 LYS A 35 LYS^? 11.43 O2 SO4 A 230 coo 32.37 52.40 49.35 31.32 53.88 47.74 -9.65 37.25 100.15 -11.63 37.02 101.57 coo 29.69 55.04 42.83 31.98 53.56 43.49 -3.49 33.26 97.33 -5.14 35.38 96.58 coo 26.96 50.99 47.03 31.03 48.83 44.33 -9.76 35.16 95.20 -10.16 29.64 98.57 ULMN 3 1gz6_c00 ESTRADIOL 17 BETA-DEHYDROGENASE 4 user 2 3 # 2 A 151 SER A 227 SER^? 9.64 O2 SO4 A 230 A 164 TYR A 45 TYR^? 12.83 O3 SO4 A 229 A 168 LYS A 35 LYS^? 11.43 O2 SO4 A 230 coo 32.37 52.40 49.35 31.32 53.88 47.74 -11.19 33.23 102.79 -12.58 31.68 101.59 coo 29.69 55.04 42.83 31.98 53.56 43.49 -3.49 33.26 97.33 -5.14 35.38 96.58 coo 26.96 50.99 47.03 31.03 48.83 44.33 -9.76 35.16 95.20 -10.16 29.64 98.57 ULMN 3 1gz6_c00 ESTRADIOL 17 BETA-DEHYDROGENASE 4 user 3 3 # 3 A 151 SER B 32 SER^? 18.05 O1 SO4 B 229 A 164 TYR B 45 TYR^? 13.10 O4 SO4 B 229 A 168 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo 32.37 52.40 49.35 31.32 53.88 47.74 14.02 25.45 109.10 14.28 25.64 111.53 coo 29.69 55.04 42.83 31.98 53.56 43.49 10.04 26.44 102.60 11.44 24.36 103.85 coo 26.96 50.99 47.03 31.03 48.83 44.33 16.47 24.53 104.57 15.75 30.78 103.34 ULMN 3 1gz6_c00 ESTRADIOL 17 BETA-DEHYDROGENASE 4 user 4 3 # 4 A 151 SER B 227 SER^? 13.75 O1 SO4 A 229 A 164 TYR B 45 TYR^? 13.10 O4 SO4 B 229 A 168 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo 32.37 52.40 49.35 31.32 53.88 47.74 14.71 30.25 109.72 16.59 31.22 108.47 coo 29.69 55.04 42.83 31.98 53.56 43.49 10.04 26.44 102.60 11.44 24.36 103.85 coo 26.96 50.99 47.03 31.03 48.83 44.33 16.47 24.53 104.57 15.75 30.78 103.34 1gz6_c00 source 1gz6 ESTRADIOL 17 BETA-DEHYDROGENASE 4 : 4 hits 1gz6_c00 naa= 3 ULMN 3 1gz6_c01 ESTRADIOL 17 BETA-DEHYDROGENASE 4 user 1 3 # 1 B 151 SER A 32 SER^? 6.95 O3 SO4 A 230 B 164 TYR A 45 TYR^? 12.83 O3 SO4 A 229 B 168 LYS A 35 LYS^? 11.43 O2 SO4 A 230 coo 13.08 50.93 56.67 13.12 48.99 55.27 -9.65 37.25 100.15 -11.63 37.02 101.57 coo 11.52 46.03 51.32 10.06 47.90 52.76 -3.49 33.26 97.33 -5.14 35.38 96.58 coo 15.72 50.86 51.22 10.77 52.35 51.39 -9.76 35.16 95.20 -10.16 29.64 98.57 ULMN 3 1gz6_c01 ESTRADIOL 17 BETA-DEHYDROGENASE 4 user 2 3 # 2 B 151 SER B 32 SER^? 18.05 O1 SO4 B 229 B 164 TYR B 45 TYR^? 13.10 O4 SO4 B 229 B 168 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo 13.08 50.93 56.67 13.12 48.99 55.27 14.02 25.45 109.10 14.28 25.64 111.53 coo 11.52 46.03 51.32 10.06 47.90 52.76 10.04 26.44 102.60 11.44 24.36 103.85 coo 15.72 50.86 51.22 10.77 52.35 51.39 16.47 24.53 104.57 15.75 30.78 103.34 ULMN 3 1gz6_c01 ESTRADIOL 17 BETA-DEHYDROGENASE 4 user 3 3 # 3 B 151 SER B 227 SER^? 13.75 O1 SO4 A 229 B 164 TYR B 45 TYR^? 13.10 O4 SO4 B 229 B 168 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo 13.08 50.93 56.67 13.12 48.99 55.27 14.71 30.25 109.72 16.59 31.22 108.47 coo 11.52 46.03 51.32 10.06 47.90 52.76 10.04 26.44 102.60 11.44 24.36 103.85 coo 15.72 50.86 51.22 10.77 52.35 51.39 16.47 24.53 104.57 15.75 30.78 103.34 1gz6_c01 source 1gz6 ESTRADIOL 17 BETA-DEHYDROGENASE 4 : 3 hits 1gz6_c01 naa= 3 ULMN 3 1gz6_c02 ESTRADIOL 17 BETA-DEHYDROGENASE 4 user 1 3 # 1 C 151 SER A 32 SER^? 6.95 O3 SO4 A 230 C 164 TYR A 45 TYR^? 12.83 O3 SO4 A 229 C 168 LYS A 35 LYS^? 11.43 O2 SO4 A 230 coo 11.22 34.38 82.32 11.07 36.29 83.78 -9.65 37.25 100.15 -11.63 37.02 101.57 coo 8.83 39.27 87.38 7.60 37.43 85.69 -3.49 33.26 97.33 -5.14 35.38 96.58 coo 12.98 34.46 88.14 8.11 32.96 87.14 -9.76 35.16 95.20 -10.16 29.64 98.57 ULMN 3 1gz6_c02 ESTRADIOL 17 BETA-DEHYDROGENASE 4 user 2 3 # 2 C 151 SER B 32 SER^? 18.05 O1 SO4 B 229 C 164 TYR B 45 TYR^? 13.10 O4 SO4 B 229 C 168 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo 11.22 34.38 82.32 11.07 36.29 83.78 14.02 25.45 109.10 14.28 25.64 111.53 coo 8.83 39.27 87.38 7.60 37.43 85.69 10.04 26.44 102.60 11.44 24.36 103.85 coo 12.98 34.46 88.14 8.11 32.96 87.14 16.47 24.53 104.57 15.75 30.78 103.34 ULMN 3 1gz6_c02 ESTRADIOL 17 BETA-DEHYDROGENASE 4 user 3 3 # 3 C 151 SER B 227 SER^? 13.75 O1 SO4 A 229 C 164 TYR B 45 TYR^? 13.10 O4 SO4 B 229 C 168 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo 11.22 34.38 82.32 11.07 36.29 83.78 14.71 30.25 109.72 16.59 31.22 108.47 coo 8.83 39.27 87.38 7.60 37.43 85.69 10.04 26.44 102.60 11.44 24.36 103.85 coo 12.98 34.46 88.14 8.11 32.96 87.14 16.47 24.53 104.57 15.75 30.78 103.34 1gz6_c02 source 1gz6 ESTRADIOL 17 BETA-DEHYDROGENASE 4 : 3 hits 1gz6_c02 naa= 3 ULMN 3 1gz6_c03 ESTRADIOL 17 BETA-DEHYDROGENASE 4 user 1 3 # 1 D 151 SER A 32 SER^? 6.95 O3 SO4 A 230 D 164 TYR A 45 TYR^? 12.83 O3 SO4 A 229 D 168 LYS A 35 LYS^? 11.43 O2 SO4 A 230 coo 29.15 32.90 92.57 27.86 31.44 94.02 -9.65 37.25 100.15 -11.63 37.02 101.57 coo 25.49 30.28 98.59 27.88 31.73 98.26 -3.49 33.26 97.33 -5.14 35.38 96.58 coo 23.46 34.31 94.02 27.08 36.46 97.29 -9.76 35.16 95.20 -10.16 29.64 98.57 ULMN 3 1gz6_c03 ESTRADIOL 17 BETA-DEHYDROGENASE 4 user 2 3 # 2 D 151 SER A 227 SER^? 9.64 O2 SO4 A 230 D 164 TYR A 45 TYR^? 12.83 O3 SO4 A 229 D 168 LYS A 35 LYS^? 11.43 O2 SO4 A 230 coo 29.15 32.90 92.57 27.86 31.44 94.02 -11.19 33.23 102.79 -12.58 31.68 101.59 coo 25.49 30.28 98.59 27.88 31.73 98.26 -3.49 33.26 97.33 -5.14 35.38 96.58 coo 23.46 34.31 94.02 27.08 36.46 97.29 -9.76 35.16 95.20 -10.16 29.64 98.57 ULMN 3 1gz6_c03 ESTRADIOL 17 BETA-DEHYDROGENASE 4 user 3 3 # 3 D 151 SER B 32 SER^? 18.05 O1 SO4 B 229 D 164 TYR B 45 TYR^? 13.10 O4 SO4 B 229 D 168 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo 29.15 32.90 92.57 27.86 31.44 94.02 14.02 25.45 109.10 14.28 25.64 111.53 coo 25.49 30.28 98.59 27.88 31.73 98.26 10.04 26.44 102.60 11.44 24.36 103.85 coo 23.46 34.31 94.02 27.08 36.46 97.29 16.47 24.53 104.57 15.75 30.78 103.34 ULMN 3 1gz6_c03 ESTRADIOL 17 BETA-DEHYDROGENASE 4 user 4 3 # 4 D 151 SER B 227 SER^? 13.75 O1 SO4 A 229 D 164 TYR B 45 TYR^? 13.10 O4 SO4 B 229 D 168 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo 29.15 32.90 92.57 27.86 31.44 94.02 14.71 30.25 109.72 16.59 31.22 108.47 coo 25.49 30.28 98.59 27.88 31.73 98.26 10.04 26.44 102.60 11.44 24.36 103.85 coo 23.46 34.31 94.02 27.08 36.46 97.29 16.47 24.53 104.57 15.75 30.78 103.34 1gz6_c03 source 1gz6 ESTRADIOL 17 BETA-DEHYDROGENASE 4 : 4 hits 1gz6_c03 naa= 3 ULMN 3 1h19_c00 LEUKOTRIENE A-4 HYDROLASE user 1 3 # 1 A 271 GLN A 184 GLN^? 16.35 O2 SO4 A 229 A 296 GLU A 74 GLU^? 15.20 O4 SO4 A 231 A 383 TYR A 93 TYR^? 6.38 O2 SO4 A 229 coo 38.07 -1.37 3.28 36.21 -0.34 2.92 4.04 54.49 93.49 5.30 54.66 91.80 coo 40.93 4.45 2.36 38.91 3.75 2.26 6.06 51.55 88.92 5.14 51.51 86.98 coo 30.54 7.22 6.23 31.38 5.79 3.97 1.20 45.36 98.99 3.01 43.25 98.50 ULMN 3 1h19_c00 LEUKOTRIENE A-4 HYDROLASE user 2 3 # 2 A 271 GLN A 224 GLN^? 4.72 O3 SO4 A 230 A 296 GLU A 225 GLU^? 13.76 O3 SO4 A 230 A 383 TYR A 228 TYR^? 12.29 O4 SO4 B 229 coo 38.07 -1.37 3.28 36.21 -0.34 2.92 -16.13 39.14 104.70 -16.99 39.51 102.78 coo 40.93 4.45 2.36 38.91 3.75 2.26 -14.25 35.84 110.00 -12.75 37.08 110.88 coo 30.54 7.22 6.23 31.38 5.79 3.97 -6.50 33.95 102.32 -5.45 34.14 104.92 ULMN 3 1h19_c00 LEUKOTRIENE A-4 HYDROLASE user 3 3 # 3 A 271 GLN B 184 GLN^? 15.80 O1 SO4 B 229 A 296 GLU B 74 GLU^? 16.10 O1 SO4 B 229 A 383 TYR B 93 TYR^? -6.26 O1 SO4 B 229s coo 38.07 -1.37 3.28 36.21 -0.34 2.92 1.89 5.54 107.57 1.24 4.64 105.75 coo 40.93 4.45 2.36 38.91 3.75 2.26 0.29 5.91 102.04 1.64 4.74 100.89 coo 30.54 7.22 6.23 31.38 5.79 3.97 3.42 16.10 108.71 2.04 17.62 106.85 ULMN 3 1h19_c00 LEUKOTRIENE A-4 HYDROLASE user 4 3 # 4 A 271 GLN B 224 GLN^? 22.59 O1 SO4 A 229 A 296 GLU B 225 GLU^? 19.49 O1 SO4 A 229 A 383 TYR B 228 TYR^? 12.23 O3 SO4 A 229 coo 38.07 -1.37 3.28 36.21 -0.34 2.92 17.58 26.13 117.01 19.05 25.80 115.50 coo 40.93 4.45 2.36 38.91 3.75 2.26 14.37 32.38 117.86 15.62 34.05 118.38 coo 30.54 7.22 6.23 31.38 5.79 3.97 10.57 28.77 107.84 8.55 29.75 109.51 1h19_c00 source 1h19 LEUKOTRIENE A-4 HYDROLASE : 4 hits 1h19_c00 naa= 3 ULMN 3 1h2r_c00 PERIPLASMIC [NIFE] HYDROGENASE LARGEuser 1 3 # 1 S 18 THR A 174 THR^? 23.51 O4 SO4 A 229 L 34 GLU A 172 GLU^? 26.58 O4 SO4 A 229 L 546 CYH A 101 CYH^? 24.07 O4 SO4 A 229 coo 59.66 41.78 78.85 58.82 40.81 80.62 9.67 60.80 110.54 11.14 62.31 110.21 coo 58.67 42.52 83.67 60.77 42.68 84.14 13.47 60.86 115.95 13.70 62.79 115.15 coo 58.67 44.02 88.31 58.41 45.45 86.02 16.31 57.21 114.20 15.99 59.89 113.39 ULMN 3 1h2r_c00 PERIPLASMIC [NIFE] HYDROGENASE LARGEuser 2 3 # 2 S 18 THR B 174 THR^? 25.73 O3 SO4 B 229 L 34 GLU B 172 GLU^? 30.08 O3 SO4 B 229 L 546 CYH B 101 CYH^? 26.55 O3 SO4 B 229 coo 59.66 41.78 78.85 58.82 40.81 80.62 -5.56 5.50 124.83 -7.14 3.99 124.85 coo 58.67 42.52 83.67 60.77 42.68 84.14 -11.19 5.19 128.37 -11.78 3.12 128.47 coo 58.67 44.02 88.31 58.41 45.45 86.02 -13.61 9.02 126.06 -13.33 6.29 125.42 1h2r_c00 source 1h2r PERIPLASMIC [NIFE] HYDROGENASE LARGE SUBUNIT : 2 hits 1h2r_c00 naa= 3 ULMN 3 1hrk_c00 FERROCHELATASE user 1 3 # 1 A 263 HIS B 91 HIS^? 17.45 O3 SO4 B 229 A 341 HIS B 97 HIS^? 12.49 O3 SO4 B 229 A 343 GLU B 96 GLU^? 19.06 O3 SO4 B 229 coo -7.51 11.15 -5.64 -7.46 12.01 -7.55 5.92 11.10 116.67 5.40 9.21 117.42 coo -13.42 15.96 -0.70 -12.26 14.22 -0.51 -3.31 12.76 116.75 -2.66 14.35 115.55 coo -12.27 12.54 -3.93 -10.42 12.14 -2.95 1.17 9.30 120.04 2.75 8.18 119.17 ULMN 3 1hrk_c00 FERROCHELATASE user 2 3 # 2 A 263 HIS B 97 HIS^? 12.49 O3 SO4 B 229 A 341 HIS B 91 HIS^? 17.45 O3 SO4 B 229 A 343 GLU B 96 GLU^? 19.06 O3 SO4 B 229 coo -7.51 11.15 -5.64 -7.46 12.01 -7.55 -3.31 12.76 116.75 -2.66 14.35 115.55 coo -13.42 15.96 -0.70 -12.26 14.22 -0.51 5.92 11.10 116.67 5.40 9.21 117.42 coo -12.27 12.54 -3.93 -10.42 12.14 -2.95 1.17 9.30 120.04 2.75 8.18 119.17 1hrk_c00 source 1hrk FERROCHELATASE : 2 hits 1hrk_c00 naa= 3 ULMN 3 1hrk_c01 FERROCHELATASE user 1 3 # 1 B 263 HIS B 91 HIS^? 17.45 O3 SO4 B 229 B 341 HIS B 97 HIS^? 12.49 O3 SO4 B 229 B 343 GLU B 96 GLU^? 19.06 O3 SO4 B 229 coo 9.02 -11.22 -5.68 8.99 -12.08 -7.60 5.92 11.10 116.67 5.40 9.21 117.42 coo 15.00 -16.00 -0.85 13.84 -14.26 -0.68 -3.31 12.76 116.75 -2.66 14.35 115.55 coo 13.74 -12.51 -4.08 11.92 -12.19 -3.04 1.17 9.30 120.04 2.75 8.18 119.17 ULMN 3 1hrk_c01 FERROCHELATASE user 2 3 # 2 B 263 HIS B 97 HIS^? 12.49 O3 SO4 B 229 B 341 HIS B 91 HIS^? 17.45 O3 SO4 B 229 B 343 GLU B 96 GLU^? 19.06 O3 SO4 B 229 coo 9.02 -11.22 -5.68 8.99 -12.08 -7.60 -3.31 12.76 116.75 -2.66 14.35 115.55 coo 15.00 -16.00 -0.85 13.84 -14.26 -0.68 5.92 11.10 116.67 5.40 9.21 117.42 coo 13.74 -12.51 -4.08 11.92 -12.19 -3.04 1.17 9.30 120.04 2.75 8.18 119.17 1hrk_c01 source 1hrk FERROCHELATASE : 2 hits 1hrk_c01 naa= 3 ULMN 3 1hto_c00 GLUTAMINE SYNTHETASE user 1 3 # 1 A 50 ASP A 64 ASP^? 16.48 O4 SO4 A 231 A 327 GLU A 105 GLU^? 30.13 O4 SO4 A 229 A 339 ARG A 102 ARG^? 26.30 O1 SO4 A 229 coo 85.81 57.99 116.01 86.03 55.86 115.89 -0.89 32.13 86.35 -1.06 30.06 86.04 coo 75.11 41.01 160.30 76.65 40.06 161.41 20.63 62.21 117.15 22.45 61.29 117.66 coo 82.23 40.35 159.87 85.09 40.67 161.01 20.87 56.76 118.88 22.55 56.51 116.31 ULMN 3 1hto_c00 GLUTAMINE SYNTHETASE user 2 3 # 2 A 50 ASP A 126 ASP^? 16.24 O1 SO4 A 229 A 327 GLU B 187 GLU^? 15.82 O1 SO4 B 229 A 339 ARG B 70 ARG^? 17.55 O1 SO4 B 229 coo 85.81 57.99 116.01 86.03 55.86 115.89 18.12 53.54 96.53 19.31 51.77 96.80 coo 75.11 41.01 160.30 76.65 40.06 161.41 5.79 8.67 109.77 5.71 6.74 108.88 coo 82.23 40.35 159.87 85.09 40.67 161.01 4.92 7.16 103.42 6.42 4.45 103.73 ULMN 3 1hto_c00 GLUTAMINE SYNTHETASE user 3 3 # 3 A 50 ASP A 131 ASP^? 27.86 O1 SO4 A 231 A 327 GLU A 223 GLU^? 14.08 O3 SO4 A 230 A 339 ARG A 218 ARG^? -3.99 O3 SO4 A 230s coo 85.81 57.99 116.01 86.03 55.86 115.89 23.62 62.30 95.31 25.14 61.71 93.92 coo 75.11 41.01 160.30 76.65 40.06 161.41 -17.87 45.35 109.10 -19.33 45.72 110.62 coo 82.23 40.35 159.87 85.09 40.67 161.01 -18.37 44.02 103.00 -17.96 43.09 100.10 ULMN 3 1hto_c00 GLUTAMINE SYNTHETASE user 4 3 # 4 A 50 ASP A 196 ASP^? 13.16 O4 SO4 A 231 A 327 GLU A 105 GLU^? 30.13 O4 SO4 A 229 A 339 ARG A 102 ARG^? 26.30 O1 SO4 A 229 coo 85.81 57.99 116.01 86.03 55.86 115.89 1.09 35.34 80.24 -0.14 33.75 80.95 coo 75.11 41.01 160.30 76.65 40.06 161.41 20.63 62.21 117.15 22.45 61.29 117.66 coo 82.23 40.35 159.87 85.09 40.67 161.01 20.87 56.76 118.88 22.55 56.51 116.31 ULMN 3 1hto_c00 GLUTAMINE SYNTHETASE user 5 3 # 5 A 50 ASP A 208 ASP^? 7.66 O1 SO4 A 230 A 327 GLU A 105 GLU^? 30.13 O4 SO4 A 229 A 339 ARG A 102 ARG^? 26.30 O1 SO4 A 229 coo 85.81 57.99 116.01 86.03 55.86 115.89 -15.69 43.98 89.75 -16.79 45.74 90.29 coo 75.11 41.01 160.30 76.65 40.06 161.41 20.63 62.21 117.15 22.45 61.29 117.66 coo 82.23 40.35 159.87 85.09 40.67 161.01 20.87 56.76 118.88 22.55 56.51 116.31 ULMN 3 1hto_c00 GLUTAMINE SYNTHETASE user 6 3 # 6 A 50 ASP B 115 ASP^? 13.85 O3 SO4 B 229 A 327 GLU A 172 GLU^? 26.58 O4 SO4 A 229 A 339 ARG A 102 ARG^? 26.30 O1 SO4 A 229 coo 85.81 57.99 116.01 86.03 55.86 115.89 -12.10 21.41 116.25 -11.91 23.51 116.16 coo 75.11 41.01 160.30 76.65 40.06 161.41 13.47 60.86 115.95 13.70 62.79 115.15 coo 82.23 40.35 159.87 85.09 40.67 161.01 20.87 56.76 118.88 22.55 56.51 116.31 ULMN 3 1hto_c00 GLUTAMINE SYNTHETASE user 7 3 # 7 A 50 ASP B 120 ASP^? 8.68 O3 SO4 B 229 A 327 GLU A 172 GLU^? 26.58 O4 SO4 A 229 A 339 ARG A 102 ARG^? 26.30 O1 SO4 A 229 coo 85.81 57.99 116.01 86.03 55.86 115.89 -4.32 17.92 112.37 -3.28 16.49 113.53 coo 75.11 41.01 160.30 76.65 40.06 161.41 13.47 60.86 115.95 13.70 62.79 115.15 coo 82.23 40.35 159.87 85.09 40.67 161.01 20.87 56.76 118.88 22.55 56.51 116.31 ULMN 3 1hto_c00 GLUTAMINE SYNTHETASE user 8 3 # 8 A 50 ASP B 178 ASP^? 25.38 O3 SO4 B 229 A 327 GLU A 223 GLU^? 14.08 O3 SO4 A 230 A 339 ARG A 218 ARG^? -3.99 O3 SO4 A 230s coo 85.81 57.99 116.01 86.03 55.86 115.89 -4.63 -0.65 116.57 -5.43 -2.30 115.50 coo 75.11 41.01 160.30 76.65 40.06 161.41 -17.87 45.35 109.10 -19.33 45.72 110.62 coo 82.23 40.35 159.87 85.09 40.67 161.01 -18.37 44.02 103.00 -17.96 43.09 100.10 ULMN 3 1hto_c00 GLUTAMINE SYNTHETASE user 9 3 # 9 A 50 ASP B 195 ASP^? 23.57 O1 SO4 B 229 A 327 GLU A 223 GLU^? 14.08 O3 SO4 A 230 A 339 ARG A 218 ARG^? -3.99 O3 SO4 A 230s coo 85.81 57.99 116.01 86.03 55.86 115.89 10.49 11.54 85.09 9.59 13.42 84.64 coo 75.11 41.01 160.30 76.65 40.06 161.41 -17.87 45.35 109.10 -19.33 45.72 110.62 coo 82.23 40.35 159.87 85.09 40.67 161.01 -18.37 44.02 103.00 -17.96 43.09 100.10 1hto_c00 source 1hto GLUTAMINE SYNTHETASE : 9 hits 1hto_c00 naa= 3 ULMN 3 1i19_c00 CHOLESTEROL OXIDASE user 1 3 # 1 A 311 GLU A 87 GLU^? 17.80 O2 SO4 A 229 A 475 GLU A 187 GLU^? 15.53 O2 SO4 A 229 A 477 ARG A 70 ARG^? 17.64 O2 SO4 A 229 coo 13.27 46.15 59.96 13.96 44.19 59.76 -1.36 49.08 88.76 -0.85 50.53 87.31 coo 9.69 44.01 59.12 10.58 42.11 58.89 -0.92 50.23 94.11 -1.07 51.49 92.41 coo 13.49 45.17 55.56 13.84 42.22 54.75 2.37 50.83 90.43 1.13 53.29 89.13 ULMN 3 1i19_c00 CHOLESTEROL OXIDASE user 2 3 # 2 A 311 GLU A 187 GLU^? 15.53 O2 SO4 A 229 A 475 GLU A 87 GLU^? 17.80 O2 SO4 A 229 A 477 ARG A 70 ARG^? 17.64 O2 SO4 A 229 coo 13.27 46.15 59.96 13.96 44.19 59.76 -0.92 50.23 94.11 -1.07 51.49 92.41 coo 9.69 44.01 59.12 10.58 42.11 58.89 -1.36 49.08 88.76 -0.85 50.53 87.31 coo 13.49 45.17 55.56 13.84 42.22 54.75 2.37 50.83 90.43 1.13 53.29 89.13 1i19_c00 source 1i19 CHOLESTEROL OXIDASE : 2 hits 1i19_c00 naa= 3 ULMN 3 1i19_c01 CHOLESTEROL OXIDASE user 1 3 # 1 B 311 GLU A 87 GLU^? 17.80 O2 SO4 A 229 B 475 GLU A 187 GLU^? 15.53 O2 SO4 A 229 B 477 ARG A 70 ARG^? 17.64 O2 SO4 A 229 coo 42.69 29.93 84.57 42.00 28.96 82.83 -1.36 49.08 88.76 -0.85 50.53 87.31 coo 46.14 28.45 82.89 45.10 27.86 81.15 -0.92 50.23 94.11 -1.07 51.49 92.41 coo 42.47 25.53 85.29 42.25 23.66 82.85 2.37 50.83 90.43 1.13 53.29 89.13 ULMN 3 1i19_c01 CHOLESTEROL OXIDASE user 2 3 # 2 B 311 GLU A 187 GLU^? 15.53 O2 SO4 A 229 B 475 GLU A 87 GLU^? 17.80 O2 SO4 A 229 B 477 ARG A 70 ARG^? 17.64 O2 SO4 A 229 coo 42.69 29.93 84.57 42.00 28.96 82.83 -0.92 50.23 94.11 -1.07 51.49 92.41 coo 46.14 28.45 82.89 45.10 27.86 81.15 -1.36 49.08 88.76 -0.85 50.53 87.31 coo 42.47 25.53 85.29 42.25 23.66 82.85 2.37 50.83 90.43 1.13 53.29 89.13 1i19_c01 source 1i19 CHOLESTEROL OXIDASE : 2 hits 1i19_c01 naa= 3 ULMN 3 1i1e_c00 BOTULINUM NEUROTOXIN TYPE B user 1 3 # 1 A 267 GLU A 28 GLU^? 15.00 O4 SO4 A 229 A 369 ARG B 49 ARG^? -5.45 O4 SO4 B 229s A 372 TYR A 228 TYR^? 12.29 O4 SO4 B 229 coo 16.47 7.99 31.03 17.36 6.90 32.63 -5.36 37.58 106.38 -6.12 37.04 108.31 coo 18.73 -1.52 28.96 15.88 -0.55 29.44 -5.59 26.20 104.46 -4.44 26.24 107.34 coo 16.01 4.58 27.39 13.82 5.38 28.94 -6.50 33.95 102.32 -5.45 34.14 104.92 1i1e_c00 source 1i1e BOTULINUM NEUROTOXIN TYPE B : 1 hits 1i1e_c00 naa= 3 ULMN 3 1i29_c03 CSDB user 1 3 # 1 A 128 VAL A 55 VAL^? 9.32 O4 SO4 A 231 A 200 ASP A 64 ASP^? 16.48 O4 SO4 A 231 A 226 LYS A 35 LYS^? 11.43 O2 SO4 A 230 coo 19.13 38.05 1.41 19.72 38.80 -0.53 8.94 37.60 90.34 8.88 39.78 89.95 coo 24.51 43.28 11.18 25.17 44.50 9.58 -0.89 32.13 86.35 -1.06 30.06 86.04 coo 34.47 51.09 7.19 28.58 51.18 7.53 -9.76 35.16 95.20 -10.16 29.64 98.57 ULMN 3 1i29_c03 CSDB user 2 3 # 2 A 128 VAL A 62 VAL^? 13.93 O4 SO4 A 231 A 200 ASP B 64 ASP^? 18.27 O3 SO4 A 231 A 226 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo 19.13 38.05 1.41 19.72 38.80 -0.53 6.18 28.68 87.93 7.55 28.27 89.60 coo 24.51 43.28 11.18 25.17 44.50 9.58 12.23 21.46 92.76 12.58 23.03 91.40 coo 34.47 51.09 7.19 28.58 51.18 7.53 16.47 24.53 104.57 15.75 30.78 103.34 ULMN 3 1i29_c03 CSDB user 3 3 # 3 A 128 VAL A 194 VAL^? 7.46 O4 SO4 A 231 A 200 ASP A 64 ASP^? 16.48 O4 SO4 A 231 A 226 LYS A 35 LYS^? 11.43 O2 SO4 A 230 coo 19.13 38.05 1.41 19.72 38.80 -0.53 4.42 40.15 79.34 5.75 41.41 78.07 coo 24.51 43.28 11.18 25.17 44.50 9.58 -0.89 32.13 86.35 -1.06 30.06 86.04 coo 34.47 51.09 7.19 28.58 51.18 7.53 -9.76 35.16 95.20 -10.16 29.64 98.57 ULMN 3 1i29_c03 CSDB user 4 3 # 4 A 128 VAL B 55 VAL^? 9.81 O1 SO4 B 229 A 200 ASP B 64 ASP^? 18.27 O3 SO4 A 231 A 226 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo 19.13 38.05 1.41 19.72 38.80 -0.53 1.17 17.40 94.93 0.12 15.77 96.01 coo 24.51 43.28 11.18 25.17 44.50 9.58 12.23 21.46 92.76 12.58 23.03 91.40 coo 34.47 51.09 7.19 28.58 51.18 7.53 16.47 24.53 104.57 15.75 30.78 103.34 ULMN 3 1i29_c03 CSDB user 5 3 # 5 A 128 VAL B 62 VAL^? 15.98 O4 SO4 B 229 A 200 ASP A 64 ASP^? 16.48 O4 SO4 A 231 A 226 LYS A 35 LYS^? 11.43 O2 SO4 A 230 coo 19.13 38.05 1.41 19.72 38.80 -0.53 5.10 24.02 89.40 3.24 25.07 89.98 coo 24.51 43.28 11.18 25.17 44.50 9.58 -0.89 32.13 86.35 -1.06 30.06 86.04 coo 34.47 51.09 7.19 28.58 51.18 7.53 -9.76 35.16 95.20 -10.16 29.64 98.57 ULMN 3 1i29_c03 CSDB user 6 3 # 6 A 128 VAL B 67 VAL^? 8.54 O1 SO4 B 229 A 200 ASP B 52 ASP^? 8.63 O2 SO4 B 229 A 226 LYS B 122 LYS^? 11.60 O2 SO4 B 229 coo 19.13 38.05 1.41 19.72 38.80 -0.53 6.27 18.32 101.83 7.47 19.11 103.52 coo 24.51 43.28 11.18 25.17 44.50 9.58 -5.20 17.74 96.96 -6.16 15.91 97.49 coo 34.47 51.09 7.19 28.58 51.18 7.53 -10.43 15.56 110.86 -13.65 15.21 106.31 ULMN 3 1i29_c03 CSDB user 7 3 # 7 A 128 VAL B 194 VAL^? 21.28 O1 SO4 B 229 A 200 ASP B 64 ASP^? 18.27 O3 SO4 A 231 A 226 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo 19.13 38.05 1.41 19.72 38.80 -0.53 9.59 10.36 89.69 8.77 8.44 89.03 coo 24.51 43.28 11.18 25.17 44.50 9.58 12.23 21.46 92.76 12.58 23.03 91.40 coo 34.47 51.09 7.19 28.58 51.18 7.53 16.47 24.53 104.57 15.75 30.78 103.34 1i29_c03 source 1i29 CSDB : 7 hits 1i29_c03 naa= 3 ULMN 3 1ig8_c00 HEXOKINASE PII user 1 3 # 1 A 158 SER A 118 SER^? 6.22 O1 SO4 A 229 A 173 ARG A 54 ARG^? -2.64 O2 SO4 A 229s A 211 ASP A 115 ASP^? 8.58 O1 SO4 A 229 coo 22.72 76.24 0.23 24.60 76.86 -1.25 12.94 43.53 101.47 11.74 45.37 102.38 coo 18.77 77.82 11.69 20.55 80.22 10.73 5.30 36.31 96.12 6.03 38.74 97.87 coo 26.87 77.59 -3.91 27.39 79.28 -2.83 15.77 43.56 105.82 15.72 41.47 106.14 ULMN 3 1ig8_c00 HEXOKINASE PII user 2 3 # 2 A 158 SER A 132 SER^? 26.46 O1 SO4 A 229 A 173 ARG A 111 ARG^? 23.82 O1 SO4 A 229 A 211 ASP A 131 ASP^? 27.86 O1 SO4 A 231 coo 22.72 76.24 0.23 24.60 76.86 -1.25 24.34 61.20 100.14 23.88 61.78 102.50 coo 18.77 77.82 11.69 20.55 80.22 10.73 27.79 53.22 110.53 27.99 50.20 111.12 coo 26.87 77.59 -3.91 27.39 79.28 -2.83 23.62 62.30 95.31 25.14 61.71 93.92 ULMN 3 1ig8_c00 HEXOKINASE PII user 3 3 # 3 A 158 SER B 116 SER^? 14.92 O3 SO4 B 229 A 173 ARG B 49 ARG^? -5.45 O4 SO4 B 229s A 211 ASP B 138 ASP^? 17.24 O3 SO4 B 229 coo 22.72 76.24 0.23 24.60 76.86 -1.25 -14.36 21.91 112.03 -15.99 23.77 112.13 coo 18.77 77.82 11.69 20.55 80.22 10.73 -5.59 26.20 104.46 -4.44 26.24 107.34 coo 26.87 77.59 -3.91 27.39 79.28 -2.83 -19.34 21.74 114.74 -17.84 23.07 113.94 1ig8_c00 source 1ig8 HEXOKINASE PII : 3 hits 1ig8_c00 naa= 3 ULMN 3 1inp_c02 INOSITOL POLYPHOSPHATE 1-PHOSPHATASEuser 1 3 # 1 54 ASP A 120 ASP^? 7.17 O2 SO4 A 229 158 THR A 125 THR^? 15.07 O1 SO4 A 229 317 ASP A 179 ASP^? 20.51 O2 SO4 A 229 coo -2.63 8.40 35.07 -3.66 9.81 36.17 9.29 47.78 99.49 7.80 47.36 98.01 coo -5.30 12.75 41.86 -4.34 13.05 39.99 16.35 53.57 101.15 17.42 52.35 102.62 coo -12.63 17.64 33.66 -10.65 17.90 34.40 9.62 60.80 96.72 10.25 60.11 94.85 ULMN 3 1inp_c02 INOSITOL POLYPHOSPHATE 1-PHOSPHATASEuser 2 3 # 2 54 ASP A 120 ASP^? 7.17 O2 SO4 A 229 158 THR A 186 THR^? 13.38 O4 SO4 A 229 317 ASP A 179 ASP^? 20.51 O2 SO4 A 229 coo -2.63 8.40 35.07 -3.66 9.81 36.17 9.29 47.78 99.49 7.80 47.36 98.01 coo -5.30 12.75 41.86 -4.34 13.05 39.99 1.54 50.72 99.84 1.17 52.62 100.74 coo -12.63 17.64 33.66 -10.65 17.90 34.40 9.62 60.80 96.72 10.25 60.11 94.85 ULMN 3 1inp_c02 INOSITOL POLYPHOSPHATE 1-PHOSPHATASEuser 3 3 # 3 54 ASP B 120 ASP^? 8.68 O3 SO4 B 229 158 THR B 125 THR^? 15.35 O3 SO4 B 229 317 ASP B 138 ASP^? 17.24 O3 SO4 B 229 coo -2.63 8.40 35.07 -3.66 9.81 36.17 -4.32 17.92 112.37 -3.28 16.49 113.53 coo -5.30 12.75 41.86 -4.34 13.05 39.99 -11.12 11.10 113.25 -12.49 12.54 114.14 coo -12.63 17.64 33.66 -10.65 17.90 34.40 -19.34 21.74 114.74 -17.84 23.07 113.94 1inp_c02 source 1inp INOSITOL POLYPHOSPHATE 1-PHOSPHATASE (1-PTASE): 3 hits 1inp_c02 naa= 3 ULMN 3 1ir3_c02 INSULIN RECEPTOR user 1 3 # 1 A1132 ASP A 2 ASP~? 14.67 O2 SO4 A 230 A1134 ALA A 0 ALA~? 9.58 O2 SO4 A 230 A1137 ASN A -1 ASN~? 7.62 O2 SO4 A 230 coo -27.05 34.58 17.12 -25.81 32.84 17.16 -20.15 34.72 83.71 -22.03 35.03 82.80 coo -20.53 36.39 15.81 -20.80 35.01 16.40 -19.24 32.22 88.85 -19.63 31.35 90.00 coo -23.72 34.69 12.49 -24.32 32.83 13.34 -20.72 36.47 89.14 -19.13 37.89 88.96 ULMN 3 1ir3_c02 INSULIN RECEPTOR user 2 3 # 2 A1132 ASP A 2 ASP~? 14.67 O2 SO4 A 230 A1134 ALA A 0 ALA~? 9.58 O2 SO4 A 230 A1137 ASN A 3 ASN~? 10.01 O2 SO4 A 230 coo -27.05 34.58 17.12 -25.81 32.84 17.16 -20.15 34.72 83.71 -22.03 35.03 82.80 coo -20.53 36.39 15.81 -20.80 35.01 16.40 -19.24 32.22 88.85 -19.63 31.35 90.00 coo -23.72 34.69 12.49 -24.32 32.83 13.34 -15.66 33.12 86.39 -15.82 35.16 86.97 ULMN 3 1ir3_c02 INSULIN RECEPTOR user 3 3 # 3 A1132 ASP A 2 ASP~? 14.67 O2 SO4 A 230 A1134 ALA A 5 ALA~? 17.77 O2 SO4 A 230 A1137 ASN A 3 ASN~? 10.01 O2 SO4 A 230 coo -27.05 34.58 17.12 -25.81 32.84 17.16 -20.15 34.72 83.71 -22.03 35.03 82.80 coo -20.53 36.39 15.81 -20.80 35.01 16.40 -17.17 29.58 80.84 -18.44 30.34 80.45 coo -23.72 34.69 12.49 -24.32 32.83 13.34 -15.66 33.12 86.39 -15.82 35.16 86.97 1ir3_c02 source 1ir3 INSULIN RECEPTOR : 3 hits 1ir3_c02 naa= 3 ULMN 3 1j53_c00 DNA POLYMERASE III, EPSILON CHAIN user 1 3 # 1 A 14 GLU A 143 GLU^? 15.50 O1 SO4 A 229 A 61 GLU B 225 GLU^? 19.49 O1 SO4 A 229 A 162 HIS A 142 HIS^? 12.26 O4 SO4 A 229 coo -1.50 25.58 -6.20 -2.54 26.76 -4.79 19.40 41.86 113.53 20.16 40.92 111.75 coo -4.89 20.85 5.22 -3.95 21.69 6.91 14.37 32.38 117.86 15.62 34.05 118.38 coo -7.53 27.82 -3.33 -8.58 28.59 -1.68 13.21 42.55 113.57 11.63 42.05 112.27 ULMN 3 1j53_c00 DNA POLYMERASE III, EPSILON CHAIN user 2 3 # 2 A 14 GLU B 96 GLU^? 19.06 O3 SO4 B 229 A 61 GLU B 187 GLU^? 15.82 O1 SO4 B 229 A 162 HIS B 97 HIS^? 12.49 O3 SO4 B 229 coo -1.50 25.58 -6.20 -2.54 26.76 -4.79 1.17 9.30 120.04 2.75 8.18 119.17 coo -4.89 20.85 5.22 -3.95 21.69 6.91 5.79 8.67 109.77 5.71 6.74 108.88 coo -7.53 27.82 -3.33 -8.58 28.59 -1.68 -3.31 12.76 116.75 -2.66 14.35 115.55 1j53_c00 source 1j53 DNA POLYMERASE III, EPSILON CHAIN : 2 hits 1j53_c00 naa= 3 ULMN 3 1j70_c00 ATP SULPHURYLASE user 1 3 # 1 A 197 ARG A 117 ARG^? 9.09 O1 SO4 A 229 A 201 HIS A 47 HIS^? 9.70 O3 SO4 A 229 A 204 HIS B 47 HIS^? 9.69 O4 SO4 B 229 coo -32.92 141.33 -11.12 -31.04 140.06 -13.21 15.20 37.23 104.25 15.70 38.54 107.02 coo -19.36 141.46 -7.82 -20.46 139.73 -7.39 0.48 32.34 101.22 -1.58 32.73 101.11 coo -21.65 146.14 -9.69 -22.29 144.59 -10.94 4.75 28.44 103.45 6.59 28.31 104.44 1j70_c00 source 1j70 ATP SULPHURYLASE : 1 hits 1j70_c00 naa= 3 ULMN 3 1j70_c01 ATP SULPHURYLASE user 1 3 # 1 B 197 ARG A 117 ARG^? 9.09 O1 SO4 A 229 B 201 HIS A 47 HIS^? 9.70 O3 SO4 A 229 B 204 HIS B 47 HIS^? 9.69 O4 SO4 B 229 coo -18.85 104.93 27.44 -18.03 106.58 29.88 15.20 37.23 104.25 15.70 38.54 107.02 coo -8.48 114.03 24.38 -10.47 114.55 23.97 0.48 32.34 101.22 -1.58 32.73 101.11 coo -6.99 108.94 26.28 -8.54 109.57 27.55 4.75 28.44 103.45 6.59 28.31 104.44 1j70_c01 source 1j70 ATP SULPHURYLASE : 1 hits 1j70_c01 naa= 3 ULMN 3 1j70_c02 ATP SULPHURYLASE user 1 3 # 1 C 197 ARG A 117 ARG^? 9.09 O1 SO4 A 229 C 201 HIS A 47 HIS^? 9.70 O3 SO4 A 229 C 204 HIS B 47 HIS^? 9.69 O4 SO4 B 229 coo 30.92 14.23 15.70 28.82 13.90 13.48 15.20 37.23 104.25 15.70 38.54 107.02 coo 20.16 5.55 18.86 20.00 7.59 19.34 0.48 32.34 101.22 -1.58 32.73 101.11 coo 24.92 3.29 16.90 24.41 4.92 15.69 4.75 28.44 103.45 6.59 28.31 104.44 1j70_c02 source 1j70 ATP SULPHURYLASE : 1 hits 1j70_c02 naa= 3 ULMN 3 1jqn_c01 PHOSPHOENOLPYRUVATE CARBOXYLASE user 1 3 # 1 A 396 ARG A 102 ARG^? 26.30 O1 SO4 A 229 A 581 ARG A 111 ARG^? 23.82 O1 SO4 A 229 A 713 ARG A 147 ARG^? 22.82 O1 SO4 A 229 coo 23.87 26.44 -10.48 23.95 28.93 -12.26 20.87 56.76 118.88 22.55 56.51 116.31 coo 27.15 35.19 -13.19 28.74 37.24 -14.84 27.79 53.22 110.53 27.99 50.20 111.12 coo 23.13 28.56 -19.97 22.88 27.45 -17.11 24.36 47.03 115.74 26.68 46.87 113.69 ULMN 3 1jqn_c01 PHOSPHOENOLPYRUVATE CARBOXYLASE user 2 3 # 2 A 396 ARG A 102 ARG^? 26.30 O1 SO4 A 229 A 581 ARG A 147 ARG^? 22.82 O1 SO4 A 229 A 713 ARG A 111 ARG^? 23.82 O1 SO4 A 229 coo 23.87 26.44 -10.48 23.95 28.93 -12.26 20.87 56.76 118.88 22.55 56.51 116.31 coo 27.15 35.19 -13.19 28.74 37.24 -14.84 24.36 47.03 115.74 26.68 46.87 113.69 coo 23.13 28.56 -19.97 22.88 27.45 -17.11 27.79 53.22 110.53 27.99 50.20 111.12 ULMN 3 1jqn_c01 PHOSPHOENOLPYRUVATE CARBOXYLASE user 3 3 # 3 A 396 ARG A 111 ARG^? 23.82 O1 SO4 A 229 A 581 ARG A 102 ARG^? 26.30 O1 SO4 A 229 A 713 ARG A 147 ARG^? 22.82 O1 SO4 A 229 coo 23.87 26.44 -10.48 23.95 28.93 -12.26 27.79 53.22 110.53 27.99 50.20 111.12 coo 27.15 35.19 -13.19 28.74 37.24 -14.84 20.87 56.76 118.88 22.55 56.51 116.31 coo 23.13 28.56 -19.97 22.88 27.45 -17.11 24.36 47.03 115.74 26.68 46.87 113.69 ULMN 3 1jqn_c01 PHOSPHOENOLPYRUVATE CARBOXYLASE user 4 3 # 4 A 396 ARG A 111 ARG^? 23.82 O1 SO4 A 229 A 581 ARG A 147 ARG^? 22.82 O1 SO4 A 229 A 713 ARG A 102 ARG^? 26.30 O1 SO4 A 229 coo 23.87 26.44 -10.48 23.95 28.93 -12.26 27.79 53.22 110.53 27.99 50.20 111.12 coo 27.15 35.19 -13.19 28.74 37.24 -14.84 24.36 47.03 115.74 26.68 46.87 113.69 coo 23.13 28.56 -19.97 22.88 27.45 -17.11 20.87 56.76 118.88 22.55 56.51 116.31 ULMN 3 1jqn_c01 PHOSPHOENOLPYRUVATE CARBOXYLASE user 5 3 # 5 A 396 ARG A 147 ARG^? 22.82 O1 SO4 A 229 A 581 ARG A 102 ARG^? 26.30 O1 SO4 A 229 A 713 ARG A 111 ARG^? 23.82 O1 SO4 A 229 coo 23.87 26.44 -10.48 23.95 28.93 -12.26 24.36 47.03 115.74 26.68 46.87 113.69 coo 27.15 35.19 -13.19 28.74 37.24 -14.84 20.87 56.76 118.88 22.55 56.51 116.31 coo 23.13 28.56 -19.97 22.88 27.45 -17.11 27.79 53.22 110.53 27.99 50.20 111.12 ULMN 3 1jqn_c01 PHOSPHOENOLPYRUVATE CARBOXYLASE user 6 3 # 6 A 396 ARG A 147 ARG^? 22.82 O1 SO4 A 229 A 581 ARG A 111 ARG^? 23.82 O1 SO4 A 229 A 713 ARG A 102 ARG^? 26.30 O1 SO4 A 229 coo 23.87 26.44 -10.48 23.95 28.93 -12.26 24.36 47.03 115.74 26.68 46.87 113.69 coo 27.15 35.19 -13.19 28.74 37.24 -14.84 27.79 53.22 110.53 27.99 50.20 111.12 coo 23.13 28.56 -19.97 22.88 27.45 -17.11 20.87 56.76 118.88 22.55 56.51 116.31 ULMN 3 1jqn_c01 PHOSPHOENOLPYRUVATE CARBOXYLASE user 7 3 # 7 A 396 ARG B 147 ARG^? 25.99 O3 SO4 B 229 A 581 ARG B 102 ARG^? 29.89 O3 SO4 B 229 A 713 ARG B 111 ARG^? 27.08 O3 SO4 B 229 coo 23.87 26.44 -10.48 23.95 28.93 -12.26 -21.61 19.82 125.35 -22.38 21.70 123.03 coo 27.15 35.19 -13.19 28.74 37.24 -14.84 -18.79 9.83 130.39 -20.19 10.03 127.65 coo 23.13 28.56 -19.97 22.88 27.45 -17.11 -24.28 12.69 119.80 -25.14 15.67 120.10 ULMN 3 1jqn_c01 PHOSPHOENOLPYRUVATE CARBOXYLASE user 8 3 # 8 A 396 ARG B 147 ARG^? 25.99 O3 SO4 B 229 A 581 ARG B 111 ARG^? 27.08 O3 SO4 B 229 A 713 ARG B 102 ARG^? 29.89 O3 SO4 B 229 coo 23.87 26.44 -10.48 23.95 28.93 -12.26 -21.61 19.82 125.35 -22.38 21.70 123.03 coo 27.15 35.19 -13.19 28.74 37.24 -14.84 -24.28 12.69 119.80 -25.14 15.67 120.10 coo 23.13 28.56 -19.97 22.88 27.45 -17.11 -18.79 9.83 130.39 -20.19 10.03 127.65 1jqn_c01 source 1jqn PHOSPHOENOLPYRUVATE CARBOXYLASE : 8 hits 1jqn_c01 naa= 3 ULMN 3 1js4_c00 ENDO-EXOCELLULASE E4 user 1 3 # 1 A 55 ASP A 115 ASP^? 8.58 O1 SO4 A 229 A 58 ASP A 138 ASP^? 13.32 O1 SO4 A 229 A 424 GLU A 143 GLU^? 15.50 O1 SO4 A 229 coo 58.42 47.76 20.67 58.01 49.10 19.12 15.77 43.56 105.82 15.72 41.47 106.14 coo 58.59 41.80 18.81 58.94 43.89 18.94 23.15 43.17 105.53 21.70 41.96 104.55 coo 52.85 46.34 13.34 54.09 44.97 14.42 19.40 41.86 113.53 20.16 40.92 111.75 ULMN 3 1js4_c00 ENDO-EXOCELLULASE E4 user 2 3 # 2 A 55 ASP A 138 ASP^? 13.32 O1 SO4 A 229 A 58 ASP A 115 ASP^? 8.58 O1 SO4 A 229 A 424 GLU A 143 GLU^? 15.50 O1 SO4 A 229 coo 58.42 47.76 20.67 58.01 49.10 19.12 23.15 43.17 105.53 21.70 41.96 104.55 coo 58.59 41.80 18.81 58.94 43.89 18.94 15.77 43.56 105.82 15.72 41.47 106.14 coo 52.85 46.34 13.34 54.09 44.97 14.42 19.40 41.86 113.53 20.16 40.92 111.75 ULMN 3 1js4_c00 ENDO-EXOCELLULASE E4 user 3 3 # 3 A 55 ASP B 115 ASP^? 13.85 O3 SO4 B 229 A 58 ASP B 138 ASP^? 17.24 O3 SO4 B 229 A 424 GLU B 143 GLU^? 21.40 O3 SO4 B 229 coo 58.42 47.76 20.67 58.01 49.10 19.12 -12.10 21.41 116.25 -11.91 23.51 116.16 coo 58.59 41.80 18.81 58.94 43.89 18.94 -19.34 21.74 114.74 -17.84 23.07 113.94 coo 52.85 46.34 13.34 54.09 44.97 14.42 -16.26 24.40 123.16 -17.08 25.33 121.37 ULMN 3 1js4_c00 ENDO-EXOCELLULASE E4 user 4 3 # 4 A 55 ASP B 138 ASP^? 17.24 O3 SO4 B 229 A 58 ASP B 115 ASP^? 13.85 O3 SO4 B 229 A 424 GLU B 143 GLU^? 21.40 O3 SO4 B 229 coo 58.42 47.76 20.67 58.01 49.10 19.12 -19.34 21.74 114.74 -17.84 23.07 113.94 coo 58.59 41.80 18.81 58.94 43.89 18.94 -12.10 21.41 116.25 -11.91 23.51 116.16 coo 52.85 46.34 13.34 54.09 44.97 14.42 -16.26 24.40 123.16 -17.08 25.33 121.37 1js4_c00 source 1js4 ENDO-EXOCELLULASE E4 : 4 hits 1js4_c00 naa= 3 ULMN 3 1js4_c01 ENDO-EXOCELLULASE E4 user 1 3 # 1 B 55 ASP A 115 ASP^? 8.58 O1 SO4 A 229 B 58 ASP A 138 ASP^? 13.32 O1 SO4 A 229 B 424 GLU A 143 GLU^? 15.50 O1 SO4 A 229 coo 112.10 61.46 19.99 111.82 60.65 18.07 15.77 43.56 105.82 15.72 41.47 106.14 coo 117.85 63.62 21.08 115.96 63.25 20.18 23.15 43.17 105.53 21.70 41.96 104.55 coo 118.47 57.23 15.57 119.32 58.77 16.73 19.40 41.86 113.53 20.16 40.92 111.75 ULMN 3 1js4_c01 ENDO-EXOCELLULASE E4 user 2 3 # 2 B 55 ASP A 138 ASP^? 13.32 O1 SO4 A 229 B 58 ASP A 115 ASP^? 8.58 O1 SO4 A 229 B 424 GLU A 143 GLU^? 15.50 O1 SO4 A 229 coo 112.10 61.46 19.99 111.82 60.65 18.07 23.15 43.17 105.53 21.70 41.96 104.55 coo 117.85 63.62 21.08 115.96 63.25 20.18 15.77 43.56 105.82 15.72 41.47 106.14 coo 118.47 57.23 15.57 119.32 58.77 16.73 19.40 41.86 113.53 20.16 40.92 111.75 ULMN 3 1js4_c01 ENDO-EXOCELLULASE E4 user 3 3 # 3 B 55 ASP B 115 ASP^? 13.85 O3 SO4 B 229 B 58 ASP B 138 ASP^? 17.24 O3 SO4 B 229 B 424 GLU B 143 GLU^? 21.40 O3 SO4 B 229 coo 112.10 61.46 19.99 111.82 60.65 18.07 -12.10 21.41 116.25 -11.91 23.51 116.16 coo 117.85 63.62 21.08 115.96 63.25 20.18 -19.34 21.74 114.74 -17.84 23.07 113.94 coo 118.47 57.23 15.57 119.32 58.77 16.73 -16.26 24.40 123.16 -17.08 25.33 121.37 ULMN 3 1js4_c01 ENDO-EXOCELLULASE E4 user 4 3 # 4 B 55 ASP B 138 ASP^? 17.24 O3 SO4 B 229 B 58 ASP B 115 ASP^? 13.85 O3 SO4 B 229 B 424 GLU B 143 GLU^? 21.40 O3 SO4 B 229 coo 112.10 61.46 19.99 111.82 60.65 18.07 -19.34 21.74 114.74 -17.84 23.07 113.94 coo 117.85 63.62 21.08 115.96 63.25 20.18 -12.10 21.41 116.25 -11.91 23.51 116.16 coo 118.47 57.23 15.57 119.32 58.77 16.73 -16.26 24.40 123.16 -17.08 25.33 121.37 1js4_c01 source 1js4 ENDO-EXOCELLULASE E4 : 4 hits 1js4_c01 naa= 3 ULMN 3 1jxa_c02 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 1 3 # 1 A 1 CYH A 57 CYH^? 11.87 O3 SO4 A 229 A 98 ASN A 60 ASN^? 8.61 O3 SO4 A 231 A 99 GLY A 61 GLY^? 10.88 O4 SO4 A 231 coo -28.39 5.74 -1.35 -27.45 6.62 -3.77 9.42 32.30 89.74 9.90 31.16 92.16 coo -31.76 2.35 -3.84 -31.22 3.45 -2.16 11.24 30.46 86.13 13.17 31.33 86.46 coo -29.05 1.23 -7.23 -29.18 1.88 -7.63 6.83 29.99 84.43 7.11 29.96 85.20 ULMN 3 1jxa_c02 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 2 3 # 2 A 1 CYH B 57 CYH^? 12.18 O4 SO4 B 229 A 98 ASN B 60 ASN^? 17.59 O1 SO4 B 229 A 99 GLY B 61 GLY^? 18.77 O1 SO4 B 229 coo -28.39 5.74 -1.35 -27.45 6.62 -3.77 1.42 21.45 91.40 -0.02 23.70 92.33 coo -31.76 2.35 -3.84 -31.22 3.45 -2.16 1.10 20.85 87.08 -0.88 20.02 86.80 coo -29.05 1.23 -7.23 -29.18 1.88 -7.63 5.86 21.10 87.10 5.33 21.40 87.62 1jxa_c02 source 1jxa GLUCOSAMINE 6-PHOSPHATE SYNTHASE : 2 hits 1jxa_c02 naa= 3 ULMN 3 1jxa_c03 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 1 3 # 1 B 1 CYH A 57 CYH^? 11.87 O3 SO4 A 229 B 98 ASN A 60 ASN^? 8.61 O3 SO4 A 231 B 99 GLY A 61 GLY^? 10.88 O4 SO4 A 231 coo 5.70 59.29 33.36 6.39 60.24 35.89 9.42 32.30 89.74 9.90 31.16 92.16 coo 7.58 64.91 33.71 8.60 63.38 34.75 11.24 30.46 86.13 13.17 31.33 86.46 coo 6.08 65.78 38.20 5.37 65.61 37.90 6.83 29.99 84.43 7.11 29.96 85.20 ULMN 3 1jxa_c03 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 2 3 # 2 B 1 CYH B 57 CYH^? 12.18 O4 SO4 B 229 B 98 ASN B 60 ASN^? 17.59 O1 SO4 B 229 B 99 GLY B 61 GLY^? 18.77 O1 SO4 B 229 coo 5.70 59.29 33.36 6.39 60.24 35.89 1.42 21.45 91.40 -0.02 23.70 92.33 coo 7.58 64.91 33.71 8.60 63.38 34.75 1.10 20.85 87.08 -0.88 20.02 86.80 coo 6.08 65.78 38.20 5.37 65.61 37.90 5.86 21.10 87.10 5.33 21.40 87.62 1jxa_c03 source 1jxa GLUCOSAMINE 6-PHOSPHATE SYNTHASE : 2 hits 1jxa_c03 naa= 3 ULMN 3 1jxa_c04 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 1 3 # 1 C 1 CYH A 57 CYH^? 11.87 O3 SO4 A 229 C 98 ASN A 60 ASN^? 8.61 O3 SO4 A 231 C 99 GLY A 61 GLY^? 10.88 O4 SO4 A 231 coo 4.88 17.74 73.58 7.14 19.23 72.93 9.42 32.30 89.74 9.90 31.16 92.16 coo 8.21 16.91 78.64 7.09 18.75 78.67 11.24 30.46 86.13 13.17 31.33 86.46 coo 11.04 18.39 74.90 10.95 17.56 74.65 6.83 29.99 84.43 7.11 29.96 85.20 ULMN 3 1jxa_c04 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 2 3 # 2 C 1 CYH B 57 CYH^? 12.18 O4 SO4 B 229 C 98 ASN B 60 ASN^? 17.59 O1 SO4 B 229 C 99 GLY B 61 GLY^? 18.77 O1 SO4 B 229 coo 4.88 17.74 73.58 7.14 19.23 72.93 1.42 21.45 91.40 -0.02 23.70 92.33 coo 8.21 16.91 78.64 7.09 18.75 78.67 1.10 20.85 87.08 -0.88 20.02 86.80 coo 11.04 18.39 74.90 10.95 17.56 74.65 5.86 21.10 87.10 5.33 21.40 87.62 1jxa_c04 source 1jxa GLUCOSAMINE 6-PHOSPHATE SYNTHASE : 2 hits 1jxa_c04 naa= 3 ULMN 3 1k82_c00 FORMAMIDOPYRIMIDINE-DNA GLYCOSYLASE user 1 3 # 1 A 2 GLU B 135 GLU^? 26.24 O2 SO4 B 229 A 56 LYS B 110 LYS^? 32.96 O3 SO4 B 229 A 258 ARG B 147 ARG^? 25.99 O3 SO4 B 229 coo 42.33 1.56 26.99 42.38 2.91 28.66 -23.94 13.15 115.56 -25.55 13.68 116.83 coo 38.45 -0.44 19.89 37.36 0.90 25.90 -21.89 7.24 119.36 -25.62 3.73 122.06 coo 36.54 -1.79 35.54 37.68 -1.44 32.69 -21.61 19.82 125.35 -22.38 21.70 123.03 1k82_c00 source 1k82 FORMAMIDOPYRIMIDINE-DNA GLYCOSYLASE : 1 hits 1k82_c00 naa= 3 ULMN 3 1k82_c01 FORMAMIDOPYRIMIDINE-DNA GLYCOSYLASE user 1 3 # 1 B 2 GLU B 135 GLU^? 26.24 O2 SO4 B 229 B 56 LYS B 110 LYS^? 32.96 O3 SO4 B 229 B 258 ARG B 147 ARG^? 25.99 O3 SO4 B 229 coo -2.88 -2.27 26.18 -2.94 -3.40 27.96 -23.94 13.15 115.56 -25.55 13.68 116.83 coo 1.37 -0.44 19.19 2.21 -1.48 25.26 -21.89 7.24 119.36 -25.62 3.73 122.06 coo 2.64 1.83 34.81 1.56 1.13 32.02 -21.61 19.82 125.35 -22.38 21.70 123.03 1k82_c01 source 1k82 FORMAMIDOPYRIMIDINE-DNA GLYCOSYLASE : 1 hits 1k82_c01 naa= 3 ULMN 3 1k82_c02 FORMAMIDOPYRIMIDINE-DNA GLYCOSYLASE user 1 3 # 1 C 2 GLU B 135 GLU^? 26.24 O2 SO4 B 229 C 56 LYS B 110 LYS^? 32.96 O3 SO4 B 229 C 258 ARG B 147 ARG^? 25.99 O3 SO4 B 229 coo 43.38 -1.09 -22.48 43.25 -2.24 -24.24 -23.94 13.15 115.56 -25.55 13.68 116.83 coo 39.00 0.70 -15.53 38.30 -0.73 -21.58 -21.89 7.24 119.36 -25.62 3.73 122.06 coo 37.62 2.54 -31.11 38.78 1.93 -28.33 -21.61 19.82 125.35 -22.38 21.70 123.03 1k82_c02 source 1k82 FORMAMIDOPYRIMIDINE-DNA GLYCOSYLASE : 1 hits 1k82_c02 naa= 3 ULMN 3 1k82_c03 FORMAMIDOPYRIMIDINE-DNA GLYCOSYLASE user 1 3 # 1 D 2 GLU B 135 GLU^? 26.24 O2 SO4 B 229 D 56 LYS B 110 LYS^? 32.96 O3 SO4 B 229 D 258 ARG B 147 ARG^? 25.99 O3 SO4 B 229 coo -2.14 0.68 -23.29 -2.02 1.93 -25.00 -23.94 13.15 115.56 -25.55 13.68 116.83 coo 2.02 -1.43 -16.27 3.11 0.23 -22.16 -21.89 7.24 119.36 -25.62 3.73 122.06 coo 4.06 -2.42 -31.79 2.79 -2.18 -28.99 -21.61 19.82 125.35 -22.38 21.70 123.03 1k82_c03 source 1k82 FORMAMIDOPYRIMIDINE-DNA GLYCOSYLASE : 1 hits 1k82_c03 naa= 3 ULMN 3 1kim_c00 THYMIDINE KINASE user 1 3 # 1 A 83 GLU A 135 GLU^? 26.04 O1 SO4 A 229 A 163 ARG A 111 ARG^? 23.82 O1 SO4 A 229 A 222 ARG A 136 ARG^? 18.26 O1 SO4 A 229 coo 51.27 81.34 48.31 51.67 80.79 50.28 28.90 53.95 105.73 29.85 54.07 107.68 coo 48.06 78.22 50.94 48.51 78.27 53.98 27.79 53.22 110.53 27.99 50.20 111.12 coo 54.85 84.16 52.60 54.26 81.23 53.34 23.23 51.88 101.29 21.27 53.39 99.53 ULMN 3 1kim_c00 THYMIDINE KINASE user 2 3 # 2 A 83 GLU B 74 GLU^? 16.10 O1 SO4 B 229 A 163 ARG B 70 ARG^? 17.55 O1 SO4 B 229 A 222 ARG B 181 ARG^? 17.91 O2 SO4 B 229 coo 51.27 81.34 48.31 51.67 80.79 50.28 0.29 5.91 102.04 1.64 4.74 100.89 coo 48.06 78.22 50.94 48.51 78.27 53.98 4.92 7.16 103.42 6.42 4.45 103.73 coo 54.85 84.16 52.60 54.26 81.23 53.34 -4.90 4.22 106.56 -7.80 3.62 107.30 ULMN 3 1kim_c00 THYMIDINE KINASE user 3 3 # 3 A 83 GLU B 74 GLU^? 16.10 O1 SO4 B 229 A 163 ARG B 181 ARG^? 17.91 O2 SO4 B 229 A 222 ARG B 70 ARG^? 17.55 O1 SO4 B 229 coo 51.27 81.34 48.31 51.67 80.79 50.28 0.29 5.91 102.04 1.64 4.74 100.89 coo 48.06 78.22 50.94 48.51 78.27 53.98 -4.90 4.22 106.56 -7.80 3.62 107.30 coo 54.85 84.16 52.60 54.26 81.23 53.34 4.92 7.16 103.42 6.42 4.45 103.73 ULMN 3 1kim_c00 THYMIDINE KINASE user 4 3 # 4 A 83 GLU B 135 GLU^? 26.24 O2 SO4 B 229 A 163 ARG B 111 ARG^? 27.08 O3 SO4 B 229 A 222 ARG B 136 ARG^? 16.25 O2 SO4 B 229 coo 51.27 81.34 48.31 51.67 80.79 50.28 -23.94 13.15 115.56 -25.55 13.68 116.83 coo 48.06 78.22 50.94 48.51 78.27 53.98 -24.28 12.69 119.80 -25.14 15.67 120.10 coo 54.85 84.16 52.60 54.26 81.23 53.34 -18.31 12.65 112.04 -15.83 11.94 110.39 1kim_c00 source 1kim THYMIDINE KINASE : 4 hits 1kim_c00 naa= 3 ULMN 3 1lam_c00 LEUCINE AMINOPEPTIDASE user 1 3 # 1 255 ASP A 120 ASP^? 7.17 O2 SO4 A 229 262 LYS A 122 LYS^? 10.06 O1 SO4 A 229 336 ARG A 49 ARG^? -7.08 O1 SO4 A 229s coo 61.88 50.78 12.96 63.84 50.60 13.71 9.29 47.78 99.49 7.80 47.36 98.01 coo 63.59 44.40 18.32 63.20 49.74 17.95 16.00 48.82 99.35 17.27 43.58 96.56 coo 72.60 57.42 15.86 71.61 56.68 18.70 10.25 36.07 104.69 11.36 37.50 107.24 ULMN 3 1lam_c00 LEUCINE AMINOPEPTIDASE user 2 3 # 2 255 ASP A 120 ASP^? 7.17 O2 SO4 A 229 262 LYS A 122 LYS^? 10.06 O1 SO4 A 229 336 ARG A 54 ARG^? -2.64 O2 SO4 A 229s coo 61.88 50.78 12.96 63.84 50.60 13.71 9.29 47.78 99.49 7.80 47.36 98.01 coo 63.59 44.40 18.32 63.20 49.74 17.95 16.00 48.82 99.35 17.27 43.58 96.56 coo 72.60 57.42 15.86 71.61 56.68 18.70 5.30 36.31 96.12 6.03 38.74 97.87 ULMN 3 1lam_c00 LEUCINE AMINOPEPTIDASE user 3 3 # 3 255 ASP A 120 ASP^? 7.17 O2 SO4 A 229 262 LYS A 122 LYS^? 10.06 O1 SO4 A 229 336 ARG A 70 ARG^? 17.64 O2 SO4 A 229 coo 61.88 50.78 12.96 63.84 50.60 13.71 9.29 47.78 99.49 7.80 47.36 98.01 coo 63.59 44.40 18.32 63.20 49.74 17.95 16.00 48.82 99.35 17.27 43.58 96.56 coo 72.60 57.42 15.86 71.61 56.68 18.70 2.37 50.83 90.43 1.13 53.29 89.13 ULMN 3 1lam_c00 LEUCINE AMINOPEPTIDASE user 4 3 # 4 255 ASP B 120 ASP^? 8.68 O3 SO4 B 229 262 LYS B 122 LYS^? 11.60 O2 SO4 B 229 336 ARG B 54 ARG^? -2.73 O1 SO4 B 229s coo 61.88 50.78 12.96 63.84 50.60 13.71 -4.32 17.92 112.37 -3.28 16.49 113.53 coo 63.59 44.40 18.32 63.20 49.74 17.95 -10.43 15.56 110.86 -13.65 15.21 106.31 coo 72.60 57.42 15.86 71.61 56.68 18.70 2.04 21.87 100.04 0.47 20.79 102.47 1lam_c00 source 1lam LEUCINE AMINOPEPTIDASE : 4 hits 1lam_c00 naa= 3 ULMN 3 1lcb_c00 THYMIDYLATE SYNTHASE user 1 3 # 1 198 CYH A 83 CYH^? 12.26 O4 SO4 A 231 229 ASN A 80 ASN^? -4.91 O3 SO4 A 231s 232 SER A 75 SER^? 13.79 O2 SO4 A 229 coo 9.92 49.50 -53.84 12.48 47.89 -53.69 3.04 43.26 82.65 0.35 43.27 81.65 coo 9.79 43.22 -47.74 11.15 44.81 -48.24 11.97 41.28 84.18 13.37 41.01 85.80 coo 7.03 45.16 -41.61 9.10 46.34 -42.68 11.46 48.60 88.99 12.35 49.70 90.90 1lcb_c00 source 1lcb THYMIDYLATE SYNTHASE : 1 hits 1lcb_c00 naa= 3 ULMN 3 1lci_c00 LUCIFERASE user 1 3 # 1 218 ARG A 70 ARG^? 17.64 O2 SO4 A 229 245 HIS A 91 HIS^? 17.38 O4 SO4 A 229 343 THR A 92 THR^? 14.55 O2 SO4 A 229 coo 18.11 85.25 41.19 18.04 83.33 43.59 2.37 50.83 90.43 1.13 53.29 89.13 coo 5.34 86.23 43.48 6.16 87.26 45.12 -3.47 53.98 101.75 -2.43 55.80 101.90 coo 9.06 92.76 42.80 7.04 92.63 42.14 -4.07 48.15 99.54 -4.65 48.76 97.55 ULMN 3 1lci_c00 LUCIFERASE user 2 3 # 2 218 ARG A 181 ARG^? 20.14 O2 SO4 A 229 245 HIS A 97 HIS^? 10.66 O4 SO4 A 229 343 THR A 186 THR^? 13.38 O4 SO4 A 229 coo 18.11 85.25 41.19 18.04 83.33 43.59 10.24 57.36 93.50 12.83 58.20 92.12 coo 5.34 86.23 43.48 6.16 87.26 45.12 7.24 52.04 104.47 6.71 50.18 103.67 coo 9.06 92.76 42.80 7.04 92.63 42.14 1.54 50.72 99.84 1.17 52.62 100.74 ULMN 3 1lci_c00 LUCIFERASE user 3 3 # 3 218 ARG B 70 ARG^? 17.55 O1 SO4 B 229 245 HIS B 91 HIS^? 17.45 O3 SO4 B 229 343 THR B 92 THR^? 14.51 O1 SO4 B 229 coo 18.11 85.25 41.19 18.04 83.33 43.59 4.92 7.16 103.42 6.42 4.45 103.73 coo 5.34 86.23 43.48 6.16 87.26 45.12 5.92 11.10 116.67 5.40 9.21 117.42 coo 9.06 92.76 42.80 7.04 92.63 42.14 8.19 14.86 112.29 9.57 13.57 111.25 ULMN 3 1lci_c00 LUCIFERASE user 4 3 # 4 218 ARG B 70 ARG^? 17.55 O1 SO4 B 229 245 HIS B 91 HIS^? 17.45 O3 SO4 B 229 343 THR B 186 THR^? 14.05 O1 SO4 B 229 coo 18.11 85.25 41.19 18.04 83.33 43.59 4.92 7.16 103.42 6.42 4.45 103.73 coo 5.34 86.23 43.48 6.16 87.26 45.12 5.92 11.10 116.67 5.40 9.21 117.42 coo 9.06 92.76 42.80 7.04 92.63 42.14 2.86 11.86 111.91 2.91 10.46 113.59 ULMN 3 1lci_c00 LUCIFERASE user 5 3 # 5 218 ARG B 181 ARG^? 17.91 O2 SO4 B 229 245 HIS B 97 HIS^? 12.49 O3 SO4 B 229 343 THR B 125 THR^? 15.35 O3 SO4 B 229 coo 18.11 85.25 41.19 18.04 83.33 43.59 -4.90 4.22 106.56 -7.80 3.62 107.30 coo 5.34 86.23 43.48 6.16 87.26 45.12 -3.31 12.76 116.75 -2.66 14.35 115.55 coo 9.06 92.76 42.80 7.04 92.63 42.14 -11.12 11.10 113.25 -12.49 12.54 114.14 ULMN 3 1lci_c00 LUCIFERASE user 6 3 # 6 218 ARG B 181 ARG^? 17.91 O2 SO4 B 229 245 HIS B 97 HIS^? 12.49 O3 SO4 B 229 343 THR B 186 THR^? 14.05 O1 SO4 B 229 coo 18.11 85.25 41.19 18.04 83.33 43.59 -4.90 4.22 106.56 -7.80 3.62 107.30 coo 5.34 86.23 43.48 6.16 87.26 45.12 -3.31 12.76 116.75 -2.66 14.35 115.55 coo 9.06 92.76 42.80 7.04 92.63 42.14 2.86 11.86 111.91 2.91 10.46 113.59 1lci_c00 source 1lci LUCIFERASE : 6 hits 1lci_c00 naa= 3 ULMN 3 1lij_c01 ADENOSINE KINASE user 1 3 # 1 A 316 ALA A 0 ALA~? 9.58 O2 SO4 A 230 A 317 GLY A 40 GLY^? 11.26 O2 SO4 A 230 A 318 ASP A 39 ASP^? 5.87 O2 SO4 A 230 coo 144.15 17.54 -4.21 144.96 16.79 -5.26 -19.24 32.22 88.85 -19.63 31.35 90.00 coo 145.79 20.97 -4.38 145.13 20.72 -3.93 -15.87 29.48 89.40 -15.10 29.70 89.61 coo 141.70 22.54 -2.23 141.09 23.62 -3.92 -16.67 33.15 92.05 -17.20 32.80 93.99 ULMN 3 1lij_c01 ADENOSINE KINASE user 2 3 # 2 A 316 ALA A 51 ALA^? -4.08 O2 SO4 A 229s A 317 GLY A 50 GLY^? -3.07 O1 SO4 A 229s A 318 ASP A 52 ASP^? 8.69 O1 SO4 A 229 coo 144.15 17.54 -4.21 144.96 16.79 -5.26 9.12 39.93 96.18 9.00 41.44 96.17 coo 145.79 20.97 -4.38 145.13 20.72 -3.93 10.35 37.93 99.14 9.60 37.73 98.91 coo 141.70 22.54 -2.23 141.09 23.62 -3.92 13.74 39.26 94.65 14.56 41.23 94.45 ULMN 3 1lij_c01 ADENOSINE KINASE user 3 3 # 3 A 316 ALA B 51 ALA^? -4.32 O1 SO4 B 229s A 317 GLY B 50 GLY^? -3.38 O2 SO4 B 229s A 318 ASP B 52 ASP^? 8.63 O2 SO4 B 229 coo 144.15 17.54 -4.21 144.96 16.79 -5.26 -1.79 18.53 100.38 -1.87 17.27 101.22 coo 145.79 20.97 -4.38 145.13 20.72 -3.93 -3.93 21.64 100.92 -3.13 21.79 100.99 coo 141.70 22.54 -2.23 141.09 23.62 -3.92 -5.20 17.74 96.96 -6.16 15.91 97.49 1lij_c01 source 1lij ADENOSINE KINASE : 3 hits 1lij_c01 naa= 3 ULMN 3 1lio_c01 ADENOSINE KINASE user 1 3 # 1 A 316 ALA A 0 ALA~? 9.58 O2 SO4 A 230 A 317 GLY A 40 GLY^? 11.26 O2 SO4 A 230 A 318 ASP A 39 ASP^? 5.87 O2 SO4 A 230 coo 27.04 23.54 41.85 25.72 24.19 42.18 -19.24 32.22 88.85 -19.63 31.35 90.00 coo 27.87 23.16 38.17 28.43 22.97 38.87 -15.87 29.48 89.40 -15.10 29.70 89.61 coo 32.11 22.71 40.58 33.42 24.22 39.78 -16.67 33.15 92.05 -17.20 32.80 93.99 ULMN 3 1lio_c01 ADENOSINE KINASE user 2 3 # 2 A 316 ALA A 51 ALA^? -4.08 O2 SO4 A 229s A 317 GLY A 50 GLY^? -3.07 O1 SO4 A 229s A 318 ASP A 52 ASP^? 8.69 O1 SO4 A 229 coo 27.04 23.54 41.85 25.72 24.19 42.18 9.12 39.93 96.18 9.00 41.44 96.17 coo 27.87 23.16 38.17 28.43 22.97 38.87 10.35 37.93 99.14 9.60 37.73 98.91 coo 32.11 22.71 40.58 33.42 24.22 39.78 13.74 39.26 94.65 14.56 41.23 94.45 ULMN 3 1lio_c01 ADENOSINE KINASE user 3 3 # 3 A 316 ALA B 51 ALA^? -4.32 O1 SO4 B 229s A 317 GLY B 50 GLY^? -3.38 O2 SO4 B 229s A 318 ASP B 52 ASP^? 8.63 O2 SO4 B 229 coo 27.04 23.54 41.85 25.72 24.19 42.18 -1.79 18.53 100.38 -1.87 17.27 101.22 coo 27.87 23.16 38.17 28.43 22.97 38.87 -3.93 21.64 100.92 -3.13 21.79 100.99 coo 32.11 22.71 40.58 33.42 24.22 39.78 -5.20 17.74 96.96 -6.16 15.91 97.49 1lio_c01 source 1lio ADENOSINE KINASE : 3 hits 1lio_c01 naa= 3 ULMN 3 1m53_c05 ISOMALTULOSE SYNTHASE user 1 3 # 1 A 241 ASP A 115 ASP^? 8.58 O1 SO4 A 229 A 265 GLU A 56 GLU^? 10.40 O3 SO4 A 231 A 369 ASP A 120 ASP^? 7.17 O2 SO4 A 229 coo 11.74 38.14 80.19 10.63 36.40 80.65 15.77 43.56 105.82 15.72 41.47 106.14 coo 17.36 23.57 72.04 18.68 21.92 71.98 14.22 34.54 89.57 15.78 33.95 90.89 coo 12.19 31.08 87.29 11.13 32.66 86.38 9.29 47.78 99.49 7.80 47.36 98.01 ULMN 3 1m53_c05 ISOMALTULOSE SYNTHASE user 2 3 # 2 A 241 ASP A 120 ASP^? 7.17 O2 SO4 A 229 A 265 GLU A 56 GLU^? 10.40 O3 SO4 A 231 A 369 ASP A 115 ASP^? 8.58 O1 SO4 A 229 coo 11.74 38.14 80.19 10.63 36.40 80.65 9.29 47.78 99.49 7.80 47.36 98.01 coo 17.36 23.57 72.04 18.68 21.92 71.98 14.22 34.54 89.57 15.78 33.95 90.89 coo 12.19 31.08 87.29 11.13 32.66 86.38 15.77 43.56 105.82 15.72 41.47 106.14 ULMN 3 1m53_c05 ISOMALTULOSE SYNTHASE user 3 3 # 3 A 241 ASP B 39 ASP^? 20.66 O1 SO4 A 229 A 265 GLU B 223 GLU^? 27.95 O3 SO4 B 229 A 369 ASP B 208 ASP^? 25.58 O1 SO4 B 229 coo 11.74 38.14 80.19 10.63 36.40 80.65 23.84 25.31 104.29 24.42 26.93 105.50 coo 17.36 23.57 72.04 18.68 21.92 71.98 18.86 25.12 122.56 20.16 23.43 122.41 coo 12.19 31.08 87.29 11.13 32.66 86.38 22.68 13.69 106.98 23.40 15.21 108.39 1m53_c05 source 1m53 ISOMALTULOSE SYNTHASE : 3 hits 1m53_c05 naa= 3 ULMN 3 1m53_c06 ISOMALTULOSE SYNTHASE user 1 3 # 1 A 241 ASP A 39 ASP^? 5.87 O2 SO4 A 230 A 279 GLU A 28 GLU^? 15.00 O4 SO4 A 229 A 369 ASP A 2 ASP~? 14.67 O2 SO4 A 230 coo 11.74 38.14 80.19 10.63 36.40 80.65 -16.67 33.15 92.05 -17.20 32.80 93.99 coo 16.54 46.37 63.94 14.77 45.79 62.95 -5.36 37.58 106.38 -6.12 37.04 108.31 coo 12.19 31.08 87.29 11.13 32.66 86.38 -20.15 34.72 83.71 -22.03 35.03 82.80 ULMN 3 1m53_c06 ISOMALTULOSE SYNTHASE user 2 3 # 2 A 241 ASP A 39 ASP^? 5.87 O2 SO4 A 230 A 279 GLU A 225 GLU^? 13.76 O3 SO4 A 230 A 369 ASP A 2 ASP~? 14.67 O2 SO4 A 230 coo 11.74 38.14 80.19 10.63 36.40 80.65 -16.67 33.15 92.05 -17.20 32.80 93.99 coo 16.54 46.37 63.94 14.77 45.79 62.95 -14.25 35.84 110.00 -12.75 37.08 110.88 coo 12.19 31.08 87.29 11.13 32.66 86.38 -20.15 34.72 83.71 -22.03 35.03 82.80 ULMN 3 1m53_c06 ISOMALTULOSE SYNTHASE user 3 3 # 3 A 241 ASP A 39 ASP^? 5.87 O2 SO4 A 230 A 279 GLU B 56 GLU^? 14.37 O2 SO4 B 229 A 369 ASP A 208 ASP^? 7.66 O1 SO4 A 230 coo 11.74 38.14 80.19 10.63 36.40 80.65 -16.67 33.15 92.05 -17.20 32.80 93.99 coo 16.54 46.37 63.94 14.77 45.79 62.95 -2.86 18.57 90.31 -4.55 19.76 89.87 coo 12.19 31.08 87.29 11.13 32.66 86.38 -15.69 43.98 89.75 -16.79 45.74 90.29 ULMN 3 1m53_c06 ISOMALTULOSE SYNTHASE user 4 3 # 4 A 241 ASP A 64 ASP^? 16.48 O4 SO4 A 231 A 279 GLU A 74 GLU^? 15.20 O4 SO4 A 231 A 369 ASP A 11 ASP.? 21.96 O2 SO4 A 231 coo 11.74 38.14 80.19 10.63 36.40 80.65 -0.89 32.13 86.35 -1.06 30.06 86.04 coo 16.54 46.37 63.94 14.77 45.79 62.95 6.06 51.55 88.92 5.14 51.51 86.98 coo 12.19 31.08 87.29 11.13 32.66 86.38 -4.20 26.29 77.28 -4.78 26.04 75.24 ULMN 3 1m53_c06 ISOMALTULOSE SYNTHASE user 5 3 # 5 A 241 ASP A 64 ASP^? 16.48 O4 SO4 A 231 A 279 GLU A 187 GLU^? 15.53 O2 SO4 A 229 A 369 ASP A 11 ASP.? 21.96 O2 SO4 A 231 coo 11.74 38.14 80.19 10.63 36.40 80.65 -0.89 32.13 86.35 -1.06 30.06 86.04 coo 16.54 46.37 63.94 14.77 45.79 62.95 -0.92 50.23 94.11 -1.07 51.49 92.41 coo 12.19 31.08 87.29 11.13 32.66 86.38 -4.20 26.29 77.28 -4.78 26.04 75.24 ULMN 3 1m53_c06 ISOMALTULOSE SYNTHASE user 6 3 # 6 A 241 ASP A 120 ASP^? 7.17 O2 SO4 A 229 A 279 GLU A 28 GLU^? 15.00 O4 SO4 A 229 A 369 ASP A 126 ASP^? 16.24 O1 SO4 A 229 coo 11.74 38.14 80.19 10.63 36.40 80.65 9.29 47.78 99.49 7.80 47.36 98.01 coo 16.54 46.37 63.94 14.77 45.79 62.95 -5.36 37.58 106.38 -6.12 37.04 108.31 coo 12.19 31.08 87.29 11.13 32.66 86.38 18.12 53.54 96.53 19.31 51.77 96.80 ULMN 3 1m53_c06 ISOMALTULOSE SYNTHASE user 7 3 # 7 A 241 ASP A 126 ASP^? 16.24 O1 SO4 A 229 A 279 GLU A 56 GLU^? 10.40 O3 SO4 A 231 A 369 ASP A 131 ASP^? 27.86 O1 SO4 A 231 coo 11.74 38.14 80.19 10.63 36.40 80.65 18.12 53.54 96.53 19.31 51.77 96.80 coo 16.54 46.37 63.94 14.77 45.79 62.95 14.22 34.54 89.57 15.78 33.95 90.89 coo 12.19 31.08 87.29 11.13 32.66 86.38 23.62 62.30 95.31 25.14 61.71 93.92 ULMN 3 1m53_c06 ISOMALTULOSE SYNTHASE user 8 3 # 8 A 241 ASP A 126 ASP^? 16.24 O1 SO4 A 229 A 279 GLU A 56 GLU^? 10.40 O3 SO4 A 231 A 369 ASP A 179 ASP^? 20.51 O2 SO4 A 229 coo 11.74 38.14 80.19 10.63 36.40 80.65 18.12 53.54 96.53 19.31 51.77 96.80 coo 16.54 46.37 63.94 14.77 45.79 62.95 14.22 34.54 89.57 15.78 33.95 90.89 coo 12.19 31.08 87.29 11.13 32.66 86.38 9.62 60.80 96.72 10.25 60.11 94.85 ULMN 3 1m53_c06 ISOMALTULOSE SYNTHASE user 9 3 # 9 A 241 ASP A 126 ASP^? 16.24 O1 SO4 A 229 A 279 GLU A 143 GLU^? 15.50 O1 SO4 A 229 A 369 ASP A 131 ASP^? 27.86 O1 SO4 A 231 coo 11.74 38.14 80.19 10.63 36.40 80.65 18.12 53.54 96.53 19.31 51.77 96.80 coo 16.54 46.37 63.94 14.77 45.79 62.95 19.40 41.86 113.53 20.16 40.92 111.75 coo 12.19 31.08 87.29 11.13 32.66 86.38 23.62 62.30 95.31 25.14 61.71 93.92 ULMN 3 1m53_c06 ISOMALTULOSE SYNTHASE user 10 3 # 10 A 241 ASP A 126 ASP^? 16.24 O1 SO4 A 229 A 279 GLU A 143 GLU^? 15.50 O1 SO4 A 229 A 369 ASP A 179 ASP^? 20.51 O2 SO4 A 229 coo 11.74 38.14 80.19 10.63 36.40 80.65 18.12 53.54 96.53 19.31 51.77 96.80 coo 16.54 46.37 63.94 14.77 45.79 62.95 19.40 41.86 113.53 20.16 40.92 111.75 coo 12.19 31.08 87.29 11.13 32.66 86.38 9.62 60.80 96.72 10.25 60.11 94.85 ULMN 3 1m53_c06 ISOMALTULOSE SYNTHASE user 11 3 # 11 A 241 ASP A 126 ASP^? 16.24 O1 SO4 A 229 A 279 GLU A 187 GLU^? 15.53 O2 SO4 A 229 A 369 ASP A 131 ASP^? 27.86 O1 SO4 A 231 coo 11.74 38.14 80.19 10.63 36.40 80.65 18.12 53.54 96.53 19.31 51.77 96.80 coo 16.54 46.37 63.94 14.77 45.79 62.95 -0.92 50.23 94.11 -1.07 51.49 92.41 coo 12.19 31.08 87.29 11.13 32.66 86.38 23.62 62.30 95.31 25.14 61.71 93.92 ULMN 3 1m53_c06 ISOMALTULOSE SYNTHASE user 12 3 # 12 A 241 ASP A 196 ASP^? 13.16 O4 SO4 A 231 A 279 GLU A 74 GLU^? 15.20 O4 SO4 A 231 A 369 ASP A 11 ASP.? 21.96 O2 SO4 A 231 coo 11.74 38.14 80.19 10.63 36.40 80.65 1.09 35.34 80.24 -0.14 33.75 80.95 coo 16.54 46.37 63.94 14.77 45.79 62.95 6.06 51.55 88.92 5.14 51.51 86.98 coo 12.19 31.08 87.29 11.13 32.66 86.38 -4.20 26.29 77.28 -4.78 26.04 75.24 ULMN 3 1m53_c06 ISOMALTULOSE SYNTHASE user 13 3 # 13 A 241 ASP A 196 ASP^? 13.16 O4 SO4 A 231 A 279 GLU A 187 GLU^? 15.53 O2 SO4 A 229 A 369 ASP A 11 ASP.? 21.96 O2 SO4 A 231 coo 11.74 38.14 80.19 10.63 36.40 80.65 1.09 35.34 80.24 -0.14 33.75 80.95 coo 16.54 46.37 63.94 14.77 45.79 62.95 -0.92 50.23 94.11 -1.07 51.49 92.41 coo 12.19 31.08 87.29 11.13 32.66 86.38 -4.20 26.29 77.28 -4.78 26.04 75.24 ULMN 3 1m53_c06 ISOMALTULOSE SYNTHASE user 14 3 # 14 A 241 ASP A 208 ASP^? 7.66 O1 SO4 A 230 A 279 GLU A 28 GLU^? 15.00 O4 SO4 A 229 A 369 ASP A 2 ASP~? 14.67 O2 SO4 A 230 coo 11.74 38.14 80.19 10.63 36.40 80.65 -15.69 43.98 89.75 -16.79 45.74 90.29 coo 16.54 46.37 63.94 14.77 45.79 62.95 -5.36 37.58 106.38 -6.12 37.04 108.31 coo 12.19 31.08 87.29 11.13 32.66 86.38 -20.15 34.72 83.71 -22.03 35.03 82.80 ULMN 3 1m53_c06 ISOMALTULOSE SYNTHASE user 15 3 # 15 A 241 ASP A 208 ASP^? 7.66 O1 SO4 A 230 A 279 GLU A 223 GLU^? 14.08 O3 SO4 A 230 A 369 ASP A 2 ASP~? 14.67 O2 SO4 A 230 coo 11.74 38.14 80.19 10.63 36.40 80.65 -15.69 43.98 89.75 -16.79 45.74 90.29 coo 16.54 46.37 63.94 14.77 45.79 62.95 -17.87 45.35 109.10 -19.33 45.72 110.62 coo 12.19 31.08 87.29 11.13 32.66 86.38 -20.15 34.72 83.71 -22.03 35.03 82.80 ULMN 3 1m53_c06 ISOMALTULOSE SYNTHASE user 16 3 # 16 A 241 ASP B 39 ASP^? 20.66 O1 SO4 A 229 A 279 GLU A 56 GLU^? 10.40 O3 SO4 A 231 A 369 ASP B 208 ASP^? 25.58 O1 SO4 B 229 coo 11.74 38.14 80.19 10.63 36.40 80.65 23.84 25.31 104.29 24.42 26.93 105.50 coo 16.54 46.37 63.94 14.77 45.79 62.95 14.22 34.54 89.57 15.78 33.95 90.89 coo 12.19 31.08 87.29 11.13 32.66 86.38 22.68 13.69 106.98 23.40 15.21 108.39 ULMN 3 1m53_c06 ISOMALTULOSE SYNTHASE user 17 3 # 17 A 241 ASP B 39 ASP^? 20.66 O1 SO4 A 229 A 279 GLU A 143 GLU^? 15.50 O1 SO4 A 229 A 369 ASP B 208 ASP^? 25.58 O1 SO4 B 229 coo 11.74 38.14 80.19 10.63 36.40 80.65 23.84 25.31 104.29 24.42 26.93 105.50 coo 16.54 46.37 63.94 14.77 45.79 62.95 19.40 41.86 113.53 20.16 40.92 111.75 coo 12.19 31.08 87.29 11.13 32.66 86.38 22.68 13.69 106.98 23.40 15.21 108.39 ULMN 3 1m53_c06 ISOMALTULOSE SYNTHASE user 18 3 # 18 A 241 ASP B 120 ASP^? 8.68 O3 SO4 B 229 A 279 GLU A 28 GLU^? 15.00 O4 SO4 A 229 A 369 ASP B 126 ASP^? 13.57 O2 SO4 B 229 coo 11.74 38.14 80.19 10.63 36.40 80.65 -4.32 17.92 112.37 -3.28 16.49 113.53 coo 16.54 46.37 63.94 14.77 45.79 62.95 -5.36 37.58 106.38 -6.12 37.04 108.31 coo 12.19 31.08 87.29 11.13 32.66 86.38 -11.35 10.60 108.40 -13.06 11.59 107.65 ULMN 3 1m53_c06 ISOMALTULOSE SYNTHASE user 19 3 # 19 A 241 ASP B 120 ASP^? 8.68 O3 SO4 B 229 A 279 GLU B 87 GLU^? 17.71 O1 SO4 B 229 A 369 ASP B 115 ASP^? 13.85 O3 SO4 B 229 coo 11.74 38.14 80.19 10.63 36.40 80.65 -4.32 17.92 112.37 -3.28 16.49 113.53 coo 16.54 46.37 63.94 14.77 45.79 62.95 10.05 8.18 103.44 9.48 6.19 103.45 coo 12.19 31.08 87.29 11.13 32.66 86.38 -12.10 21.41 116.25 -11.91 23.51 116.16 ULMN 3 1m53_c06 ISOMALTULOSE SYNTHASE user 20 3 # 20 A 241 ASP B 126 ASP^? 13.57 O2 SO4 B 229 A 279 GLU B 143 GLU^? 21.40 O3 SO4 B 229 A 369 ASP B 179 ASP^? 19.53 O1 SO4 B 229 coo 11.74 38.14 80.19 10.63 36.40 80.65 -11.35 10.60 108.40 -13.06 11.59 107.65 coo 16.54 46.37 63.94 14.77 45.79 62.95 -16.26 24.40 123.16 -17.08 25.33 121.37 coo 12.19 31.08 87.29 11.13 32.66 86.38 -5.05 2.01 112.29 -5.62 2.01 110.23 1m53_c06 source 1m53 ISOMALTULOSE SYNTHASE : 20 hits 1m53_c06 naa= 3 ULMN 3 1mas_c00 INOSINE-URIDINE NUCLEOSIDE N-RIBOHYDuser 1 3 # 1 A 10 ASP B 120 ASP^? 8.68 O3 SO4 B 229 A 168 ASN B 159 ASN^? 12.45 O3 SO4 B 229 A 241 HIS B 91 HIS^? 17.45 O3 SO4 B 229 coo 2.16 -17.86 7.84 1.13 -18.57 9.58 -4.32 17.92 112.37 -3.28 16.49 113.53 coo -3.08 -15.85 14.13 -2.55 -17.63 13.08 -2.29 16.97 120.14 -2.10 17.25 118.07 coo -5.32 -25.12 14.92 -4.53 -26.21 16.52 5.92 11.10 116.67 5.40 9.21 117.42 1mas_c00 source 1mas INOSINE-URIDINE NUCLEOSIDE N-RIBOHYDROLASE : 1 hits 1mas_c00 naa= 3 ULMN 3 1mas_c01 INOSINE-URIDINE NUCLEOSIDE N-RIBOHYDuser 1 3 # 1 B 10 ASP B 120 ASP^? 8.68 O3 SO4 B 229 B 168 ASN B 159 ASN^? 12.45 O3 SO4 B 229 B 241 HIS B 91 HIS^? 17.45 O3 SO4 B 229 coo -17.05 -4.58 51.44 -17.53 -6.08 49.99 -4.32 17.92 112.37 -3.28 16.49 113.53 coo -13.80 -8.69 44.98 -15.38 -8.70 46.39 -2.29 16.97 120.14 -2.10 17.25 118.07 coo -21.48 -14.16 44.54 -22.74 -13.73 42.93 5.92 11.10 116.67 5.40 9.21 117.42 1mas_c01 source 1mas INOSINE-URIDINE NUCLEOSIDE N-RIBOHYDROLASE : 1 hits 1mas_c01 naa= 3 ULMN 3 1mbb_c00 URIDINE DIPHOSPHO-N-ACETYLENOLPYRUVYuser 1 3 # 1 159 ARG A 25 ARG^? 13.42 O3 SO4 A 230 229 SER A 32 SER^? 6.95 O3 SO4 A 230 325 GLU A 28 GLU^? 15.00 O4 SO4 A 229 coo 2.54 15.84 18.57 3.24 17.85 16.30 -8.12 40.98 109.71 -10.75 39.35 109.96 coo 10.17 13.48 15.92 9.61 15.76 15.27 -9.65 37.25 100.15 -11.63 37.02 101.57 coo 5.42 13.04 19.75 5.74 13.81 17.79 -5.36 37.58 106.38 -6.12 37.04 108.31 ULMN 3 1mbb_c00 URIDINE DIPHOSPHO-N-ACETYLENOLPYRUVYuser 2 3 # 2 159 ARG A 70 ARG^? 17.64 O2 SO4 A 229 229 SER A 69 SER^? 7.95 O2 SO4 A 229 325 GLU A 187 GLU^? 15.53 O2 SO4 A 229 coo 2.54 15.84 18.57 3.24 17.85 16.30 2.37 50.83 90.43 1.13 53.29 89.13 coo 10.17 13.48 15.92 9.61 15.76 15.27 3.96 46.55 95.52 6.09 47.55 96.26 coo 5.42 13.04 19.75 5.74 13.81 17.79 -0.92 50.23 94.11 -1.07 51.49 92.41 ULMN 3 1mbb_c00 URIDINE DIPHOSPHO-N-ACETYLENOLPYRUVYuser 3 3 # 3 159 ARG A 70 ARG^? 17.64 O2 SO4 A 229 229 SER A 75 SER^? 13.79 O2 SO4 A 229 325 GLU A 74 GLU^? 15.20 O4 SO4 A 231 coo 2.54 15.84 18.57 3.24 17.85 16.30 2.37 50.83 90.43 1.13 53.29 89.13 coo 10.17 13.48 15.92 9.61 15.76 15.27 11.46 48.60 88.99 12.35 49.70 90.90 coo 5.42 13.04 19.75 5.74 13.81 17.79 6.06 51.55 88.92 5.14 51.51 86.98 ULMN 3 1mbb_c00 URIDINE DIPHOSPHO-N-ACETYLENOLPYRUVYuser 4 3 # 4 159 ARG A 102 ARG^? 26.30 O1 SO4 A 229 229 SER A 106 SER^? 27.12 O4 SO4 A 229 325 GLU A 105 GLU^? 30.13 O4 SO4 A 229 coo 2.54 15.84 18.57 3.24 17.85 16.30 20.87 56.76 118.88 22.55 56.51 116.31 coo 10.17 13.48 15.92 9.61 15.76 15.27 17.60 62.70 111.68 15.95 64.47 111.44 coo 5.42 13.04 19.75 5.74 13.81 17.79 20.63 62.21 117.15 22.45 61.29 117.66 ULMN 3 1mbb_c00 URIDINE DIPHOSPHO-N-ACETYLENOLPYRUVYuser 5 3 # 5 159 ARG B 70 ARG^? 17.55 O1 SO4 B 229 229 SER B 75 SER^? 11.73 O1 SO4 B 229 325 GLU B 74 GLU^? 16.10 O1 SO4 B 229 coo 2.54 15.84 18.57 3.24 17.85 16.30 4.92 7.16 103.42 6.42 4.45 103.73 coo 10.17 13.48 15.92 9.61 15.76 15.27 -3.25 8.79 97.97 -4.60 9.93 99.66 coo 5.42 13.04 19.75 5.74 13.81 17.79 0.29 5.91 102.04 1.64 4.74 100.89 ULMN 3 1mbb_c00 URIDINE DIPHOSPHO-N-ACETYLENOLPYRUVYuser 6 3 # 6 159 ARG B 102 ARG^? 29.89 O3 SO4 B 229 229 SER B 106 SER^? 29.18 O3 SO4 B 229 325 GLU B 105 GLU^? 33.36 O3 SO4 B 229 coo 2.54 15.84 18.57 3.24 17.85 16.30 -18.79 9.83 130.39 -20.19 10.03 127.65 coo 10.17 13.48 15.92 9.61 15.76 15.27 -14.89 3.19 124.25 -13.21 1.70 125.19 coo 5.42 13.04 19.75 5.74 13.81 17.79 -18.43 5.03 129.05 -20.50 4.52 128.90 ULMN 3 1mbb_c00 URIDINE DIPHOSPHO-N-ACETYLENOLPYRUVYuser 7 3 # 7 159 ARG B 218 ARG^? 24.95 O1 SO4 B 229 229 SER B 221 SER^? 23.67 O3 SO4 B 229 325 GLU B 223 GLU^? 27.95 O3 SO4 B 229 coo 2.54 15.84 18.57 3.24 17.85 16.30 19.88 22.79 118.45 20.69 21.06 116.02 coo 10.17 13.48 15.92 9.61 15.76 15.27 12.18 22.64 122.40 14.60 22.77 122.49 coo 5.42 13.04 19.75 5.74 13.81 17.79 18.86 25.12 122.56 20.16 23.43 122.41 1mbb_c00 source 1mbb URIDINE DIPHOSPHO-N-ACETYLENOLPYRUVYLGLUCOSAMI: 7 hits 1mbb_c00 naa= 3 ULMN 3 1mla_c00 MALONYL-COENZYME A ACYL CARRIER PROTuser 1 3 # 1 92 SER A 144 SER^? 15.12 O1 SO4 A 229 201 HIS A 142 HIS^? 12.26 O4 SO4 A 229 250 GLN A 146 GLN^? 20.83 O4 SO4 A 229 coo 38.34 0.72 11.82 37.33 1.15 14.05 18.44 47.73 113.02 18.01 47.36 110.65 coo 37.34 -2.58 17.29 36.94 -1.26 15.79 13.21 42.55 113.57 11.63 42.05 112.27 coo 35.50 -3.51 11.88 35.27 -1.49 11.17 17.30 44.83 118.79 17.81 42.95 119.71 ULMN 3 1mla_c00 MALONYL-COENZYME A ACYL CARRIER PROTuser 2 3 # 2 92 SER B 144 SER^? 19.71 O3 SO4 B 229 201 HIS B 142 HIS^? 20.91 O3 SO4 B 229 250 GLN B 146 GLN^? 26.46 O3 SO4 B 229 coo 38.34 0.72 11.82 37.33 1.15 14.05 -15.61 18.40 123.69 -14.86 18.39 121.37 coo 37.34 -2.58 17.29 36.94 -1.26 15.79 -10.19 23.71 125.79 -8.10 23.78 126.04 coo 35.50 -3.51 11.88 35.27 -1.49 11.17 -15.82 21.82 129.09 -16.21 23.87 128.73 1mla_c00 source 1mla MALONYL-COENZYME A ACYL CARRIER PROTEIN TRANSA: 2 hits 1mla_c00 naa= 3 ULMN 3 1mpp_c04 PEPSIN (RENIN) (E.C.3.4.23.23) user 1 3 # 1 32 ASP A 2 ASP~? 14.67 O2 SO4 A 230 35 SER A -2 SER~? 12.73 O2 SO4 A 230 215 ASP A 39 ASP^? 5.87 O2 SO4 A 230 coo 20.97 14.47 32.28 19.66 15.96 31.62 -20.15 34.72 83.71 -22.03 35.03 82.80 coo 16.04 14.72 33.82 17.27 13.71 31.95 -23.89 33.29 87.49 -25.22 35.21 86.74 coo 20.65 22.00 33.80 20.06 20.56 32.39 -16.67 33.15 92.05 -17.20 32.80 93.99 ULMN 3 1mpp_c04 PEPSIN (RENIN) (E.C.3.4.23.23) user 2 3 # 2 32 ASP A 115 ASP^? 8.58 O1 SO4 A 229 35 SER A 140 SER^? 13.33 O1 SO4 A 229 215 ASP A 138 ASP^? 13.32 O1 SO4 A 229 coo 20.97 14.47 32.28 19.66 15.96 31.62 15.77 43.56 105.82 15.72 41.47 106.14 coo 16.04 14.72 33.82 17.27 13.71 31.95 16.67 42.99 109.88 16.46 41.74 111.93 coo 20.65 22.00 33.80 20.06 20.56 32.39 23.15 43.17 105.53 21.70 41.96 104.55 ULMN 3 1mpp_c04 PEPSIN (RENIN) (E.C.3.4.23.23) user 3 3 # 3 32 ASP B 115 ASP^? 13.85 O3 SO4 B 229 35 SER B 140 SER^? 18.74 O3 SO4 B 229 215 ASP B 138 ASP^? 17.24 O3 SO4 B 229 coo 20.97 14.47 32.28 19.66 15.96 31.62 -12.10 21.41 116.25 -11.91 23.51 116.16 coo 16.04 14.72 33.82 17.27 13.71 31.95 -13.55 22.77 120.12 -12.47 24.15 121.85 coo 20.65 22.00 33.80 20.06 20.56 32.39 -19.34 21.74 114.74 -17.84 23.07 113.94 1mpp_c04 source 1mpp PEPSIN (RENIN) (E.C.3.4.23.23) : 3 hits 1mpp_c04 naa= 3 ULMN 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 1 3 # 1 A 465 GLY A 89 GLY^? 17.01 O1 SO4 A 230 A 501 ASP A 126 ASP^? 16.24 O1 SO4 A 229 B 367 TYR A 44 TYR^? 11.44 O2 SO4 B 229 coo 4.40 25.46 -23.33 5.00 25.87 -23.68 -4.32 51.99 94.40 -3.98 51.29 94.76 coo 13.82 6.17 -29.83 11.78 5.87 -29.33 18.12 53.54 96.53 19.31 51.77 96.80 coo 27.05 35.80 -12.24 28.72 34.05 -10.85 -5.28 26.63 94.41 -7.11 24.62 93.85 ULMN 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 2 3 # 2 A 465 GLY A 95 GLY^? 12.39 O4 SO4 A 229 A 501 ASP A 208 ASP^? 7.66 O1 SO4 A 230 B 367 TYR B 27 TYR^? 6.20 O3 SO4 B 229 coo 4.40 25.46 -23.33 5.00 25.87 -23.68 0.86 50.72 105.80 1.49 50.48 105.32 coo 13.82 6.17 -29.83 11.78 5.87 -29.33 -15.69 43.98 89.75 -16.79 45.74 90.29 coo 27.05 35.80 -12.24 28.72 34.05 -10.85 3.82 22.31 109.84 1.63 20.66 109.20 ULMN 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 3 3 # 3 A 465 GLY A 113 GLY^? 16.24 O1 SO4 A 229 A 501 ASP A 178 ASP^? 26.16 O4 SO4 A 229 B 367 TYR B 45 TYR^? 13.10 O4 SO4 B 229 coo 4.40 25.46 -23.33 5.00 25.87 -23.68 19.92 49.38 108.48 19.63 49.93 107.90 coo 13.82 6.17 -29.83 11.78 5.87 -29.33 7.84 65.02 98.85 7.73 66.72 100.09 coo 27.05 35.80 -12.24 28.72 34.05 -10.85 10.04 26.44 102.60 11.44 24.36 103.85 ULMN 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 4 3 # 4 A 465 GLY A 222 GLY^? 13.51 O3 SO4 A 230 A 501 ASP A 39 ASP^? 5.87 O2 SO4 A 230 B 367 TYR A 141 TYR^? 9.25 O4 SO4 A 229 coo 4.40 25.46 -23.33 5.00 25.87 -23.68 -13.80 42.81 110.86 -14.29 43.18 110.33 coo 13.82 6.17 -29.83 11.78 5.87 -29.33 -16.67 33.15 92.05 -17.20 32.80 93.99 coo 27.05 35.80 -12.24 28.72 34.05 -10.85 12.91 44.78 109.54 12.66 42.85 107.55 ULMN 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 5 3 # 5 A 465 GLY A 222 GLY^? 13.51 O3 SO4 A 230 A 501 ASP A 208 ASP^? 7.66 O1 SO4 A 230 B 367 TYR B 27 TYR^? 6.20 O3 SO4 B 229 coo 4.40 25.46 -23.33 5.00 25.87 -23.68 -13.80 42.81 110.86 -14.29 43.18 110.33 coo 13.82 6.17 -29.83 11.78 5.87 -29.33 -15.69 43.98 89.75 -16.79 45.74 90.29 coo 27.05 35.80 -12.24 28.72 34.05 -10.85 3.82 22.31 109.84 1.63 20.66 109.20 ULMN 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 6 3 # 6 A 465 GLY A 222 GLY^? 13.51 O3 SO4 A 230 A 501 ASP A 208 ASP^? 7.66 O1 SO4 A 230 B 367 TYR B 228 TYR^? 12.23 O3 SO4 A 229 coo 4.40 25.46 -23.33 5.00 25.87 -23.68 -13.80 42.81 110.86 -14.29 43.18 110.33 coo 13.82 6.17 -29.83 11.78 5.87 -29.33 -15.69 43.98 89.75 -16.79 45.74 90.29 coo 27.05 35.80 -12.24 28.72 34.05 -10.85 10.57 28.77 107.84 8.55 29.75 109.51 ULMN 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 7 3 # 7 A 465 GLY B 29 GLY^? 15.41 O3 SO4 B 229 A 501 ASP A 115 ASP^? 8.58 O1 SO4 A 229 B 367 TYR B 197 TYR^? 27.50 O1 SO4 B 229 coo 4.40 25.46 -23.33 5.00 25.87 -23.68 11.30 23.21 112.72 10.85 23.02 112.05 coo 13.82 6.17 -29.83 11.78 5.87 -29.33 15.77 43.56 105.82 15.72 41.47 106.14 coo 27.05 35.80 -12.24 28.72 34.05 -10.85 17.53 10.39 88.21 19.44 8.55 89.12 ULMN 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 8 3 # 8 A 465 GLY B 29 GLY^? 15.41 O3 SO4 B 229 A 501 ASP A 138 ASP^? 13.32 O1 SO4 A 229 B 367 TYR B 197 TYR^? 27.50 O1 SO4 B 229 coo 4.40 25.46 -23.33 5.00 25.87 -23.68 11.30 23.21 112.72 10.85 23.02 112.05 coo 13.82 6.17 -29.83 11.78 5.87 -29.33 23.15 43.17 105.53 21.70 41.96 104.55 coo 27.05 35.80 -12.24 28.72 34.05 -10.85 17.53 10.39 88.21 19.44 8.55 89.12 ULMN 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 9 3 # 9 A 465 GLY B 33 GLY^? 17.96 O1 SO4 B 229 A 501 ASP A 115 ASP^? 8.58 O1 SO4 A 229 B 367 TYR B 141 TYR^? 18.84 O3 SO4 B 229 coo 4.40 25.46 -23.33 5.00 25.87 -23.68 15.72 22.10 109.54 15.48 22.46 108.84 coo 13.82 6.17 -29.83 11.78 5.87 -29.33 15.77 43.56 105.82 15.72 41.47 106.14 coo 27.05 35.80 -12.24 28.72 34.05 -10.85 -9.09 19.42 122.99 -7.89 17.76 124.89 ULMN 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 10 3 # 10 A 465 GLY B 95 GLY^? 13.84 O3 SO4 B 229 A 501 ASP B 138 ASP^? 17.24 O3 SO4 B 229 B 367 TYR B 44 TYR^? 11.15 O1 SO4 A 229 coo 4.40 25.46 -23.33 5.00 25.87 -23.68 2.66 14.51 117.22 2.05 14.37 116.70 coo 13.82 6.17 -29.83 11.78 5.87 -29.33 -19.34 21.74 114.74 -17.84 23.07 113.94 coo 27.05 35.80 -12.24 28.72 34.05 -10.85 13.68 30.43 97.38 15.80 32.10 96.60 ULMN 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 11 3 # 11 A 465 GLY B 95 GLY^? 13.84 O3 SO4 B 229 A 501 ASP B 154 ASP^? 28.34 O3 SO4 B 229 B 367 TYR A 44 TYR^? 11.44 O2 SO4 B 229 coo 4.40 25.46 -23.33 5.00 25.87 -23.68 2.66 14.51 117.22 2.05 14.37 116.70 coo 13.82 6.17 -29.83 11.78 5.87 -29.33 -19.38 9.09 123.27 -21.52 8.99 123.42 coo 27.05 35.80 -12.24 28.72 34.05 -10.85 -5.28 26.63 94.41 -7.11 24.62 93.85 ULMN 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 12 3 # 12 A 465 GLY B 95 GLY^? 13.84 O3 SO4 B 229 A 501 ASP B 154 ASP^? 28.34 O3 SO4 B 229 B 367 TYR A 45 TYR^? 12.83 O3 SO4 A 229 coo 4.40 25.46 -23.33 5.00 25.87 -23.68 2.66 14.51 117.22 2.05 14.37 116.70 coo 13.82 6.17 -29.83 11.78 5.87 -29.33 -19.38 9.09 123.27 -21.52 8.99 123.42 coo 27.05 35.80 -12.24 28.72 34.05 -10.85 -3.49 33.26 97.33 -5.14 35.38 96.58 ULMN 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 13 3 # 13 A 465 GLY B 95 GLY^? 13.84 O3 SO4 B 229 A 501 ASP B 154 ASP^? 28.34 O3 SO4 B 229 B 367 TYR A 228 TYR^? 12.29 O4 SO4 B 229 coo 4.40 25.46 -23.33 5.00 25.87 -23.68 2.66 14.51 117.22 2.05 14.37 116.70 coo 13.82 6.17 -29.83 11.78 5.87 -29.33 -19.38 9.09 123.27 -21.52 8.99 123.42 coo 27.05 35.80 -12.24 28.72 34.05 -10.85 -6.50 33.95 102.32 -5.45 34.14 104.92 ULMN 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 14 3 # 14 A 465 GLY B 95 GLY^? 13.84 O3 SO4 B 229 A 501 ASP B 208 ASP^? 25.58 O1 SO4 B 229 B 367 TYR A 228 TYR^? 12.29 O4 SO4 B 229 coo 4.40 25.46 -23.33 5.00 25.87 -23.68 2.66 14.51 117.22 2.05 14.37 116.70 coo 13.82 6.17 -29.83 11.78 5.87 -29.33 22.68 13.69 106.98 23.40 15.21 108.39 coo 27.05 35.80 -12.24 28.72 34.05 -10.85 -6.50 33.95 102.32 -5.45 34.14 104.92 ULMN 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 15 3 # 15 A 465 GLY B 113 GLY^? 19.67 O3 SO4 B 229 A 501 ASP B 178 ASP^? 25.38 O3 SO4 B 229 B 367 TYR A 44 TYR^? 11.44 O2 SO4 B 229 coo 4.40 25.46 -23.33 5.00 25.87 -23.68 -16.50 16.00 119.11 -16.15 15.37 118.67 coo 13.82 6.17 -29.83 11.78 5.87 -29.33 -4.63 -0.65 116.57 -5.43 -2.30 115.50 coo 27.05 35.80 -12.24 28.72 34.05 -10.85 -5.28 26.63 94.41 -7.11 24.62 93.85 ULMN 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 16 3 # 16 A 465 GLY B 113 GLY^? 19.67 O3 SO4 B 229 A 501 ASP B 178 ASP^? 25.38 O3 SO4 B 229 B 367 TYR A 228 TYR^? 12.29 O4 SO4 B 229 coo 4.40 25.46 -23.33 5.00 25.87 -23.68 -16.50 16.00 119.11 -16.15 15.37 118.67 coo 13.82 6.17 -29.83 11.78 5.87 -29.33 -4.63 -0.65 116.57 -5.43 -2.30 115.50 coo 27.05 35.80 -12.24 28.72 34.05 -10.85 -6.50 33.95 102.32 -5.45 34.14 104.92 ULMN 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 17 3 # 17 A 465 GLY B 130 GLY^? 19.11 O2 SO4 B 229 A 501 ASP B 152 ASP^? 28.21 O3 SO4 B 229 B 367 TYR A 44 TYR^? 11.44 O2 SO4 B 229 coo 4.40 25.46 -23.33 5.00 25.87 -23.68 -14.25 5.51 108.72 -14.86 5.83 109.14 coo 13.82 6.17 -29.83 11.78 5.87 -29.33 -23.75 16.28 125.41 -24.46 16.83 123.47 coo 27.05 35.80 -12.24 28.72 34.05 -10.85 -5.28 26.63 94.41 -7.11 24.62 93.85 ULMN 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 18 3 # 18 A 465 GLY B 222 GLY^? 22.29 O3 SO4 B 229 A 501 ASP B 208 ASP^? 25.58 O1 SO4 B 229 B 367 TYR A 27 TYR^? 6.19 O4 SO4 A 229 coo 4.40 25.46 -23.33 5.00 25.87 -23.68 12.74 26.32 121.64 13.39 25.82 121.72 coo 13.82 6.17 -29.83 11.78 5.87 -29.33 22.68 13.69 106.98 23.40 15.21 108.39 coo 27.05 35.80 -12.24 28.72 34.05 -10.85 -0.27 40.97 103.40 2.22 42.05 102.76 ULMN 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 19 3 # 19 A 465 GLY B 222 GLY^? 22.29 O3 SO4 B 229 A 501 ASP B 208 ASP^? 25.58 O1 SO4 B 229 B 367 TYR A 228 TYR^? 12.29 O4 SO4 B 229 coo 4.40 25.46 -23.33 5.00 25.87 -23.68 12.74 26.32 121.64 13.39 25.82 121.72 coo 13.82 6.17 -29.83 11.78 5.87 -29.33 22.68 13.69 106.98 23.40 15.21 108.39 coo 27.05 35.80 -12.24 28.72 34.05 -10.85 -6.50 33.95 102.32 -5.45 34.14 104.92 1mro_c00 source 1mro METHYL-COENZYME M REDUCTASE : 19 hits 1mro_c00 naa= 3 ULMN 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 1 3 # 1 D 465 GLY A 33 GLY^? 6.05 O3 SO4 A 230 D 501 ASP B 52 ASP^? 8.63 O2 SO4 B 229 E 367 TYR A 141 TYR^? 9.25 O4 SO4 A 229 coo 21.60 60.44 -42.77 21.61 59.72 -42.40 -10.92 40.03 97.83 -10.38 39.42 97.65 coo 42.23 65.30 -35.49 41.21 67.05 -36.13 -5.20 17.74 96.96 -6.16 15.91 97.49 coo 28.27 36.08 -52.91 30.75 35.88 -54.18 12.91 44.78 109.54 12.66 42.85 107.55 ULMN 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 2 3 # 2 D 465 GLY A 89 GLY^? 17.01 O1 SO4 A 230 D 501 ASP A 126 ASP^? 16.24 O1 SO4 A 229 E 367 TYR A 44 TYR^? 11.44 O2 SO4 B 229 coo 21.60 60.44 -42.77 21.61 59.72 -42.40 -4.32 51.99 94.40 -3.98 51.29 94.76 coo 42.23 65.30 -35.49 41.21 67.05 -36.13 18.12 53.54 96.53 19.31 51.77 96.80 coo 28.27 36.08 -52.91 30.75 35.88 -54.18 -5.28 26.63 94.41 -7.11 24.62 93.85 ULMN 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 3 3 # 3 D 465 GLY A 95 GLY^? 12.39 O4 SO4 A 229 D 501 ASP A 208 ASP^? 7.66 O1 SO4 A 230 E 367 TYR B 27 TYR^? 6.20 O3 SO4 B 229 coo 21.60 60.44 -42.77 21.61 59.72 -42.40 0.86 50.72 105.80 1.49 50.48 105.32 coo 42.23 65.30 -35.49 41.21 67.05 -36.13 -15.69 43.98 89.75 -16.79 45.74 90.29 coo 28.27 36.08 -52.91 30.75 35.88 -54.18 3.82 22.31 109.84 1.63 20.66 109.20 ULMN 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 4 3 # 4 D 465 GLY A 222 GLY^? 13.51 O3 SO4 A 230 D 501 ASP A 39 ASP^? 5.87 O2 SO4 A 230 E 367 TYR A 141 TYR^? 9.25 O4 SO4 A 229 coo 21.60 60.44 -42.77 21.61 59.72 -42.40 -13.80 42.81 110.86 -14.29 43.18 110.33 coo 42.23 65.30 -35.49 41.21 67.05 -36.13 -16.67 33.15 92.05 -17.20 32.80 93.99 coo 28.27 36.08 -52.91 30.75 35.88 -54.18 12.91 44.78 109.54 12.66 42.85 107.55 ULMN 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 5 3 # 5 D 465 GLY A 222 GLY^? 13.51 O3 SO4 A 230 D 501 ASP A 208 ASP^? 7.66 O1 SO4 A 230 E 367 TYR B 27 TYR^? 6.20 O3 SO4 B 229 coo 21.60 60.44 -42.77 21.61 59.72 -42.40 -13.80 42.81 110.86 -14.29 43.18 110.33 coo 42.23 65.30 -35.49 41.21 67.05 -36.13 -15.69 43.98 89.75 -16.79 45.74 90.29 coo 28.27 36.08 -52.91 30.75 35.88 -54.18 3.82 22.31 109.84 1.63 20.66 109.20 ULMN 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 6 3 # 6 D 465 GLY A 222 GLY^? 13.51 O3 SO4 A 230 D 501 ASP A 208 ASP^? 7.66 O1 SO4 A 230 E 367 TYR B 228 TYR^? 12.23 O3 SO4 A 229 coo 21.60 60.44 -42.77 21.61 59.72 -42.40 -13.80 42.81 110.86 -14.29 43.18 110.33 coo 42.23 65.30 -35.49 41.21 67.05 -36.13 -15.69 43.98 89.75 -16.79 45.74 90.29 coo 28.27 36.08 -52.91 30.75 35.88 -54.18 10.57 28.77 107.84 8.55 29.75 109.51 ULMN 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 7 3 # 7 D 465 GLY A 222 GLY^? 13.51 O3 SO4 A 230 D 501 ASP B 115 ASP^? 13.85 O3 SO4 B 229 E 367 TYR A 141 TYR^? 9.25 O4 SO4 A 229 coo 21.60 60.44 -42.77 21.61 59.72 -42.40 -13.80 42.81 110.86 -14.29 43.18 110.33 coo 42.23 65.30 -35.49 41.21 67.05 -36.13 -12.10 21.41 116.25 -11.91 23.51 116.16 coo 28.27 36.08 -52.91 30.75 35.88 -54.18 12.91 44.78 109.54 12.66 42.85 107.55 ULMN 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 8 3 # 8 D 465 GLY B 29 GLY^? 15.41 O3 SO4 B 229 D 501 ASP A 115 ASP^? 8.58 O1 SO4 A 229 E 367 TYR B 197 TYR^? 27.50 O1 SO4 B 229 coo 21.60 60.44 -42.77 21.61 59.72 -42.40 11.30 23.21 112.72 10.85 23.02 112.05 coo 42.23 65.30 -35.49 41.21 67.05 -36.13 15.77 43.56 105.82 15.72 41.47 106.14 coo 28.27 36.08 -52.91 30.75 35.88 -54.18 17.53 10.39 88.21 19.44 8.55 89.12 ULMN 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 9 3 # 9 D 465 GLY B 29 GLY^? 15.41 O3 SO4 B 229 D 501 ASP A 138 ASP^? 13.32 O1 SO4 A 229 E 367 TYR B 197 TYR^? 27.50 O1 SO4 B 229 coo 21.60 60.44 -42.77 21.61 59.72 -42.40 11.30 23.21 112.72 10.85 23.02 112.05 coo 42.23 65.30 -35.49 41.21 67.05 -36.13 23.15 43.17 105.53 21.70 41.96 104.55 coo 28.27 36.08 -52.91 30.75 35.88 -54.18 17.53 10.39 88.21 19.44 8.55 89.12 ULMN 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 10 3 # 10 D 465 GLY B 33 GLY^? 17.96 O1 SO4 B 229 D 501 ASP A 115 ASP^? 8.58 O1 SO4 A 229 E 367 TYR B 141 TYR^? 18.84 O3 SO4 B 229 coo 21.60 60.44 -42.77 21.61 59.72 -42.40 15.72 22.10 109.54 15.48 22.46 108.84 coo 42.23 65.30 -35.49 41.21 67.05 -36.13 15.77 43.56 105.82 15.72 41.47 106.14 coo 28.27 36.08 -52.91 30.75 35.88 -54.18 -9.09 19.42 122.99 -7.89 17.76 124.89 ULMN 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 11 3 # 11 D 465 GLY B 89 GLY^? 16.96 O1 SO4 B 229 D 501 ASP B 39 ASP^? 20.66 O1 SO4 A 229 E 367 TYR B 141 TYR^? 18.84 O3 SO4 B 229 coo 21.60 60.44 -42.77 21.61 59.72 -42.40 10.15 9.21 110.31 9.83 9.95 110.22 coo 42.23 65.30 -35.49 41.21 67.05 -36.13 23.84 25.31 104.29 24.42 26.93 105.50 coo 28.27 36.08 -52.91 30.75 35.88 -54.18 -9.09 19.42 122.99 -7.89 17.76 124.89 ULMN 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 12 3 # 12 D 465 GLY B 89 GLY^? 16.96 O1 SO4 B 229 D 501 ASP B 64 ASP^? 18.27 O3 SO4 A 231 E 367 TYR B 141 TYR^? 18.84 O3 SO4 B 229 coo 21.60 60.44 -42.77 21.61 59.72 -42.40 10.15 9.21 110.31 9.83 9.95 110.22 coo 42.23 65.30 -35.49 41.21 67.05 -36.13 12.23 21.46 92.76 12.58 23.03 91.40 coo 28.27 36.08 -52.91 30.75 35.88 -54.18 -9.09 19.42 122.99 -7.89 17.76 124.89 ULMN 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 13 3 # 13 D 465 GLY B 95 GLY^? 13.84 O3 SO4 B 229 D 501 ASP B 138 ASP^? 17.24 O3 SO4 B 229 E 367 TYR B 44 TYR^? 11.15 O1 SO4 A 229 coo 21.60 60.44 -42.77 21.61 59.72 -42.40 2.66 14.51 117.22 2.05 14.37 116.70 coo 42.23 65.30 -35.49 41.21 67.05 -36.13 -19.34 21.74 114.74 -17.84 23.07 113.94 coo 28.27 36.08 -52.91 30.75 35.88 -54.18 13.68 30.43 97.38 15.80 32.10 96.60 ULMN 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 14 3 # 14 D 465 GLY B 95 GLY^? 13.84 O3 SO4 B 229 D 501 ASP B 154 ASP^? 28.34 O3 SO4 B 229 E 367 TYR A 44 TYR^? 11.44 O2 SO4 B 229 coo 21.60 60.44 -42.77 21.61 59.72 -42.40 2.66 14.51 117.22 2.05 14.37 116.70 coo 42.23 65.30 -35.49 41.21 67.05 -36.13 -19.38 9.09 123.27 -21.52 8.99 123.42 coo 28.27 36.08 -52.91 30.75 35.88 -54.18 -5.28 26.63 94.41 -7.11 24.62 93.85 ULMN 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 15 3 # 15 D 465 GLY B 95 GLY^? 13.84 O3 SO4 B 229 D 501 ASP B 154 ASP^? 28.34 O3 SO4 B 229 E 367 TYR A 228 TYR^? 12.29 O4 SO4 B 229 coo 21.60 60.44 -42.77 21.61 59.72 -42.40 2.66 14.51 117.22 2.05 14.37 116.70 coo 42.23 65.30 -35.49 41.21 67.05 -36.13 -19.38 9.09 123.27 -21.52 8.99 123.42 coo 28.27 36.08 -52.91 30.75 35.88 -54.18 -6.50 33.95 102.32 -5.45 34.14 104.92 ULMN 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 16 3 # 16 D 465 GLY B 95 GLY^? 13.84 O3 SO4 B 229 D 501 ASP B 208 ASP^? 25.58 O1 SO4 B 229 E 367 TYR A 228 TYR^? 12.29 O4 SO4 B 229 coo 21.60 60.44 -42.77 21.61 59.72 -42.40 2.66 14.51 117.22 2.05 14.37 116.70 coo 42.23 65.30 -35.49 41.21 67.05 -36.13 22.68 13.69 106.98 23.40 15.21 108.39 coo 28.27 36.08 -52.91 30.75 35.88 -54.18 -6.50 33.95 102.32 -5.45 34.14 104.92 ULMN 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 17 3 # 17 D 465 GLY B 113 GLY^? 19.67 O3 SO4 B 229 D 501 ASP B 178 ASP^? 25.38 O3 SO4 B 229 E 367 TYR A 44 TYR^? 11.44 O2 SO4 B 229 coo 21.60 60.44 -42.77 21.61 59.72 -42.40 -16.50 16.00 119.11 -16.15 15.37 118.67 coo 42.23 65.30 -35.49 41.21 67.05 -36.13 -4.63 -0.65 116.57 -5.43 -2.30 115.50 coo 28.27 36.08 -52.91 30.75 35.88 -54.18 -5.28 26.63 94.41 -7.11 24.62 93.85 ULMN 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 18 3 # 18 D 465 GLY B 113 GLY^? 19.67 O3 SO4 B 229 D 501 ASP B 178 ASP^? 25.38 O3 SO4 B 229 E 367 TYR A 228 TYR^? 12.29 O4 SO4 B 229 coo 21.60 60.44 -42.77 21.61 59.72 -42.40 -16.50 16.00 119.11 -16.15 15.37 118.67 coo 42.23 65.30 -35.49 41.21 67.05 -36.13 -4.63 -0.65 116.57 -5.43 -2.30 115.50 coo 28.27 36.08 -52.91 30.75 35.88 -54.18 -6.50 33.95 102.32 -5.45 34.14 104.92 ULMN 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 19 3 # 19 D 465 GLY B 130 GLY^? 19.11 O2 SO4 B 229 D 501 ASP B 152 ASP^? 28.21 O3 SO4 B 229 E 367 TYR A 44 TYR^? 11.44 O2 SO4 B 229 coo 21.60 60.44 -42.77 21.61 59.72 -42.40 -14.25 5.51 108.72 -14.86 5.83 109.14 coo 42.23 65.30 -35.49 41.21 67.05 -36.13 -23.75 16.28 125.41 -24.46 16.83 123.47 coo 28.27 36.08 -52.91 30.75 35.88 -54.18 -5.28 26.63 94.41 -7.11 24.62 93.85 ULMN 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 20 3 # 20 D 465 GLY B 222 GLY^? 22.29 O3 SO4 B 229 D 501 ASP B 208 ASP^? 25.58 O1 SO4 B 229 E 367 TYR A 27 TYR^? 6.19 O4 SO4 A 229 coo 21.60 60.44 -42.77 21.61 59.72 -42.40 12.74 26.32 121.64 13.39 25.82 121.72 coo 42.23 65.30 -35.49 41.21 67.05 -36.13 22.68 13.69 106.98 23.40 15.21 108.39 coo 28.27 36.08 -52.91 30.75 35.88 -54.18 -0.27 40.97 103.40 2.22 42.05 102.76 ULMN 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 21 3 # 21 D 465 GLY B 222 GLY^? 22.29 O3 SO4 B 229 D 501 ASP B 208 ASP^? 25.58 O1 SO4 B 229 E 367 TYR A 228 TYR^? 12.29 O4 SO4 B 229 coo 21.60 60.44 -42.77 21.61 59.72 -42.40 12.74 26.32 121.64 13.39 25.82 121.72 coo 42.23 65.30 -35.49 41.21 67.05 -36.13 22.68 13.69 106.98 23.40 15.21 108.39 coo 28.27 36.08 -52.91 30.75 35.88 -54.18 -6.50 33.95 102.32 -5.45 34.14 104.92 1mro_c01 source 1mro METHYL-COENZYME M REDUCTASE : 21 hits 1mro_c01 naa= 3 ULMN 3 1n2t_c02 L-CYSTEINE-CYSTINE LYASE C-DES user 1 3 # 1 A 114 HIS A 142 HIS^? 12.26 O4 SO4 A 229 A 197 ASP A 115 ASP^? 8.58 O1 SO4 A 229 A 223 ALA A 155 ALA^? 20.68 O1 SO4 A 229 coo -61.68 -8.94 -28.01 -61.87 -7.73 -26.31 13.21 42.55 113.57 11.63 42.05 112.27 coo -57.09 -14.53 -30.28 -57.60 -13.32 -28.61 15.77 43.56 105.82 15.72 41.47 106.14 coo -56.49 -13.76 -16.93 -57.17 -13.93 -18.30 18.39 54.84 110.94 18.26 56.09 110.04 ULMN 3 1n2t_c02 L-CYSTEINE-CYSTINE LYASE C-DES user 2 3 # 2 A 114 HIS B 97 HIS^? 12.49 O3 SO4 B 229 A 197 ASP B 120 ASP^? 8.68 O3 SO4 B 229 A 223 ALA B 72 ALA^? 7.00 O1 SO4 B 229 coo -61.68 -8.94 -28.01 -61.87 -7.73 -26.31 -3.31 12.76 116.75 -2.66 14.35 115.55 coo -57.09 -14.53 -30.28 -57.60 -13.32 -28.61 -4.32 17.92 112.37 -3.28 16.49 113.53 coo -56.49 -13.76 -16.93 -57.17 -13.93 -18.30 -1.32 11.92 102.44 -1.03 13.40 102.60 ULMN 3 1n2t_c02 L-CYSTEINE-CYSTINE LYASE C-DES user 3 3 # 3 A 114 HIS B 97 HIS^? 12.49 O3 SO4 B 229 A 197 ASP B 120 ASP^? 8.68 O3 SO4 B 229 A 223 ALA B 188 ALA^? 10.65 O1 SO4 B 229 coo -61.68 -8.94 -28.01 -61.87 -7.73 -26.31 -3.31 12.76 116.75 -2.66 14.35 115.55 coo -57.09 -14.53 -30.28 -57.60 -13.32 -28.61 -4.32 17.92 112.37 -3.28 16.49 113.53 coo -56.49 -13.76 -16.93 -57.17 -13.93 -18.30 6.79 14.17 107.25 7.50 15.38 107.84 1n2t_c02 source 1n2t L-CYSTEINE-CYSTINE LYASE C-DES : 3 hits 1n2t_c02 naa= 3 ULMN 3 1n2t_c03 L-CYSTEINE-CYSTINE LYASE C-DES user 1 3 # 1 B 114 HIS A 142 HIS^? 12.26 O4 SO4 A 229 B 197 ASP A 115 ASP^? 8.58 O1 SO4 A 229 B 223 ALA A 155 ALA^? 20.68 O1 SO4 A 229 coo -32.24 6.73 -26.90 -32.01 5.24 -25.44 13.21 42.55 113.57 11.63 42.05 112.27 coo -36.83 12.62 -28.19 -36.31 11.10 -26.78 15.77 43.56 105.82 15.72 41.47 106.14 coo -37.23 9.70 -15.15 -36.60 10.10 -16.48 18.39 54.84 110.94 18.26 56.09 110.04 ULMN 3 1n2t_c03 L-CYSTEINE-CYSTINE LYASE C-DES user 2 3 # 2 B 114 HIS B 97 HIS^? 12.49 O3 SO4 B 229 B 197 ASP B 120 ASP^? 8.68 O3 SO4 B 229 B 223 ALA B 72 ALA^? 7.00 O1 SO4 B 229 coo -32.24 6.73 -26.90 -32.01 5.24 -25.44 -3.31 12.76 116.75 -2.66 14.35 115.55 coo -36.83 12.62 -28.19 -36.31 11.10 -26.78 -4.32 17.92 112.37 -3.28 16.49 113.53 coo -37.23 9.70 -15.15 -36.60 10.10 -16.48 -1.32 11.92 102.44 -1.03 13.40 102.60 ULMN 3 1n2t_c03 L-CYSTEINE-CYSTINE LYASE C-DES user 3 3 # 3 B 114 HIS B 97 HIS^? 12.49 O3 SO4 B 229 B 197 ASP B 120 ASP^? 8.68 O3 SO4 B 229 B 223 ALA B 188 ALA^? 10.65 O1 SO4 B 229 coo -32.24 6.73 -26.90 -32.01 5.24 -25.44 -3.31 12.76 116.75 -2.66 14.35 115.55 coo -36.83 12.62 -28.19 -36.31 11.10 -26.78 -4.32 17.92 112.37 -3.28 16.49 113.53 coo -37.23 9.70 -15.15 -36.60 10.10 -16.48 6.79 14.17 107.25 7.50 15.38 107.84 1n2t_c03 source 1n2t L-CYSTEINE-CYSTINE LYASE C-DES : 3 hits 1n2t_c03 naa= 3 ULMN 3 1nhx_c00 PHOSPHOENOLPYRUVATE CARBOXYKINASE, Cuser 1 3 # 1 A 264 HIS A 97 HIS^? 10.66 O4 SO4 A 229 A 290 LYS A 122 LYS^? 10.06 O1 SO4 A 229 A 405 ARG A 181 ARG^? 20.14 O2 SO4 A 229 coo 41.33 25.99 28.05 41.95 26.95 29.80 7.24 52.04 104.47 6.71 50.18 103.67 coo 37.11 33.75 31.82 38.72 27.95 29.90 16.00 48.82 99.35 17.27 43.58 96.56 coo 42.28 27.98 41.30 43.16 28.14 38.35 10.24 57.36 93.50 12.83 58.20 92.12 ULMN 3 1nhx_c00 PHOSPHOENOLPYRUVATE CARBOXYKINASE, Cuser 2 3 # 2 A 264 HIS B 97 HIS^? 12.49 O3 SO4 B 229 A 290 LYS B 122 LYS^? 11.60 O2 SO4 B 229 A 405 ARG B 181 ARG^? 17.91 O2 SO4 B 229 coo 41.33 25.99 28.05 41.95 26.95 29.80 -3.31 12.76 116.75 -2.66 14.35 115.55 coo 37.11 33.75 31.82 38.72 27.95 29.90 -10.43 15.56 110.86 -13.65 15.21 106.31 coo 42.28 27.98 41.30 43.16 28.14 38.35 -4.90 4.22 106.56 -7.80 3.62 107.30 1nhx_c00 source 1nhx PHOSPHOENOLPYRUVATE CARBOXYKINASE, CYTOSOLIC : 2 hits 1nhx_c00 naa= 3 ULMN 3 1ni4_c00 PYRUVATE DEHYDROGENASE E1 COMPONENT:user 1 3 # 1 B 59 GLU A 223 GLU^? 14.08 O3 SO4 A 230 B 128 HIS A 215 HIS^? -3.69 O3 SO4 A 230s C 263 HIS A 210 HIS^? 9.95 O1 SO4 A 230 coo 6.12 5.94 82.00 7.16 6.32 83.81 -17.87 45.35 109.10 -19.33 45.72 110.62 coo 12.51 16.35 80.99 13.16 14.90 82.37 -13.92 40.67 99.66 -13.69 38.69 100.32 coo 11.58 14.94 93.26 12.25 14.03 91.50 -16.02 49.92 93.97 -17.27 50.59 95.51 1ni4_c00 source 1ni4 PYRUVATE DEHYDROGENASE E1 COMPONENT: ALPHA SUB: 1 hits 1ni4_c00 naa= 3 ULMN 3 1ni4_c01 PYRUVATE DEHYDROGENASE E1 COMPONENT:user 1 3 # 1 A 263 HIS A 210 HIS^? 9.95 O1 SO4 A 230 D 59 GLU A 223 GLU^? 14.08 O3 SO4 A 230 D 128 HIS A 215 HIS^? -3.69 O3 SO4 A 230s coo 8.65 -19.64 67.59 7.76 -17.92 68.39 -16.02 49.92 93.97 -17.27 50.59 95.51 coo 12.72 -5.58 71.72 12.08 -7.54 72.22 -17.87 45.35 109.10 -19.33 45.72 110.62 coo 4.03 -8.95 63.85 3.80 -9.89 65.71 -13.92 40.67 99.66 -13.69 38.69 100.32 1ni4_c01 source 1ni4 PYRUVATE DEHYDROGENASE E1 COMPONENT: ALPHA SUB: 1 hits 1ni4_c01 naa= 3 ULMN 3 1nu3_c00 LIMONENE-1,2-EPOXIDE HYDROLASE user 1 3 # 1 A 99 ARG A 102 ARG^? 26.30 O1 SO4 A 229 A 101 ASP A 154 ASP^? 25.59 O1 SO4 A 229 A 132 ASP A 152 ASP^? 26.69 O1 SO4 A 229 coo 11.61 22.83 17.30 14.06 21.71 15.78 20.87 56.76 118.88 22.55 56.51 116.31 coo 11.37 24.94 11.48 12.48 24.45 13.28 22.41 56.72 112.09 24.50 56.74 112.55 coo 16.14 18.17 13.37 15.92 19.81 14.71 26.30 50.40 115.87 28.14 49.86 116.76 ULMN 3 1nu3_c00 LIMONENE-1,2-EPOXIDE HYDROLASE user 2 3 # 2 A 99 ARG A 111 ARG^? 23.82 O1 SO4 A 229 A 101 ASP A 152 ASP^? 26.69 O1 SO4 A 229 A 132 ASP A 154 ASP^? 25.59 O1 SO4 A 229 coo 11.61 22.83 17.30 14.06 21.71 15.78 27.79 53.22 110.53 27.99 50.20 111.12 coo 11.37 24.94 11.48 12.48 24.45 13.28 26.30 50.40 115.87 28.14 49.86 116.76 coo 16.14 18.17 13.37 15.92 19.81 14.71 22.41 56.72 112.09 24.50 56.74 112.55 ULMN 3 1nu3_c00 LIMONENE-1,2-EPOXIDE HYDROLASE user 3 3 # 3 A 99 ARG A 111 ARG^? 23.82 O1 SO4 A 229 A 101 ASP A 154 ASP^? 25.59 O1 SO4 A 229 A 132 ASP A 152 ASP^? 26.69 O1 SO4 A 229 coo 11.61 22.83 17.30 14.06 21.71 15.78 27.79 53.22 110.53 27.99 50.20 111.12 coo 11.37 24.94 11.48 12.48 24.45 13.28 22.41 56.72 112.09 24.50 56.74 112.55 coo 16.14 18.17 13.37 15.92 19.81 14.71 26.30 50.40 115.87 28.14 49.86 116.76 ULMN 3 1nu3_c00 LIMONENE-1,2-EPOXIDE HYDROLASE user 4 3 # 4 A 99 ARG A 193 ARG^? 10.95 O4 SO4 A 231 A 101 ASP A 196 ASP^? 13.16 O4 SO4 A 231 A 132 ASP A 64 ASP^? 16.48 O4 SO4 A 231 coo 11.61 22.83 17.30 14.06 21.71 15.78 5.91 33.86 82.10 3.69 32.12 83.32 coo 11.37 24.94 11.48 12.48 24.45 13.28 1.09 35.34 80.24 -0.14 33.75 80.95 coo 16.14 18.17 13.37 15.92 19.81 14.71 -0.89 32.13 86.35 -1.06 30.06 86.04 ULMN 3 1nu3_c00 LIMONENE-1,2-EPOXIDE HYDROLASE user 5 3 # 5 A 99 ARG B 102 ARG^? 29.89 O3 SO4 B 229 A 101 ASP B 154 ASP^? 28.34 O3 SO4 B 229 A 132 ASP B 152 ASP^? 28.21 O3 SO4 B 229 coo 11.61 22.83 17.30 14.06 21.71 15.78 -18.79 9.83 130.39 -20.19 10.03 127.65 coo 11.37 24.94 11.48 12.48 24.45 13.28 -19.38 9.09 123.27 -21.52 8.99 123.42 coo 16.14 18.17 13.37 15.92 19.81 14.71 -23.75 16.28 125.41 -24.46 16.83 123.47 ULMN 3 1nu3_c00 LIMONENE-1,2-EPOXIDE HYDROLASE user 6 3 # 6 A 99 ARG B 111 ARG^? 27.08 O3 SO4 B 229 A 101 ASP B 152 ASP^? 28.21 O3 SO4 B 229 A 132 ASP B 154 ASP^? 28.34 O3 SO4 B 229 coo 11.61 22.83 17.30 14.06 21.71 15.78 -24.28 12.69 119.80 -25.14 15.67 120.10 coo 11.37 24.94 11.48 12.48 24.45 13.28 -23.75 16.28 125.41 -24.46 16.83 123.47 coo 16.14 18.17 13.37 15.92 19.81 14.71 -19.38 9.09 123.27 -21.52 8.99 123.42 ULMN 3 1nu3_c00 LIMONENE-1,2-EPOXIDE HYDROLASE user 7 3 # 7 A 99 ARG B 111 ARG^? 27.08 O3 SO4 B 229 A 101 ASP B 154 ASP^? 28.34 O3 SO4 B 229 A 132 ASP B 152 ASP^? 28.21 O3 SO4 B 229 coo 11.61 22.83 17.30 14.06 21.71 15.78 -24.28 12.69 119.80 -25.14 15.67 120.10 coo 11.37 24.94 11.48 12.48 24.45 13.28 -19.38 9.09 123.27 -21.52 8.99 123.42 coo 16.14 18.17 13.37 15.92 19.81 14.71 -23.75 16.28 125.41 -24.46 16.83 123.47 ULMN 3 1nu3_c00 LIMONENE-1,2-EPOXIDE HYDROLASE user 8 3 # 8 A 99 ARG B 117 ARG^? 15.21 O3 SO4 B 229 A 101 ASP B 115 ASP^? 13.85 O3 SO4 B 229 A 132 ASP B 138 ASP^? 17.24 O3 SO4 B 229 coo 11.61 22.83 17.30 14.06 21.71 15.78 -11.94 27.43 114.35 -11.31 26.82 117.30 coo 11.37 24.94 11.48 12.48 24.45 13.28 -12.10 21.41 116.25 -11.91 23.51 116.16 coo 16.14 18.17 13.37 15.92 19.81 14.71 -19.34 21.74 114.74 -17.84 23.07 113.94 ULMN 3 1nu3_c00 LIMONENE-1,2-EPOXIDE HYDROLASE user 9 3 # 9 A 99 ARG B 193 ARG^? 19.35 O1 SO4 B 229 A 101 ASP B 196 ASP^? 21.51 O1 SO4 B 229 A 132 ASP B 64 ASP^? 18.27 O3 SO4 A 231 coo 11.61 22.83 17.30 14.06 21.71 15.78 7.25 16.45 87.82 9.33 18.65 88.34 coo 11.37 24.94 11.48 12.48 24.45 13.28 12.23 15.64 88.97 13.40 17.43 88.99 coo 16.14 18.17 13.37 15.92 19.81 14.71 12.23 21.46 92.76 12.58 23.03 91.40 1nu3_c00 source 1nu3 LIMONENE-1,2-EPOXIDE HYDROLASE : 9 hits 1nu3_c00 naa= 3 ULMN 3 1nu3_c01 LIMONENE-1,2-EPOXIDE HYDROLASE user 1 3 # 1 B 99 ARG A 102 ARG^? 26.30 O1 SO4 A 229 B 101 ASP A 154 ASP^? 25.59 O1 SO4 A 229 B 132 ASP A 152 ASP^? 26.69 O1 SO4 A 229 coo 11.61 3.43 18.38 9.11 4.29 16.86 20.87 56.76 118.88 22.55 56.51 116.31 coo 11.74 0.51 12.98 10.75 1.32 14.67 22.41 56.72 112.09 24.50 56.74 112.55 coo 6.93 7.52 14.08 7.18 6.08 15.65 26.30 50.40 115.87 28.14 49.86 116.76 ULMN 3 1nu3_c01 LIMONENE-1,2-EPOXIDE HYDROLASE user 2 3 # 2 B 99 ARG A 111 ARG^? 23.82 O1 SO4 A 229 B 101 ASP A 152 ASP^? 26.69 O1 SO4 A 229 B 132 ASP A 154 ASP^? 25.59 O1 SO4 A 229 coo 11.61 3.43 18.38 9.11 4.29 16.86 27.79 53.22 110.53 27.99 50.20 111.12 coo 11.74 0.51 12.98 10.75 1.32 14.67 26.30 50.40 115.87 28.14 49.86 116.76 coo 6.93 7.52 14.08 7.18 6.08 15.65 22.41 56.72 112.09 24.50 56.74 112.55 ULMN 3 1nu3_c01 LIMONENE-1,2-EPOXIDE HYDROLASE user 3 3 # 3 B 99 ARG A 111 ARG^? 23.82 O1 SO4 A 229 B 101 ASP A 154 ASP^? 25.59 O1 SO4 A 229 B 132 ASP A 152 ASP^? 26.69 O1 SO4 A 229 coo 11.61 3.43 18.38 9.11 4.29 16.86 27.79 53.22 110.53 27.99 50.20 111.12 coo 11.74 0.51 12.98 10.75 1.32 14.67 22.41 56.72 112.09 24.50 56.74 112.55 coo 6.93 7.52 14.08 7.18 6.08 15.65 26.30 50.40 115.87 28.14 49.86 116.76 ULMN 3 1nu3_c01 LIMONENE-1,2-EPOXIDE HYDROLASE user 4 3 # 4 B 99 ARG A 193 ARG^? 10.95 O4 SO4 A 231 B 101 ASP A 196 ASP^? 13.16 O4 SO4 A 231 B 132 ASP A 64 ASP^? 16.48 O4 SO4 A 231 coo 11.61 3.43 18.38 9.11 4.29 16.86 5.91 33.86 82.10 3.69 32.12 83.32 coo 11.74 0.51 12.98 10.75 1.32 14.67 1.09 35.34 80.24 -0.14 33.75 80.95 coo 6.93 7.52 14.08 7.18 6.08 15.65 -0.89 32.13 86.35 -1.06 30.06 86.04 ULMN 3 1nu3_c01 LIMONENE-1,2-EPOXIDE HYDROLASE user 5 3 # 5 B 99 ARG B 102 ARG^? 29.89 O3 SO4 B 229 B 101 ASP B 154 ASP^? 28.34 O3 SO4 B 229 B 132 ASP B 152 ASP^? 28.21 O3 SO4 B 229 coo 11.61 3.43 18.38 9.11 4.29 16.86 -18.79 9.83 130.39 -20.19 10.03 127.65 coo 11.74 0.51 12.98 10.75 1.32 14.67 -19.38 9.09 123.27 -21.52 8.99 123.42 coo 6.93 7.52 14.08 7.18 6.08 15.65 -23.75 16.28 125.41 -24.46 16.83 123.47 ULMN 3 1nu3_c01 LIMONENE-1,2-EPOXIDE HYDROLASE user 6 3 # 6 B 99 ARG B 111 ARG^? 27.08 O3 SO4 B 229 B 101 ASP B 152 ASP^? 28.21 O3 SO4 B 229 B 132 ASP B 154 ASP^? 28.34 O3 SO4 B 229 coo 11.61 3.43 18.38 9.11 4.29 16.86 -24.28 12.69 119.80 -25.14 15.67 120.10 coo 11.74 0.51 12.98 10.75 1.32 14.67 -23.75 16.28 125.41 -24.46 16.83 123.47 coo 6.93 7.52 14.08 7.18 6.08 15.65 -19.38 9.09 123.27 -21.52 8.99 123.42 ULMN 3 1nu3_c01 LIMONENE-1,2-EPOXIDE HYDROLASE user 7 3 # 7 B 99 ARG B 111 ARG^? 27.08 O3 SO4 B 229 B 101 ASP B 154 ASP^? 28.34 O3 SO4 B 229 B 132 ASP B 152 ASP^? 28.21 O3 SO4 B 229 coo 11.61 3.43 18.38 9.11 4.29 16.86 -24.28 12.69 119.80 -25.14 15.67 120.10 coo 11.74 0.51 12.98 10.75 1.32 14.67 -19.38 9.09 123.27 -21.52 8.99 123.42 coo 6.93 7.52 14.08 7.18 6.08 15.65 -23.75 16.28 125.41 -24.46 16.83 123.47 ULMN 3 1nu3_c01 LIMONENE-1,2-EPOXIDE HYDROLASE user 8 3 # 8 B 99 ARG B 117 ARG^? 15.21 O3 SO4 B 229 B 101 ASP B 115 ASP^? 13.85 O3 SO4 B 229 B 132 ASP B 138 ASP^? 17.24 O3 SO4 B 229 coo 11.61 3.43 18.38 9.11 4.29 16.86 -11.94 27.43 114.35 -11.31 26.82 117.30 coo 11.74 0.51 12.98 10.75 1.32 14.67 -12.10 21.41 116.25 -11.91 23.51 116.16 coo 6.93 7.52 14.08 7.18 6.08 15.65 -19.34 21.74 114.74 -17.84 23.07 113.94 ULMN 3 1nu3_c01 LIMONENE-1,2-EPOXIDE HYDROLASE user 9 3 # 9 B 99 ARG B 193 ARG^? 19.35 O1 SO4 B 229 B 101 ASP B 196 ASP^? 21.51 O1 SO4 B 229 B 132 ASP B 64 ASP^? 18.27 O3 SO4 A 231 coo 11.61 3.43 18.38 9.11 4.29 16.86 7.25 16.45 87.82 9.33 18.65 88.34 coo 11.74 0.51 12.98 10.75 1.32 14.67 12.23 15.64 88.97 13.40 17.43 88.99 coo 6.93 7.52 14.08 7.18 6.08 15.65 12.23 21.46 92.76 12.58 23.03 91.40 1nu3_c01 source 1nu3 LIMONENE-1,2-EPOXIDE HYDROLASE : 9 hits 1nu3_c01 naa= 3 ULMN 3 1nww_c02 LIMONENE-1,2-EPOXIDE HYDROLASE user 1 3 # 1 A 99 ARG A 102 ARG^? 26.30 O1 SO4 A 229 A 101 ASP A 154 ASP^? 25.59 O1 SO4 A 229 A 132 ASP A 152 ASP^? 26.69 O1 SO4 A 229 coo 11.50 22.77 17.24 14.00 21.62 15.86 20.87 56.76 118.88 22.55 56.51 116.31 coo 11.19 25.00 11.76 12.16 24.45 13.59 22.41 56.72 112.09 24.50 56.74 112.55 coo 16.04 18.11 13.43 15.88 19.70 14.83 26.30 50.40 115.87 28.14 49.86 116.76 ULMN 3 1nww_c02 LIMONENE-1,2-EPOXIDE HYDROLASE user 2 3 # 2 A 99 ARG A 111 ARG^? 23.82 O1 SO4 A 229 A 101 ASP A 152 ASP^? 26.69 O1 SO4 A 229 A 132 ASP A 154 ASP^? 25.59 O1 SO4 A 229 coo 11.50 22.77 17.24 14.00 21.62 15.86 27.79 53.22 110.53 27.99 50.20 111.12 coo 11.19 25.00 11.76 12.16 24.45 13.59 26.30 50.40 115.87 28.14 49.86 116.76 coo 16.04 18.11 13.43 15.88 19.70 14.83 22.41 56.72 112.09 24.50 56.74 112.55 ULMN 3 1nww_c02 LIMONENE-1,2-EPOXIDE HYDROLASE user 3 3 # 3 A 99 ARG A 111 ARG^? 23.82 O1 SO4 A 229 A 101 ASP A 154 ASP^? 25.59 O1 SO4 A 229 A 132 ASP A 152 ASP^? 26.69 O1 SO4 A 229 coo 11.50 22.77 17.24 14.00 21.62 15.86 27.79 53.22 110.53 27.99 50.20 111.12 coo 11.19 25.00 11.76 12.16 24.45 13.59 22.41 56.72 112.09 24.50 56.74 112.55 coo 16.04 18.11 13.43 15.88 19.70 14.83 26.30 50.40 115.87 28.14 49.86 116.76 ULMN 3 1nww_c02 LIMONENE-1,2-EPOXIDE HYDROLASE user 4 3 # 4 A 99 ARG A 193 ARG^? 10.95 O4 SO4 A 231 A 101 ASP A 196 ASP^? 13.16 O4 SO4 A 231 A 132 ASP A 64 ASP^? 16.48 O4 SO4 A 231 coo 11.50 22.77 17.24 14.00 21.62 15.86 5.91 33.86 82.10 3.69 32.12 83.32 coo 11.19 25.00 11.76 12.16 24.45 13.59 1.09 35.34 80.24 -0.14 33.75 80.95 coo 16.04 18.11 13.43 15.88 19.70 14.83 -0.89 32.13 86.35 -1.06 30.06 86.04 ULMN 3 1nww_c02 LIMONENE-1,2-EPOXIDE HYDROLASE user 5 3 # 5 A 99 ARG B 111 ARG^? 27.08 O3 SO4 B 229 A 101 ASP B 152 ASP^? 28.21 O3 SO4 B 229 A 132 ASP B 154 ASP^? 28.34 O3 SO4 B 229 coo 11.50 22.77 17.24 14.00 21.62 15.86 -24.28 12.69 119.80 -25.14 15.67 120.10 coo 11.19 25.00 11.76 12.16 24.45 13.59 -23.75 16.28 125.41 -24.46 16.83 123.47 coo 16.04 18.11 13.43 15.88 19.70 14.83 -19.38 9.09 123.27 -21.52 8.99 123.42 ULMN 3 1nww_c02 LIMONENE-1,2-EPOXIDE HYDROLASE user 6 3 # 6 A 99 ARG B 111 ARG^? 27.08 O3 SO4 B 229 A 101 ASP B 154 ASP^? 28.34 O3 SO4 B 229 A 132 ASP B 152 ASP^? 28.21 O3 SO4 B 229 coo 11.50 22.77 17.24 14.00 21.62 15.86 -24.28 12.69 119.80 -25.14 15.67 120.10 coo 11.19 25.00 11.76 12.16 24.45 13.59 -19.38 9.09 123.27 -21.52 8.99 123.42 coo 16.04 18.11 13.43 15.88 19.70 14.83 -23.75 16.28 125.41 -24.46 16.83 123.47 ULMN 3 1nww_c02 LIMONENE-1,2-EPOXIDE HYDROLASE user 7 3 # 7 A 99 ARG B 117 ARG^? 15.21 O3 SO4 B 229 A 101 ASP B 115 ASP^? 13.85 O3 SO4 B 229 A 132 ASP B 138 ASP^? 17.24 O3 SO4 B 229 coo 11.50 22.77 17.24 14.00 21.62 15.86 -11.94 27.43 114.35 -11.31 26.82 117.30 coo 11.19 25.00 11.76 12.16 24.45 13.59 -12.10 21.41 116.25 -11.91 23.51 116.16 coo 16.04 18.11 13.43 15.88 19.70 14.83 -19.34 21.74 114.74 -17.84 23.07 113.94 ULMN 3 1nww_c02 LIMONENE-1,2-EPOXIDE HYDROLASE user 8 3 # 8 A 99 ARG B 193 ARG^? 19.35 O1 SO4 B 229 A 101 ASP B 196 ASP^? 21.51 O1 SO4 B 229 A 132 ASP B 64 ASP^? 18.27 O3 SO4 A 231 coo 11.50 22.77 17.24 14.00 21.62 15.86 7.25 16.45 87.82 9.33 18.65 88.34 coo 11.19 25.00 11.76 12.16 24.45 13.59 12.23 15.64 88.97 13.40 17.43 88.99 coo 16.04 18.11 13.43 15.88 19.70 14.83 12.23 21.46 92.76 12.58 23.03 91.40 1nww_c02 source 1nww LIMONENE-1,2-EPOXIDE HYDROLASE : 8 hits 1nww_c02 naa= 3 ULMN 3 1nww_c03 LIMONENE-1,2-EPOXIDE HYDROLASE user 1 3 # 1 B 99 ARG A 102 ARG^? 26.30 O1 SO4 A 229 B 101 ASP A 154 ASP^? 25.59 O1 SO4 A 229 B 132 ASP A 152 ASP^? 26.69 O1 SO4 A 229 coo 11.48 3.09 18.25 9.01 4.07 16.77 20.87 56.76 118.88 22.55 56.51 116.31 coo 11.83 0.33 13.01 10.88 1.04 14.81 22.41 56.72 112.09 24.50 56.74 112.55 coo 6.85 7.33 14.07 7.10 5.88 15.60 26.30 50.40 115.87 28.14 49.86 116.76 ULMN 3 1nww_c03 LIMONENE-1,2-EPOXIDE HYDROLASE user 2 3 # 2 B 99 ARG A 111 ARG^? 23.82 O1 SO4 A 229 B 101 ASP A 152 ASP^? 26.69 O1 SO4 A 229 B 132 ASP A 154 ASP^? 25.59 O1 SO4 A 229 coo 11.48 3.09 18.25 9.01 4.07 16.77 27.79 53.22 110.53 27.99 50.20 111.12 coo 11.83 0.33 13.01 10.88 1.04 14.81 26.30 50.40 115.87 28.14 49.86 116.76 coo 6.85 7.33 14.07 7.10 5.88 15.60 22.41 56.72 112.09 24.50 56.74 112.55 ULMN 3 1nww_c03 LIMONENE-1,2-EPOXIDE HYDROLASE user 3 3 # 3 B 99 ARG A 111 ARG^? 23.82 O1 SO4 A 229 B 101 ASP A 154 ASP^? 25.59 O1 SO4 A 229 B 132 ASP A 152 ASP^? 26.69 O1 SO4 A 229 coo 11.48 3.09 18.25 9.01 4.07 16.77 27.79 53.22 110.53 27.99 50.20 111.12 coo 11.83 0.33 13.01 10.88 1.04 14.81 22.41 56.72 112.09 24.50 56.74 112.55 coo 6.85 7.33 14.07 7.10 5.88 15.60 26.30 50.40 115.87 28.14 49.86 116.76 ULMN 3 1nww_c03 LIMONENE-1,2-EPOXIDE HYDROLASE user 4 3 # 4 B 99 ARG A 193 ARG^? 10.95 O4 SO4 A 231 B 101 ASP A 196 ASP^? 13.16 O4 SO4 A 231 B 132 ASP A 64 ASP^? 16.48 O4 SO4 A 231 coo 11.48 3.09 18.25 9.01 4.07 16.77 5.91 33.86 82.10 3.69 32.12 83.32 coo 11.83 0.33 13.01 10.88 1.04 14.81 1.09 35.34 80.24 -0.14 33.75 80.95 coo 6.85 7.33 14.07 7.10 5.88 15.60 -0.89 32.13 86.35 -1.06 30.06 86.04 ULMN 3 1nww_c03 LIMONENE-1,2-EPOXIDE HYDROLASE user 5 3 # 5 B 99 ARG B 102 ARG^? 29.89 O3 SO4 B 229 B 101 ASP B 154 ASP^? 28.34 O3 SO4 B 229 B 132 ASP B 152 ASP^? 28.21 O3 SO4 B 229 coo 11.48 3.09 18.25 9.01 4.07 16.77 -18.79 9.83 130.39 -20.19 10.03 127.65 coo 11.83 0.33 13.01 10.88 1.04 14.81 -19.38 9.09 123.27 -21.52 8.99 123.42 coo 6.85 7.33 14.07 7.10 5.88 15.60 -23.75 16.28 125.41 -24.46 16.83 123.47 ULMN 3 1nww_c03 LIMONENE-1,2-EPOXIDE HYDROLASE user 6 3 # 6 B 99 ARG B 111 ARG^? 27.08 O3 SO4 B 229 B 101 ASP B 152 ASP^? 28.21 O3 SO4 B 229 B 132 ASP B 154 ASP^? 28.34 O3 SO4 B 229 coo 11.48 3.09 18.25 9.01 4.07 16.77 -24.28 12.69 119.80 -25.14 15.67 120.10 coo 11.83 0.33 13.01 10.88 1.04 14.81 -23.75 16.28 125.41 -24.46 16.83 123.47 coo 6.85 7.33 14.07 7.10 5.88 15.60 -19.38 9.09 123.27 -21.52 8.99 123.42 ULMN 3 1nww_c03 LIMONENE-1,2-EPOXIDE HYDROLASE user 7 3 # 7 B 99 ARG B 111 ARG^? 27.08 O3 SO4 B 229 B 101 ASP B 154 ASP^? 28.34 O3 SO4 B 229 B 132 ASP B 152 ASP^? 28.21 O3 SO4 B 229 coo 11.48 3.09 18.25 9.01 4.07 16.77 -24.28 12.69 119.80 -25.14 15.67 120.10 coo 11.83 0.33 13.01 10.88 1.04 14.81 -19.38 9.09 123.27 -21.52 8.99 123.42 coo 6.85 7.33 14.07 7.10 5.88 15.60 -23.75 16.28 125.41 -24.46 16.83 123.47 ULMN 3 1nww_c03 LIMONENE-1,2-EPOXIDE HYDROLASE user 8 3 # 8 B 99 ARG B 117 ARG^? 15.21 O3 SO4 B 229 B 101 ASP B 115 ASP^? 13.85 O3 SO4 B 229 B 132 ASP B 138 ASP^? 17.24 O3 SO4 B 229 coo 11.48 3.09 18.25 9.01 4.07 16.77 -11.94 27.43 114.35 -11.31 26.82 117.30 coo 11.83 0.33 13.01 10.88 1.04 14.81 -12.10 21.41 116.25 -11.91 23.51 116.16 coo 6.85 7.33 14.07 7.10 5.88 15.60 -19.34 21.74 114.74 -17.84 23.07 113.94 ULMN 3 1nww_c03 LIMONENE-1,2-EPOXIDE HYDROLASE user 9 3 # 9 B 99 ARG B 193 ARG^? 19.35 O1 SO4 B 229 B 101 ASP B 196 ASP^? 21.51 O1 SO4 B 229 B 132 ASP B 64 ASP^? 18.27 O3 SO4 A 231 coo 11.48 3.09 18.25 9.01 4.07 16.77 7.25 16.45 87.82 9.33 18.65 88.34 coo 11.83 0.33 13.01 10.88 1.04 14.81 12.23 15.64 88.97 13.40 17.43 88.99 coo 6.85 7.33 14.07 7.10 5.88 15.60 12.23 21.46 92.76 12.58 23.03 91.40 1nww_c03 source 1nww LIMONENE-1,2-EPOXIDE HYDROLASE : 9 hits 1nww_c03 naa= 3 ULMN 3 1o98_c00 2,3-BISPHOSPHOGLYCERATE-INDEPENDENT user 1 3 # 1 A 62 SER A 118 SER^? 6.22 O1 SO4 A 229 A 154 ASP A 138 ASP^? 13.32 O1 SO4 A 229 A 261 ARG A 117 ARG^? 9.09 O1 SO4 A 229 coo 16.10 74.10 3.11 17.18 73.52 5.20 12.94 43.53 101.47 11.74 45.37 102.38 coo 16.07 84.71 8.14 15.20 82.81 8.14 23.15 43.17 105.53 21.70 41.96 104.55 coo 10.59 77.85 4.81 13.09 76.36 5.76 15.20 37.23 104.25 15.70 38.54 107.02 ULMN 3 1o98_c00 2,3-BISPHOSPHOGLYCERATE-INDEPENDENT user 2 3 # 2 A 62 SER A 144 SER^? 15.12 O1 SO4 A 229 A 154 ASP A 138 ASP^? 13.32 O1 SO4 A 229 A 261 ARG A 147 ARG^? 22.82 O1 SO4 A 229 coo 16.10 74.10 3.11 17.18 73.52 5.20 18.44 47.73 113.02 18.01 47.36 110.65 coo 16.07 84.71 8.14 15.20 82.81 8.14 23.15 43.17 105.53 21.70 41.96 104.55 coo 10.59 77.85 4.81 13.09 76.36 5.76 24.36 47.03 115.74 26.68 46.87 113.69 ULMN 3 1o98_c00 2,3-BISPHOSPHOGLYCERATE-INDEPENDENT user 3 3 # 3 A 62 SER A 144 SER^? 15.12 O1 SO4 A 229 A 154 ASP A 154 ASP^? 25.59 O1 SO4 A 229 A 261 ARG A 147 ARG^? 22.82 O1 SO4 A 229 coo 16.10 74.10 3.11 17.18 73.52 5.20 18.44 47.73 113.02 18.01 47.36 110.65 coo 16.07 84.71 8.14 15.20 82.81 8.14 22.41 56.72 112.09 24.50 56.74 112.55 coo 10.59 77.85 4.81 13.09 76.36 5.76 24.36 47.03 115.74 26.68 46.87 113.69 ULMN 3 1o98_c00 2,3-BISPHOSPHOGLYCERATE-INDEPENDENT user 4 3 # 4 A 62 SER B 118 SER^? 9.02 O3 SO4 B 229 A 154 ASP B 138 ASP^? 17.24 O3 SO4 B 229 A 261 ARG B 117 ARG^? 15.21 O3 SO4 B 229 coo 16.10 74.10 3.11 17.18 73.52 5.20 -8.83 21.42 112.28 -7.48 20.01 113.71 coo 16.07 84.71 8.14 15.20 82.81 8.14 -19.34 21.74 114.74 -17.84 23.07 113.94 coo 10.59 77.85 4.81 13.09 76.36 5.76 -11.94 27.43 114.35 -11.31 26.82 117.30 ULMN 3 1o98_c00 2,3-BISPHOSPHOGLYCERATE-INDEPENDENT user 5 3 # 5 A 62 SER B 144 SER^? 19.71 O3 SO4 B 229 A 154 ASP B 138 ASP^? 17.24 O3 SO4 B 229 A 261 ARG B 147 ARG^? 25.99 O3 SO4 B 229 coo 16.10 74.10 3.11 17.18 73.52 5.20 -15.61 18.40 123.69 -14.86 18.39 121.37 coo 16.07 84.71 8.14 15.20 82.81 8.14 -19.34 21.74 114.74 -17.84 23.07 113.94 coo 10.59 77.85 4.81 13.09 76.36 5.76 -21.61 19.82 125.35 -22.38 21.70 123.03 ULMN 3 1o98_c00 2,3-BISPHOSPHOGLYCERATE-INDEPENDENT user 6 3 # 6 A 62 SER B 144 SER^? 19.71 O3 SO4 B 229 A 154 ASP B 154 ASP^? 28.34 O3 SO4 B 229 A 261 ARG B 147 ARG^? 25.99 O3 SO4 B 229 coo 16.10 74.10 3.11 17.18 73.52 5.20 -15.61 18.40 123.69 -14.86 18.39 121.37 coo 16.07 84.71 8.14 15.20 82.81 8.14 -19.38 9.09 123.27 -21.52 8.99 123.42 coo 10.59 77.85 4.81 13.09 76.36 5.76 -21.61 19.82 125.35 -22.38 21.70 123.03 1o98_c00 source 1o98 2,3-BISPHOSPHOGLYCERATE-INDEPENDENT PHOSPHOGLY: 6 hits 1o98_c00 naa= 3 ULMN 3 1ofd_c02 FERREDOXIN-DEPENDENT GLUTAMATE SYNTHuser 1 3 # 1 A 1 CYH A 57 CYH^? 11.87 O3 SO4 A 229 A 903 GLU B 87 GLU^? 17.71 O1 SO4 B 229 A 972 LYS B 209 LYS^? 20.92 O1 SO4 B 229 coo 88.42 112.53 24.94 87.72 110.88 27.11 9.42 32.30 89.74 9.90 31.16 92.16 coo 61.58 117.15 13.99 62.31 115.51 15.12 10.05 8.18 103.44 9.48 6.19 103.45 coo 60.18 107.64 21.53 58.13 110.55 17.14 18.15 13.29 108.56 15.24 7.74 107.09 ULMN 3 1ofd_c02 FERREDOXIN-DEPENDENT GLUTAMATE SYNTHuser 2 3 # 2 A 1 CYH A 57 CYH^? 11.87 O3 SO4 A 229 A 903 GLU B 187 GLU^? 15.82 O1 SO4 B 229 A 972 LYS B 209 LYS^? 20.92 O1 SO4 B 229 coo 88.42 112.53 24.94 87.72 110.88 27.11 9.42 32.30 89.74 9.90 31.16 92.16 coo 61.58 117.15 13.99 62.31 115.51 15.12 5.79 8.67 109.77 5.71 6.74 108.88 coo 60.18 107.64 21.53 58.13 110.55 17.14 18.15 13.29 108.56 15.24 7.74 107.09 ULMN 3 1ofd_c02 FERREDOXIN-DEPENDENT GLUTAMATE SYNTHuser 3 3 # 3 A 1 CYH B 57 CYH^? 12.18 O4 SO4 B 229 A 903 GLU A 87 GLU^? 17.80 O2 SO4 A 229 A 972 LYS A 209 LYS^? -15.38 O1 SO4 A 230s coo 88.42 112.53 24.94 87.72 110.88 27.11 1.42 21.45 91.40 -0.02 23.70 92.33 coo 61.58 117.15 13.99 62.31 115.51 15.12 -1.36 49.08 88.76 -0.85 50.53 87.31 coo 60.18 107.64 21.53 58.13 110.55 17.14 -11.65 46.61 90.96 -7.59 51.79 90.86 ULMN 3 1ofd_c02 FERREDOXIN-DEPENDENT GLUTAMATE SYNTHuser 4 3 # 4 A 1 CYH B 57 CYH^? 12.18 O4 SO4 B 229 A 903 GLU A 187 GLU^? 15.53 O2 SO4 A 229 A 972 LYS A 209 LYS^? -15.38 O1 SO4 A 230s coo 88.42 112.53 24.94 87.72 110.88 27.11 1.42 21.45 91.40 -0.02 23.70 92.33 coo 61.58 117.15 13.99 62.31 115.51 15.12 -0.92 50.23 94.11 -1.07 51.49 92.41 coo 60.18 107.64 21.53 58.13 110.55 17.14 -11.65 46.61 90.96 -7.59 51.79 90.86 1ofd_c02 source 1ofd FERREDOXIN-DEPENDENT GLUTAMATE SYNTHASE 2 : 4 hits 1ofd_c02 naa= 3 ULMN 3 1ofd_c03 FERREDOXIN-DEPENDENT GLUTAMATE SYNTHuser 1 3 # 1 B 1 CYH A 57 CYH^? 11.87 O3 SO4 A 229 B 903 GLU B 87 GLU^? 17.71 O1 SO4 B 229 B 972 LYS B 209 LYS^? 20.92 O1 SO4 B 229 coo 31.47 38.87 24.90 30.94 36.98 26.93 9.42 32.30 89.74 9.90 31.16 92.16 coo 4.13 40.53 14.21 5.06 38.89 15.19 10.05 8.18 103.44 9.48 6.19 103.45 coo 4.08 30.40 21.12 1.62 33.28 16.83 18.15 13.29 108.56 15.24 7.74 107.09 ULMN 3 1ofd_c03 FERREDOXIN-DEPENDENT GLUTAMATE SYNTHuser 2 3 # 2 B 1 CYH A 57 CYH^? 11.87 O3 SO4 A 229 B 903 GLU B 187 GLU^? 15.82 O1 SO4 B 229 B 972 LYS B 209 LYS^? 20.92 O1 SO4 B 229 coo 31.47 38.87 24.90 30.94 36.98 26.93 9.42 32.30 89.74 9.90 31.16 92.16 coo 4.13 40.53 14.21 5.06 38.89 15.19 5.79 8.67 109.77 5.71 6.74 108.88 coo 4.08 30.40 21.12 1.62 33.28 16.83 18.15 13.29 108.56 15.24 7.74 107.09 ULMN 3 1ofd_c03 FERREDOXIN-DEPENDENT GLUTAMATE SYNTHuser 3 3 # 3 B 1 CYH B 57 CYH^? 12.18 O4 SO4 B 229 B 903 GLU A 87 GLU^? 17.80 O2 SO4 A 229 B 972 LYS A 209 LYS^? -15.38 O1 SO4 A 230s coo 31.47 38.87 24.90 30.94 36.98 26.93 1.42 21.45 91.40 -0.02 23.70 92.33 coo 4.13 40.53 14.21 5.06 38.89 15.19 -1.36 49.08 88.76 -0.85 50.53 87.31 coo 4.08 30.40 21.12 1.62 33.28 16.83 -11.65 46.61 90.96 -7.59 51.79 90.86 ULMN 3 1ofd_c03 FERREDOXIN-DEPENDENT GLUTAMATE SYNTHuser 4 3 # 4 B 1 CYH B 57 CYH^? 12.18 O4 SO4 B 229 B 903 GLU A 187 GLU^? 15.53 O2 SO4 A 229 B 972 LYS A 209 LYS^? -15.38 O1 SO4 A 230s coo 31.47 38.87 24.90 30.94 36.98 26.93 1.42 21.45 91.40 -0.02 23.70 92.33 coo 4.13 40.53 14.21 5.06 38.89 15.19 -0.92 50.23 94.11 -1.07 51.49 92.41 coo 4.08 30.40 21.12 1.62 33.28 16.83 -11.65 46.61 90.96 -7.59 51.79 90.86 1ofd_c03 source 1ofd FERREDOXIN-DEPENDENT GLUTAMATE SYNTHASE 2 : 4 hits 1ofd_c03 naa= 3 ULMN 3 1ok4_c00 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 1 3 # 1 A 24 ASP A 64 ASP^? 16.48 O4 SO4 A 231 A 146 TYR A 45 TYR^? 12.83 O3 SO4 A 229 A 177 LYS A 35 LYS^? 11.43 O2 SO4 A 230 coo -3.50 124.89 25.05 -2.25 124.77 23.26 -0.89 32.13 86.35 -1.06 30.06 86.04 coo 1.87 119.38 16.45 1.41 122.11 16.84 -3.49 33.26 97.33 -5.14 35.38 96.58 coo -2.59 124.07 12.67 -0.91 126.17 18.42 -9.76 35.16 95.20 -10.16 29.64 98.57 ULMN 3 1ok4_c00 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 2 3 # 2 A 24 ASP B 64 ASP^? 18.27 O3 SO4 A 231 A 146 TYR B 45 TYR^? 13.10 O4 SO4 B 229 A 177 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo -3.50 124.89 25.05 -2.25 124.77 23.26 12.23 21.46 92.76 12.58 23.03 91.40 coo 1.87 119.38 16.45 1.41 122.11 16.84 10.04 26.44 102.60 11.44 24.36 103.85 coo -2.59 124.07 12.67 -0.91 126.17 18.42 16.47 24.53 104.57 15.75 30.78 103.34 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 64 ASP^? 16.48 O4 SO4 A 231 B 146 TYR A 45 TYR^? 12.83 O3 SO4 A 229 B 177 LYS A 35 LYS^? 11.43 O2 SO4 A 230 coo -7.43 109.06 51.23 -5.84 110.54 50.86 -0.89 32.13 86.35 -1.06 30.06 86.04 coo 0.22 114.56 44.62 -0.76 115.18 47.18 -3.49 33.26 97.33 -5.14 35.38 96.58 coo -4.18 120.17 46.85 -4.02 115.31 51.00 -9.76 35.16 95.20 -10.16 29.64 98.57 ULMN 3 1ok4_c01 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 2 3 # 2 B 24 ASP B 64 ASP^? 18.27 O3 SO4 A 231 B 146 TYR B 45 TYR^? 13.10 O4 SO4 B 229 B 177 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo -7.43 109.06 51.23 -5.84 110.54 50.86 12.23 21.46 92.76 12.58 23.03 91.40 coo 0.22 114.56 44.62 -0.76 115.18 47.18 10.04 26.44 102.60 11.44 24.36 103.85 coo -4.18 120.17 46.85 -4.02 115.31 51.00 16.47 24.53 104.57 15.75 30.78 103.34 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 64 ASP^? 16.48 O4 SO4 A 231 C 146 TYR A 45 TYR^? 12.83 O3 SO4 A 229 C 177 LYS A 35 LYS^? 11.43 O2 SO4 A 230 coo -13.49 79.65 43.90 -12.13 80.29 45.45 -0.89 32.13 86.35 -1.06 30.06 86.04 coo -5.65 86.78 48.49 -7.16 84.72 49.65 -3.49 33.26 97.33 -5.14 35.38 96.58 coo -11.22 87.18 53.49 -10.94 81.64 50.31 -9.76 35.16 95.20 -10.16 29.64 98.57 ULMN 3 1ok4_c02 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 2 3 # 2 C 24 ASP B 64 ASP^? 18.27 O3 SO4 A 231 C 146 TYR B 45 TYR^? 13.10 O4 SO4 B 229 C 177 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo -13.49 79.65 43.90 -12.13 80.29 45.45 12.23 21.46 92.76 12.58 23.03 91.40 coo -5.65 86.78 48.49 -7.16 84.72 49.65 10.04 26.44 102.60 11.44 24.36 103.85 coo -11.22 87.18 53.49 -10.94 81.64 50.31 16.47 24.53 104.57 15.75 30.78 103.34 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 64 ASP^? 16.48 O4 SO4 A 231 D 146 TYR A 45 TYR^? 12.83 O3 SO4 A 229 D 177 LYS A 35 LYS^? 11.43 O2 SO4 A 230 coo -13.44 77.36 13.12 -12.53 75.97 14.48 -0.89 32.13 86.35 -1.06 30.06 86.04 coo -7.85 74.44 22.75 -9.22 72.86 20.89 -3.49 33.26 97.33 -5.14 35.38 96.58 coo -14.24 70.61 23.48 -12.55 71.73 17.42 -9.76 35.16 95.20 -10.16 29.64 98.57 ULMN 3 1ok4_c03 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 2 3 # 2 D 24 ASP B 64 ASP^? 18.27 O3 SO4 A 231 D 146 TYR B 45 TYR^? 13.10 O4 SO4 B 229 D 177 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo -13.44 77.36 13.12 -12.53 75.97 14.48 12.23 21.46 92.76 12.58 23.03 91.40 coo -7.85 74.44 22.75 -9.22 72.86 20.89 10.04 26.44 102.60 11.44 24.36 103.85 coo -14.24 70.61 23.48 -12.55 71.73 17.42 16.47 24.53 104.57 15.75 30.78 103.34 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 64 ASP^? 16.48 O4 SO4 A 231 E 146 TYR A 45 TYR^? 12.83 O3 SO4 A 229 E 177 LYS A 35 LYS^? 11.43 O2 SO4 A 230 coo -7.12 105.25 1.43 -6.30 103.34 0.77 -0.89 32.13 86.35 -1.06 30.06 86.04 coo -3.11 94.55 3.01 -3.83 95.92 0.66 -3.49 33.26 97.33 -5.14 35.38 96.58 coo -8.77 93.34 -1.70 -6.28 99.15 -2.21 -9.76 35.16 95.20 -10.16 29.64 98.57 ULMN 3 1ok4_c04 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 2 3 # 2 E 24 ASP B 64 ASP^? 18.27 O3 SO4 A 231 E 146 TYR B 45 TYR^? 13.10 O4 SO4 B 229 E 177 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo -7.12 105.25 1.43 -6.30 103.34 0.77 12.23 21.46 92.76 12.58 23.03 91.40 coo -3.11 94.55 3.01 -3.83 95.92 0.66 10.04 26.44 102.60 11.44 24.36 103.85 coo -8.77 93.34 -1.70 -6.28 99.15 -2.21 16.47 24.53 104.57 15.75 30.78 103.34 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 64 ASP^? 16.48 O4 SO4 A 231 F 146 TYR A 45 TYR^? 12.83 O3 SO4 A 229 F 177 LYS A 35 LYS^? 11.43 O2 SO4 A 230 coo -44.75 128.15 10.28 -45.68 129.67 11.55 -0.89 32.13 86.35 -1.06 30.06 86.04 coo -50.43 131.90 19.60 -49.04 133.31 17.60 -3.49 33.26 97.33 -5.14 35.38 96.58 coo -44.10 135.86 19.99 -45.67 134.21 14.07 -9.76 35.16 95.20 -10.16 29.64 98.57 ULMN 3 1ok4_c05 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 2 3 # 2 F 24 ASP B 64 ASP^? 18.27 O3 SO4 A 231 F 146 TYR B 45 TYR^? 13.10 O4 SO4 B 229 F 177 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo -44.75 128.15 10.28 -45.68 129.67 11.55 12.23 21.46 92.76 12.58 23.03 91.40 coo -50.43 131.90 19.60 -49.04 133.31 17.60 10.04 26.44 102.60 11.44 24.36 103.85 coo -44.10 135.86 19.99 -45.67 134.21 14.07 16.47 24.53 104.57 15.75 30.78 103.34 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 64 ASP^? 16.48 O4 SO4 A 231 G 146 TYR A 45 TYR^? 12.83 O3 SO4 A 229 G 177 LYS A 35 LYS^? 11.43 O2 SO4 A 230 coo -44.97 128.78 41.20 -46.32 128.26 42.83 -0.89 32.13 86.35 -1.06 30.06 86.04 coo -52.83 122.13 46.42 -51.31 124.30 47.39 -3.49 33.26 97.33 -5.14 35.38 96.58 coo -47.30 122.24 51.49 -47.46 127.44 47.81 -9.76 35.16 95.20 -10.16 29.64 98.57 ULMN 3 1ok4_c06 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 2 3 # 2 G 24 ASP B 64 ASP^? 18.27 O3 SO4 A 231 G 146 TYR B 45 TYR^? 13.10 O4 SO4 B 229 G 177 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo -44.97 128.78 41.20 -46.32 128.26 42.83 12.23 21.46 92.76 12.58 23.03 91.40 coo -52.83 122.13 46.42 -51.31 124.30 47.39 10.04 26.44 102.60 11.44 24.36 103.85 coo -47.30 122.24 51.49 -47.46 127.44 47.81 16.47 24.53 104.57 15.75 30.78 103.34 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 64 ASP^? 16.48 O4 SO4 A 231 H 146 TYR A 45 TYR^? 12.83 O3 SO4 A 229 H 177 LYS A 35 LYS^? 11.43 O2 SO4 A 230 coo -51.11 100.30 51.41 -52.67 98.82 51.12 -0.89 32.13 86.35 -1.06 30.06 86.04 coo -58.70 94.17 45.32 -57.76 93.82 47.92 -3.49 33.26 97.33 -5.14 35.38 96.58 coo -54.32 88.79 48.13 -54.61 94.04 51.74 -9.76 35.16 95.20 -10.16 29.64 98.57 ULMN 3 1ok4_c07 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 2 3 # 2 H 24 ASP B 64 ASP^? 18.27 O3 SO4 A 231 H 146 TYR B 45 TYR^? 13.10 O4 SO4 B 229 H 177 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo -51.11 100.30 51.41 -52.67 98.82 51.12 12.23 21.46 92.76 12.58 23.03 91.40 coo -58.70 94.17 45.32 -57.76 93.82 47.92 10.04 26.44 102.60 11.44 24.36 103.85 coo -54.32 88.79 48.13 -54.61 94.04 51.74 16.47 24.53 104.57 15.75 30.78 103.34 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 64 ASP^? 16.48 O4 SO4 A 231 I 146 TYR A 45 TYR^? 12.83 O3 SO4 A 229 I 177 LYS A 35 LYS^? 11.43 O2 SO4 A 230 coo -54.65 81.97 26.87 -55.88 81.89 25.07 -0.89 32.13 86.35 -1.06 30.06 86.04 coo -59.92 86.62 17.74 -59.42 83.94 18.40 -3.49 33.26 97.33 -5.14 35.38 96.58 coo -55.38 81.61 14.50 -57.11 80.05 20.41 -9.76 35.16 95.20 -10.16 29.64 98.57 ULMN 3 1ok4_c08 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 2 3 # 2 I 24 ASP B 64 ASP^? 18.27 O3 SO4 A 231 I 146 TYR B 45 TYR^? 13.10 O4 SO4 B 229 I 177 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo -54.65 81.97 26.87 -55.88 81.89 25.07 12.23 21.46 92.76 12.58 23.03 91.40 coo -59.92 86.62 17.74 -59.42 83.94 18.40 10.04 26.44 102.60 11.44 24.36 103.85 coo -55.38 81.61 14.50 -57.11 80.05 20.41 16.47 24.53 104.57 15.75 30.78 103.34 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 64 ASP^? 16.48 O4 SO4 A 231 J 146 TYR A 45 TYR^? 12.83 O3 SO4 A 229 J 177 LYS A 35 LYS^? 11.43 O2 SO4 A 230 coo -50.64 99.08 1.52 -51.52 100.83 0.67 -0.89 32.13 86.35 -1.06 30.06 86.04 coo -54.74 109.84 1.86 -54.04 108.22 -0.34 -3.49 33.26 97.33 -5.14 35.38 96.58 coo -49.01 110.53 -2.89 -51.59 104.72 -2.78 -9.76 35.16 95.20 -10.16 29.64 98.57 ULMN 3 1ok4_c09 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 2 3 # 2 J 24 ASP B 64 ASP^? 18.27 O3 SO4 A 231 J 146 TYR B 45 TYR^? 13.10 O4 SO4 B 229 J 177 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo -50.64 99.08 1.52 -51.52 100.83 0.67 12.23 21.46 92.76 12.58 23.03 91.40 coo -54.74 109.84 1.86 -54.04 108.22 -0.34 10.04 26.44 102.60 11.44 24.36 103.85 coo -49.01 110.53 -2.89 -51.59 104.72 -2.78 16.47 24.53 104.57 15.75 30.78 103.34 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 126 ASP^? 16.24 O1 SO4 A 229 A 96 GLU A 135 GLU^? 26.04 O1 SO4 A 229 A 132 LYS A 110 LYS^? 28.35 O1 SO4 A 229 coo 31.23 12.29 16.44 30.82 11.56 18.39 18.12 53.54 96.53 19.31 51.77 96.80 coo 26.82 3.20 24.36 27.99 4.86 24.98 28.90 53.95 105.73 29.85 54.07 107.68 coo 29.99 0.62 22.18 30.38 6.69 20.81 25.55 58.06 108.35 29.49 58.97 105.77 ULMN 3 1onr_c00 TRANSALDOLASE B user 2 3 # 2 A 17 ASP A 131 ASP^? 27.86 O1 SO4 A 231 A 96 GLU A 135 GLU^? 26.04 O1 SO4 A 229 A 132 LYS A 110 LYS^? 28.35 O1 SO4 A 229 coo 31.23 12.29 16.44 30.82 11.56 18.39 23.62 62.30 95.31 25.14 61.71 93.92 coo 26.82 3.20 24.36 27.99 4.86 24.98 28.90 53.95 105.73 29.85 54.07 107.68 coo 29.99 0.62 22.18 30.38 6.69 20.81 25.55 58.06 108.35 29.49 58.97 105.77 1onr_c00 source 1onr TRANSALDOLASE B : 2 hits 1onr_c00 naa= 3 ULMN 3 1onr_c01 TRANSALDOLASE B user 1 3 # 1 B 17 ASP A 126 ASP^? 16.24 O1 SO4 A 229 B 96 GLU A 135 GLU^? 26.04 O1 SO4 A 229 B 132 LYS A 110 LYS^? 28.35 O1 SO4 A 229 coo 31.16 57.31 -0.94 30.73 56.64 1.01 18.12 53.54 96.53 19.31 51.77 96.80 coo 26.69 48.45 7.18 27.85 50.13 7.74 28.90 53.95 105.73 29.85 54.07 107.68 coo 29.82 45.80 5.07 30.26 51.81 3.56 25.55 58.06 108.35 29.49 58.97 105.77 ULMN 3 1onr_c01 TRANSALDOLASE B user 2 3 # 2 B 17 ASP A 131 ASP^? 27.86 O1 SO4 A 231 B 96 GLU A 135 GLU^? 26.04 O1 SO4 A 229 B 132 LYS A 110 LYS^? 28.35 O1 SO4 A 229 coo 31.16 57.31 -0.94 30.73 56.64 1.01 23.62 62.30 95.31 25.14 61.71 93.92 coo 26.69 48.45 7.18 27.85 50.13 7.74 28.90 53.95 105.73 29.85 54.07 107.68 coo 29.82 45.80 5.07 30.26 51.81 3.56 25.55 58.06 108.35 29.49 58.97 105.77 1onr_c01 source 1onr TRANSALDOLASE B : 2 hits 1onr_c01 naa= 3 ULMN 3 1opm_c00 1.14.17.0003 user 1 3 # 1 A 108 HIS A 97 HIS^? 10.66 O4 SO4 A 229 A 170 GLN A 98 GLN^? 19.44 O4 SO4 A 229 A 242 HIS A 91 HIS^? 17.38 O4 SO4 A 229 coo 36.16 34.36 39.40 38.12 34.09 40.00 7.24 52.04 104.47 6.71 50.18 103.67 coo 40.85 35.41 43.73 41.85 33.73 42.88 6.60 56.88 109.41 5.83 57.80 111.13 coo 40.72 26.15 37.61 42.10 27.69 37.19 -3.47 53.98 101.75 -2.43 55.80 101.90 ULMN 3 1opm_c00 1.14.17.0003 user 2 3 # 2 A 108 HIS A 215 HIS^? -3.69 O3 SO4 A 230s A 170 GLN A 37 GLN^? -4.13 O1 SO4 A 230s A 242 HIS A 210 HIS^? 9.95 O1 SO4 A 230 coo 36.16 34.36 39.40 38.12 34.09 40.00 -13.92 40.67 99.66 -13.69 38.69 100.32 coo 40.85 35.41 43.73 41.85 33.73 42.88 -12.04 40.03 92.38 -13.99 40.84 92.63 coo 40.72 26.15 37.61 42.10 27.69 37.19 -16.02 49.92 93.97 -17.27 50.59 95.51 ULMN 3 1opm_c00 1.14.17.0003 user 3 3 # 3 A 108 HIS A 215 HIS^? -3.69 O3 SO4 A 230s A 170 GLN A 216 GLN^? 12.04 O3 SO4 A 230 A 242 HIS A 210 HIS^? 9.95 O1 SO4 A 230 coo 36.16 34.36 39.40 38.12 34.09 40.00 -13.92 40.67 99.66 -13.69 38.69 100.32 coo 40.85 35.41 43.73 41.85 33.73 42.88 -8.40 44.89 101.35 -6.72 45.73 100.34 coo 40.72 26.15 37.61 42.10 27.69 37.19 -16.02 49.92 93.97 -17.27 50.59 95.51 ULMN 3 1opm_c00 1.14.17.0003 user 4 3 # 4 A 108 HIS B 97 HIS^? 12.49 O3 SO4 B 229 A 170 GLN B 98 GLN^? 22.18 O3 SO4 B 229 A 242 HIS B 91 HIS^? 17.45 O3 SO4 B 229 coo 36.16 34.36 39.40 38.12 34.09 40.00 -3.31 12.76 116.75 -2.66 14.35 115.55 coo 40.85 35.41 43.73 41.85 33.73 42.88 -3.58 9.76 123.54 -3.24 10.30 125.57 coo 40.72 26.15 37.61 42.10 27.69 37.19 5.92 11.10 116.67 5.40 9.21 117.42 1opm_c00 source 1opm 1.14.17.0003 : 4 hits 1opm_c00 naa= 3 ULMN 3 1oqz_c00 GLUTARYL ACYLASE user 1 3 # 1 A 170 SER A 106 SER^? 27.12 O4 SO4 A 229 A 239 VAL A 109 VAL^? 24.67 O1 SO4 A 229 A 413 ASN A 108 ASN^? 31.71 O1 SO4 A 229 coo 80.14 40.76 52.28 77.73 40.59 51.94 17.60 62.70 111.68 15.95 64.47 111.44 coo 75.67 35.37 52.30 76.00 35.96 50.23 22.52 59.94 109.62 20.60 58.90 109.34 coo 81.75 35.21 52.13 80.92 37.12 51.69 23.42 63.46 112.90 25.40 64.20 113.21 ULMN 3 1oqz_c00 GLUTARYL ACYLASE user 2 3 # 2 A 170 SER B 106 SER^? 29.18 O3 SO4 B 229 A 239 VAL B 109 VAL^? 26.44 O3 SO4 B 229 A 413 ASN B 108 ASN^? 33.72 O3 SO4 B 229 coo 80.14 40.76 52.28 77.73 40.59 51.94 -14.89 3.19 124.25 -13.21 1.70 125.19 coo 75.67 35.37 52.30 76.00 35.96 50.23 -19.13 5.61 121.42 -17.16 6.63 121.36 coo 81.75 35.21 52.13 80.92 37.12 51.69 -21.52 1.86 123.78 -22.21 -0.15 123.44 1oqz_c00 source 1oqz GLUTARYL ACYLASE : 2 hits 1oqz_c00 naa= 3 ULMN 3 1oqz_c01 GLUTARYL ACYLASE user 1 3 # 1 B 170 SER A 106 SER^? 27.12 O4 SO4 A 229 B 239 VAL A 109 VAL^? 24.67 O1 SO4 A 229 B 413 ASN A 108 ASN^? 31.71 O1 SO4 A 229 coo 25.22 6.41 2.90 27.67 6.33 3.11 17.60 62.70 111.68 15.95 64.47 111.44 coo 29.71 1.00 2.66 29.43 1.57 4.74 22.52 59.94 109.62 20.60 58.90 109.34 coo 23.72 0.88 2.95 24.56 2.79 3.34 23.42 63.46 112.90 25.40 64.20 113.21 ULMN 3 1oqz_c01 GLUTARYL ACYLASE user 2 3 # 2 B 170 SER B 106 SER^? 29.18 O3 SO4 B 229 B 239 VAL B 109 VAL^? 26.44 O3 SO4 B 229 B 413 ASN B 108 ASN^? 33.72 O3 SO4 B 229 coo 25.22 6.41 2.90 27.67 6.33 3.11 -14.89 3.19 124.25 -13.21 1.70 125.19 coo 29.71 1.00 2.66 29.43 1.57 4.74 -19.13 5.61 121.42 -17.16 6.63 121.36 coo 23.72 0.88 2.95 24.56 2.79 3.34 -21.52 1.86 123.78 -22.21 -0.15 123.44 1oqz_c01 source 1oqz GLUTARYL ACYLASE : 2 hits 1oqz_c01 naa= 3 ULMN 3 1oyg_c00 LEVANSUCRASE user 1 3 # 1 A 86 ASP A 138 ASP^? 13.32 O1 SO4 A 229 A 247 ASP A 115 ASP^? 8.58 O1 SO4 A 229 A 342 GLU A 143 GLU^? 15.50 O1 SO4 A 229 coo 44.36 35.68 9.71 43.29 36.20 11.51 23.15 43.17 105.53 21.70 41.96 104.55 coo 41.40 28.81 12.91 40.82 30.90 12.97 15.77 43.56 105.82 15.72 41.47 106.14 coo 40.37 33.11 18.06 39.99 34.93 17.06 19.40 41.86 113.53 20.16 40.92 111.75 ULMN 3 1oyg_c00 LEVANSUCRASE user 2 3 # 2 A 86 ASP B 138 ASP^? 17.24 O3 SO4 B 229 A 247 ASP B 115 ASP^? 13.85 O3 SO4 B 229 A 342 GLU B 143 GLU^? 21.40 O3 SO4 B 229 coo 44.36 35.68 9.71 43.29 36.20 11.51 -19.34 21.74 114.74 -17.84 23.07 113.94 coo 41.40 28.81 12.91 40.82 30.90 12.97 -12.10 21.41 116.25 -11.91 23.51 116.16 coo 40.37 33.11 18.06 39.99 34.93 17.06 -16.26 24.40 123.16 -17.08 25.33 121.37 1oyg_c00 source 1oyg LEVANSUCRASE : 2 hits 1oyg_c00 naa= 3 ULMN 3 1pj5_c00 N,N-DIMETHYLGLYCINE OXIDASE user 1 3 # 1 A 225 HIS A 47 HIS^? 9.70 O3 SO4 A 229 A 259 TYR A 27 TYR^? 6.19 O4 SO4 A 229 A 552 ASP B 152 ASP^? 28.21 O3 SO4 B 229 coo 11.34 95.90 25.54 12.13 96.42 23.67 0.48 32.34 101.22 -1.58 32.73 101.11 coo 14.91 97.39 18.63 13.39 95.60 20.20 -0.27 40.97 103.40 2.22 42.05 102.76 coo 46.37 82.54 38.83 45.97 84.66 38.77 -23.75 16.28 125.41 -24.46 16.83 123.47 ULMN 3 1pj5_c00 N,N-DIMETHYLGLYCINE OXIDASE user 2 3 # 2 A 225 HIS A 47 HIS^? 9.70 O3 SO4 A 229 A 259 TYR A 228 TYR^? 12.29 O4 SO4 B 229 A 552 ASP A 131 ASP^? 27.86 O1 SO4 A 231 coo 11.34 95.90 25.54 12.13 96.42 23.67 0.48 32.34 101.22 -1.58 32.73 101.11 coo 14.91 97.39 18.63 13.39 95.60 20.20 -6.50 33.95 102.32 -5.45 34.14 104.92 coo 46.37 82.54 38.83 45.97 84.66 38.77 23.62 62.30 95.31 25.14 61.71 93.92 ULMN 3 1pj5_c00 N,N-DIMETHYLGLYCINE OXIDASE user 3 3 # 3 A 225 HIS B 47 HIS^? 9.69 O4 SO4 B 229 A 259 TYR B 228 TYR^? 12.23 O3 SO4 A 229 A 552 ASP B 152 ASP^? 28.21 O3 SO4 B 229 coo 11.34 95.90 25.54 12.13 96.42 23.67 4.75 28.44 103.45 6.59 28.31 104.44 coo 14.91 97.39 18.63 13.39 95.60 20.20 10.57 28.77 107.84 8.55 29.75 109.51 coo 46.37 82.54 38.83 45.97 84.66 38.77 -23.75 16.28 125.41 -24.46 16.83 123.47 1pj5_c00 source 1pj5 N,N-DIMETHYLGLYCINE OXIDASE : 3 hits 1pj5_c00 naa= 3 ULMN 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 1 3 # 1 A 70 ALA A 162 ALA^? 20.16 O4 SO4 A 229 A 126 LEU A 166 LEU^? 21.41 O4 SO4 A 229 A 158 GLU A 172 GLU^? 26.58 O4 SO4 A 229 coo -2.29 37.66 144.73 -1.46 37.12 145.87 4.13 54.13 117.06 3.63 52.86 117.73 coo -4.62 32.83 147.14 -5.50 32.85 149.12 9.28 55.61 118.70 9.30 54.35 116.87 coo -0.83 29.57 149.77 -0.39 31.47 148.95 13.47 60.86 115.95 13.70 62.79 115.15 ULMN 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 2 3 # 2 A 70 ALA A 173 ALA^? 20.41 O4 SO4 A 229 A 126 LEU A 166 LEU^? 21.41 O4 SO4 A 229 A 158 GLU A 163 GLU^? 27.84 O4 SO4 A 229 coo -2.29 37.66 144.73 -1.46 37.12 145.87 9.73 58.38 113.50 8.57 57.40 113.60 coo -4.62 32.83 147.14 -5.50 32.85 149.12 9.28 55.61 118.70 9.30 54.35 116.87 coo -0.83 29.57 149.77 -0.39 31.47 148.95 3.56 59.76 119.79 1.89 60.37 121.02 ULMN 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 3 3 # 3 A 70 ALA A 185 ALA^? 11.02 O2 SO4 A 229 A 126 LEU A 71 LEU^? 12.09 O2 SO4 A 229 A 158 GLU A 74 GLU^? 15.20 O4 SO4 A 231 coo -2.29 37.66 144.73 -1.46 37.12 145.87 5.07 51.01 98.29 6.11 51.39 99.32 coo -4.62 32.83 147.14 -5.50 32.85 149.12 7.38 51.02 95.09 9.10 52.28 95.55 coo -0.83 29.57 149.77 -0.39 31.47 148.95 6.06 51.55 88.92 5.14 51.51 86.98 ULMN 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 4 3 # 4 A 70 ALA A 185 ALA^? 11.02 O2 SO4 A 229 A 126 LEU A 183 LEU^? 17.78 O2 SO4 A 229 A 158 GLU A 96 GLU^? 17.08 O4 SO4 A 229 coo -2.29 37.66 144.73 -1.46 37.12 145.87 5.07 51.01 98.29 6.11 51.39 99.32 coo -4.62 32.83 147.14 -5.50 32.85 149.12 2.06 56.81 98.16 0.35 57.54 99.42 coo -0.83 29.57 149.77 -0.39 31.47 148.95 1.22 55.68 105.58 1.14 56.60 103.71 ULMN 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 5 3 # 5 A 70 ALA B 155 ALA^? 22.81 O3 SO4 B 229 A 126 LEU B 99 LEU^? 21.97 O3 SO4 B 229 A 158 GLU B 172 GLU^? 30.08 O3 SO4 B 229 coo -2.29 37.66 144.73 -1.46 37.12 145.87 -15.36 10.84 122.34 -14.99 9.63 121.49 coo -4.62 32.83 147.14 -5.50 32.85 149.12 -9.38 7.45 121.36 -11.53 7.06 121.24 coo -0.83 29.57 149.77 -0.39 31.47 148.95 -11.19 5.19 128.37 -11.78 3.12 128.47 ULMN 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 6 3 # 6 A 70 ALA B 185 ALA^? 10.94 O1 SO4 B 229 A 126 LEU B 71 LEU^? 11.38 O1 SO4 B 229 A 158 GLU B 74 GLU^? 16.10 O1 SO4 B 229 coo -2.29 37.66 144.73 -1.46 37.12 145.87 0.02 10.85 109.56 -1.39 10.88 110.17 coo -4.62 32.83 147.14 -5.50 32.85 149.12 -1.32 9.46 106.16 -3.25 8.52 106.51 coo -0.83 29.57 149.77 -0.39 31.47 148.95 0.29 5.91 102.04 1.64 4.74 100.89 ULMN 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 7 3 # 7 A 70 ALA B 188 ALA^? 10.65 O1 SO4 B 229 A 126 LEU B 88 LEU^? 15.04 O1 SO4 B 229 A 158 GLU B 87 GLU^? 17.71 O1 SO4 B 229 coo -2.29 37.66 144.73 -1.46 37.12 145.87 6.79 14.17 107.25 7.50 15.38 107.84 coo -4.62 32.83 147.14 -5.50 32.85 149.12 11.55 13.24 108.09 12.45 14.66 106.65 coo -0.83 29.57 149.77 -0.39 31.47 148.95 10.05 8.18 103.44 9.48 6.19 103.45 1pjh_c00 source 1pjh ENOYL-COA ISOMERASE; ECI1P : 7 hits 1pjh_c00 naa= 3 ULMN 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 1 3 # 1 B 70 ALA A 162 ALA^? 20.16 O4 SO4 A 229 B 126 LEU A 166 LEU^? 21.41 O4 SO4 A 229 B 158 GLU A 172 GLU^? 26.58 O4 SO4 A 229 coo -39.79 4.61 147.27 -39.61 5.56 148.47 4.13 54.13 117.06 3.63 52.86 117.73 coo -34.22 5.06 149.25 -33.65 4.24 151.15 9.28 55.61 118.70 9.30 54.35 116.87 coo -33.03 9.93 151.71 -34.98 9.38 151.11 13.47 60.86 115.95 13.70 62.79 115.15 ULMN 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 2 3 # 2 B 70 ALA A 173 ALA^? 20.41 O4 SO4 A 229 B 126 LEU A 166 LEU^? 21.41 O4 SO4 A 229 B 158 GLU A 163 GLU^? 27.84 O4 SO4 A 229 coo -39.79 4.61 147.27 -39.61 5.56 148.47 9.73 58.38 113.50 8.57 57.40 113.60 coo -34.22 5.06 149.25 -33.65 4.24 151.15 9.28 55.61 118.70 9.30 54.35 116.87 coo -33.03 9.93 151.71 -34.98 9.38 151.11 3.56 59.76 119.79 1.89 60.37 121.02 ULMN 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 3 3 # 3 B 70 ALA A 185 ALA^? 11.02 O2 SO4 A 229 B 126 LEU A 71 LEU^? 12.09 O2 SO4 A 229 B 158 GLU A 74 GLU^? 15.20 O4 SO4 A 231 coo -39.79 4.61 147.27 -39.61 5.56 148.47 5.07 51.01 98.29 6.11 51.39 99.32 coo -34.22 5.06 149.25 -33.65 4.24 151.15 7.38 51.02 95.09 9.10 52.28 95.55 coo -33.03 9.93 151.71 -34.98 9.38 151.11 6.06 51.55 88.92 5.14 51.51 86.98 ULMN 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 4 3 # 4 B 70 ALA A 185 ALA^? 11.02 O2 SO4 A 229 B 126 LEU A 183 LEU^? 17.78 O2 SO4 A 229 B 158 GLU A 96 GLU^? 17.08 O4 SO4 A 229 coo -39.79 4.61 147.27 -39.61 5.56 148.47 5.07 51.01 98.29 6.11 51.39 99.32 coo -34.22 5.06 149.25 -33.65 4.24 151.15 2.06 56.81 98.16 0.35 57.54 99.42 coo -33.03 9.93 151.71 -34.98 9.38 151.11 1.22 55.68 105.58 1.14 56.60 103.71 ULMN 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 5 3 # 5 B 70 ALA B 155 ALA^? 22.81 O3 SO4 B 229 B 126 LEU B 99 LEU^? 21.97 O3 SO4 B 229 B 158 GLU B 172 GLU^? 30.08 O3 SO4 B 229 coo -39.79 4.61 147.27 -39.61 5.56 148.47 -15.36 10.84 122.34 -14.99 9.63 121.49 coo -34.22 5.06 149.25 -33.65 4.24 151.15 -9.38 7.45 121.36 -11.53 7.06 121.24 coo -33.03 9.93 151.71 -34.98 9.38 151.11 -11.19 5.19 128.37 -11.78 3.12 128.47 ULMN 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 6 3 # 6 B 70 ALA B 185 ALA^? 10.94 O1 SO4 B 229 B 126 LEU B 71 LEU^? 11.38 O1 SO4 B 229 B 158 GLU B 74 GLU^? 16.10 O1 SO4 B 229 coo -39.79 4.61 147.27 -39.61 5.56 148.47 0.02 10.85 109.56 -1.39 10.88 110.17 coo -34.22 5.06 149.25 -33.65 4.24 151.15 -1.32 9.46 106.16 -3.25 8.52 106.51 coo -33.03 9.93 151.71 -34.98 9.38 151.11 0.29 5.91 102.04 1.64 4.74 100.89 ULMN 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 7 3 # 7 B 70 ALA B 188 ALA^? 10.65 O1 SO4 B 229 B 126 LEU B 88 LEU^? 15.04 O1 SO4 B 229 B 158 GLU B 87 GLU^? 17.71 O1 SO4 B 229 coo -39.79 4.61 147.27 -39.61 5.56 148.47 6.79 14.17 107.25 7.50 15.38 107.84 coo -34.22 5.06 149.25 -33.65 4.24 151.15 11.55 13.24 108.09 12.45 14.66 106.65 coo -33.03 9.93 151.71 -34.98 9.38 151.11 10.05 8.18 103.44 9.48 6.19 103.45 1pjh_c01 source 1pjh ENOYL-COA ISOMERASE; ECI1P : 7 hits 1pjh_c01 naa= 3 ULMN 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 1 3 # 1 C 70 ALA A 162 ALA^? 20.16 O4 SO4 A 229 C 126 LEU A 166 LEU^? 21.41 O4 SO4 A 229 C 158 GLU A 172 GLU^? 26.58 O4 SO4 A 229 coo 7.77 -11.41 146.15 6.88 -11.77 147.32 4.13 54.13 117.06 3.63 52.86 117.73 coo 4.88 -6.81 148.13 5.33 -5.89 150.06 9.28 55.61 118.70 9.30 54.35 116.87 coo 0.03 -8.25 150.96 1.55 -9.64 150.41 13.47 60.86 115.95 13.70 62.79 115.15 ULMN 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 2 3 # 2 C 70 ALA A 173 ALA^? 20.41 O4 SO4 A 229 C 126 LEU A 166 LEU^? 21.41 O4 SO4 A 229 C 158 GLU A 163 GLU^? 27.84 O4 SO4 A 229 coo 7.77 -11.41 146.15 6.88 -11.77 147.32 9.73 58.38 113.50 8.57 57.40 113.60 coo 4.88 -6.81 148.13 5.33 -5.89 150.06 9.28 55.61 118.70 9.30 54.35 116.87 coo 0.03 -8.25 150.96 1.55 -9.64 150.41 3.56 59.76 119.79 1.89 60.37 121.02 ULMN 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 3 3 # 3 C 70 ALA A 185 ALA^? 11.02 O2 SO4 A 229 C 126 LEU A 71 LEU^? 12.09 O2 SO4 A 229 C 158 GLU A 74 GLU^? 15.20 O4 SO4 A 231 coo 7.77 -11.41 146.15 6.88 -11.77 147.32 5.07 51.01 98.29 6.11 51.39 99.32 coo 4.88 -6.81 148.13 5.33 -5.89 150.06 7.38 51.02 95.09 9.10 52.28 95.55 coo 0.03 -8.25 150.96 1.55 -9.64 150.41 6.06 51.55 88.92 5.14 51.51 86.98 ULMN 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 4 3 # 4 C 70 ALA A 185 ALA^? 11.02 O2 SO4 A 229 C 126 LEU A 183 LEU^? 17.78 O2 SO4 A 229 C 158 GLU A 96 GLU^? 17.08 O4 SO4 A 229 coo 7.77 -11.41 146.15 6.88 -11.77 147.32 5.07 51.01 98.29 6.11 51.39 99.32 coo 4.88 -6.81 148.13 5.33 -5.89 150.06 2.06 56.81 98.16 0.35 57.54 99.42 coo 0.03 -8.25 150.96 1.55 -9.64 150.41 1.22 55.68 105.58 1.14 56.60 103.71 ULMN 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 5 3 # 5 C 70 ALA B 155 ALA^? 22.81 O3 SO4 B 229 C 126 LEU B 99 LEU^? 21.97 O3 SO4 B 229 C 158 GLU B 172 GLU^? 30.08 O3 SO4 B 229 coo 7.77 -11.41 146.15 6.88 -11.77 147.32 -15.36 10.84 122.34 -14.99 9.63 121.49 coo 4.88 -6.81 148.13 5.33 -5.89 150.06 -9.38 7.45 121.36 -11.53 7.06 121.24 coo 0.03 -8.25 150.96 1.55 -9.64 150.41 -11.19 5.19 128.37 -11.78 3.12 128.47 ULMN 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 6 3 # 6 C 70 ALA B 185 ALA^? 10.94 O1 SO4 B 229 C 126 LEU B 71 LEU^? 11.38 O1 SO4 B 229 C 158 GLU B 74 GLU^? 16.10 O1 SO4 B 229 coo 7.77 -11.41 146.15 6.88 -11.77 147.32 0.02 10.85 109.56 -1.39 10.88 110.17 coo 4.88 -6.81 148.13 5.33 -5.89 150.06 -1.32 9.46 106.16 -3.25 8.52 106.51 coo 0.03 -8.25 150.96 1.55 -9.64 150.41 0.29 5.91 102.04 1.64 4.74 100.89 ULMN 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 7 3 # 7 C 70 ALA B 188 ALA^? 10.65 O1 SO4 B 229 C 126 LEU B 88 LEU^? 15.04 O1 SO4 B 229 C 158 GLU B 87 GLU^? 17.71 O1 SO4 B 229 coo 7.77 -11.41 146.15 6.88 -11.77 147.32 6.79 14.17 107.25 7.50 15.38 107.84 coo 4.88 -6.81 148.13 5.33 -5.89 150.06 11.55 13.24 108.09 12.45 14.66 106.65 coo 0.03 -8.25 150.96 1.55 -9.64 150.41 10.05 8.18 103.44 9.48 6.19 103.45 1pjh_c02 source 1pjh ENOYL-COA ISOMERASE; ECI1P : 7 hits 1pjh_c02 naa= 3 ULMN 3 1pjq_c02 SIROHEME SYNTHASE user 1 3 # 1 A 248 ASP A 115 ASP^? 8.58 O1 SO4 A 229 A 270 LYS A 122 LYS^? 10.06 O1 SO4 A 229 A 382 MET A 48 MET?? -8.67 O3 SO4 A 229s coo -27.63 121.99 45.48 -26.66 123.86 45.68 15.77 43.56 105.82 15.72 41.47 106.14 coo -32.20 115.91 49.56 -31.37 121.03 53.12 16.00 48.82 99.35 17.27 43.58 96.56 coo -23.75 127.89 58.42 -26.02 128.79 55.12 6.25 32.97 99.28 8.23 31.81 95.66 ULMN 3 1pjq_c02 SIROHEME SYNTHASE user 2 3 # 2 A 248 ASP A 120 ASP^? 7.17 O2 SO4 A 229 A 270 LYS A 122 LYS^? 10.06 O1 SO4 A 229 A 382 MET A 19 MET?? 9.57 O3 SO4 A 229 coo -27.63 121.99 45.48 -26.66 123.86 45.68 9.29 47.78 99.49 7.80 47.36 98.01 coo -32.20 115.91 49.56 -31.37 121.03 53.12 16.00 48.82 99.35 17.27 43.58 96.56 coo -23.75 127.89 58.42 -26.02 128.79 55.12 1.88 36.55 97.27 -2.06 36.76 98.89 ULMN 3 1pjq_c02 SIROHEME SYNTHASE user 3 3 # 3 A 248 ASP A 120 ASP^? 7.17 O2 SO4 A 229 A 270 LYS A 122 LYS^? 10.06 O1 SO4 A 229 A 382 MET A 48 MET?? -8.67 O3 SO4 A 229s coo -27.63 121.99 45.48 -26.66 123.86 45.68 9.29 47.78 99.49 7.80 47.36 98.01 coo -32.20 115.91 49.56 -31.37 121.03 53.12 16.00 48.82 99.35 17.27 43.58 96.56 coo -23.75 127.89 58.42 -26.02 128.79 55.12 6.25 32.97 99.28 8.23 31.81 95.66 ULMN 3 1pjq_c02 SIROHEME SYNTHASE user 4 3 # 4 A 248 ASP B 120 ASP^? 8.68 O3 SO4 B 229 A 270 LYS B 122 LYS^? 11.60 O2 SO4 B 229 A 382 MET B 19 MET?? 9.86 O4 SO4 B 229 coo -27.63 121.99 45.48 -26.66 123.86 45.68 -4.32 17.92 112.37 -3.28 16.49 113.53 coo -32.20 115.91 49.56 -31.37 121.03 53.12 -10.43 15.56 110.86 -13.65 15.21 106.31 coo -23.75 127.89 58.42 -26.02 128.79 55.12 4.74 22.92 102.18 7.74 23.94 104.98 ULMN 3 1pjq_c02 SIROHEME SYNTHASE user 5 3 # 5 A 248 ASP B 120 ASP^? 8.68 O3 SO4 B 229 A 270 LYS B 122 LYS^? 11.60 O2 SO4 B 229 A 382 MET B 48 MET?? 9.12 O4 SO4 B 229 coo -27.63 121.99 45.48 -26.66 123.86 45.68 -4.32 17.92 112.37 -3.28 16.49 113.53 coo -32.20 115.91 49.56 -31.37 121.03 53.12 -10.43 15.56 110.86 -13.65 15.21 106.31 coo -23.75 127.89 58.42 -26.02 128.79 55.12 0.05 26.48 100.05 0.32 25.32 95.95 1pjq_c02 source 1pjq SIROHEME SYNTHASE : 5 hits 1pjq_c02 naa= 3 ULMN 3 1pjq_c03 SIROHEME SYNTHASE user 1 3 # 1 B 248 ASP A 2 ASP~? 14.67 O2 SO4 A 230 B 270 LYS A 4 LYS~? 17.43 O2 SO4 A 230 B 382 MET A 199 MET?? 17.06 O4 SO4 A 231 coo -11.82 154.51 43.38 -12.86 152.74 43.79 -20.15 34.72 83.71 -22.03 35.03 82.80 coo -5.09 158.39 43.41 -0.74 158.80 47.15 -16.16 29.06 84.50 -18.43 23.53 86.96 coo -2.79 145.52 50.38 -5.75 148.14 51.66 -3.83 35.35 82.03 -3.94 33.96 85.10 ULMN 3 1pjq_c03 SIROHEME SYNTHASE user 2 3 # 2 B 248 ASP A 39 ASP^? 5.87 O2 SO4 A 230 B 270 LYS A 4 LYS~? 17.43 O2 SO4 A 230 B 382 MET A 199 MET?? 17.06 O4 SO4 A 231 coo -11.82 154.51 43.38 -12.86 152.74 43.79 -16.67 33.15 92.05 -17.20 32.80 93.99 coo -5.09 158.39 43.41 -0.74 158.80 47.15 -16.16 29.06 84.50 -18.43 23.53 86.96 coo -2.79 145.52 50.38 -5.75 148.14 51.66 -3.83 35.35 82.03 -3.94 33.96 85.10 ULMN 3 1pjq_c03 SIROHEME SYNTHASE user 3 3 # 3 B 248 ASP A 39 ASP^? 5.87 O2 SO4 A 230 B 270 LYS A 35 LYS^? 11.43 O2 SO4 A 230 B 382 MET A 199 MET?? 17.06 O4 SO4 A 231 coo -11.82 154.51 43.38 -12.86 152.74 43.79 -16.67 33.15 92.05 -17.20 32.80 93.99 coo -5.09 158.39 43.41 -0.74 158.80 47.15 -9.76 35.16 95.20 -10.16 29.64 98.57 coo -2.79 145.52 50.38 -5.75 148.14 51.66 -3.83 35.35 82.03 -3.94 33.96 85.10 1pjq_c03 source 1pjq SIROHEME SYNTHASE : 3 hits 1pjq_c03 naa= 3 ULMN 3 1pmi_c00 PHOSPHOMANNOSE ISOMERASE user 1 3 # 1 111 GLN A 184 GLN^? 16.35 O2 SO4 A 229 294 GLU A 87 GLU^? 17.80 O2 SO4 A 229 304 ARG A 181 ARG^? 20.14 O2 SO4 A 229 coo 15.89 18.45 46.53 15.82 16.91 48.02 4.04 54.49 93.49 5.30 54.66 91.80 coo 22.84 13.44 52.91 20.84 13.18 52.38 -1.36 49.08 88.76 -0.85 50.53 87.31 coo 8.71 17.11 46.51 7.23 17.64 49.20 10.24 57.36 93.50 12.83 58.20 92.12 ULMN 3 1pmi_c00 PHOSPHOMANNOSE ISOMERASE user 2 3 # 2 111 GLN A 184 GLN^? 16.35 O2 SO4 A 229 294 GLU A 96 GLU^? 17.08 O4 SO4 A 229 304 ARG A 181 ARG^? 20.14 O2 SO4 A 229 coo 15.89 18.45 46.53 15.82 16.91 48.02 4.04 54.49 93.49 5.30 54.66 91.80 coo 22.84 13.44 52.91 20.84 13.18 52.38 1.22 55.68 105.58 1.14 56.60 103.71 coo 8.71 17.11 46.51 7.23 17.64 49.20 10.24 57.36 93.50 12.83 58.20 92.12 ULMN 3 1pmi_c00 PHOSPHOMANNOSE ISOMERASE user 3 3 # 3 111 GLN A 224 GLN^? 4.72 O3 SO4 A 230 294 GLU A 28 GLU^? 15.00 O4 SO4 A 229 304 ARG A 218 ARG^? -3.99 O3 SO4 A 230s coo 15.89 18.45 46.53 15.82 16.91 48.02 -16.13 39.14 104.70 -16.99 39.51 102.78 coo 22.84 13.44 52.91 20.84 13.18 52.38 -5.36 37.58 106.38 -6.12 37.04 108.31 coo 8.71 17.11 46.51 7.23 17.64 49.20 -18.37 44.02 103.00 -17.96 43.09 100.10 ULMN 3 1pmi_c00 PHOSPHOMANNOSE ISOMERASE user 4 3 # 4 111 GLN B 184 GLN^? 15.80 O1 SO4 B 229 294 GLU B 87 GLU^? 17.71 O1 SO4 B 229 304 ARG B 181 ARG^? 17.91 O2 SO4 B 229 coo 15.89 18.45 46.53 15.82 16.91 48.02 1.89 5.54 107.57 1.24 4.64 105.75 coo 22.84 13.44 52.91 20.84 13.18 52.38 10.05 8.18 103.44 9.48 6.19 103.45 coo 8.71 17.11 46.51 7.23 17.64 49.20 -4.90 4.22 106.56 -7.80 3.62 107.30 1pmi_c00 source 1pmi PHOSPHOMANNOSE ISOMERASE : 4 hits 1pmi_c00 naa= 3 ULMN 3 1pnl_c00 PENICILLIN AMIDOHYDROLASE user 1 3 # 1 B 1 SER A -2 SER~? 12.73 O2 SO4 A 230 B 69 ALA A 0 ALA~? 9.58 O2 SO4 A 230 B 241 ASN A -1 ASN~? 7.62 O2 SO4 A 230 coo 13.24 41.94 33.13 13.08 39.54 33.17 -23.89 33.29 87.49 -25.22 35.21 86.74 coo 9.15 37.89 36.69 10.55 37.76 37.22 -19.24 32.22 88.85 -19.63 31.35 90.00 coo 10.91 43.03 38.47 11.81 41.82 36.93 -20.72 36.47 89.14 -19.13 37.89 88.96 1pnl_c00 source 1pnl PENICILLIN AMIDOHYDROLASE : 1 hits 1pnl_c00 naa= 3 ULMN 3 1pym_c00 PHOSPHOENOLPYRUVATE MUTASE user 1 3 # 1 A 48 LEU A 71 LEU^? 12.09 O2 SO4 A 229 A 58 ASP A 120 ASP^? 7.17 O2 SO4 A 229 A 120 LYS A 122 LYS^? 10.06 O1 SO4 A 229 coo 34.02 69.29 75.26 34.82 67.82 76.74 7.38 51.02 95.09 9.10 52.28 95.55 coo 34.46 72.45 78.57 32.82 72.75 77.28 9.29 47.78 99.49 7.80 47.36 98.01 coo 28.96 77.64 81.19 29.05 74.53 77.51 16.00 48.82 99.35 17.27 43.58 96.56 ULMN 3 1pym_c00 PHOSPHOENOLPYRUVATE MUTASE user 2 3 # 2 A 48 LEU A 139 LEU^? 16.57 O1 SO4 A 229 A 58 ASP A 115 ASP^? 8.58 O1 SO4 A 229 A 120 LYS A 122 LYS^? 10.06 O1 SO4 A 229 coo 34.02 69.29 75.26 34.82 67.82 76.74 20.36 45.27 110.12 22.13 45.82 111.25 coo 34.46 72.45 78.57 32.82 72.75 77.28 15.77 43.56 105.82 15.72 41.47 106.14 coo 28.96 77.64 81.19 29.05 74.53 77.51 16.00 48.82 99.35 17.27 43.58 96.56 ULMN 3 1pym_c00 PHOSPHOENOLPYRUVATE MUTASE user 3 3 # 3 A 48 LEU B 139 LEU^? 21.23 O3 SO4 B 229 A 58 ASP B 115 ASP^? 13.85 O3 SO4 B 229 A 120 LYS B 122 LYS^? 11.60 O2 SO4 B 229 coo 34.02 69.29 75.26 34.82 67.82 76.74 -17.27 20.53 120.00 -19.09 20.39 121.16 coo 34.46 72.45 78.57 32.82 72.75 77.28 -12.10 21.41 116.25 -11.91 23.51 116.16 coo 28.96 77.64 81.19 29.05 74.53 77.51 -10.43 15.56 110.86 -13.65 15.21 106.31 1pym_c00 source 1pym PHOSPHOENOLPYRUVATE MUTASE : 3 hits 1pym_c00 naa= 3 ULMN 3 1pym_c01 PHOSPHOENOLPYRUVATE MUTASE user 1 3 # 1 B 48 LEU A 71 LEU^? 12.09 O2 SO4 A 229 B 58 ASP A 120 ASP^? 7.17 O2 SO4 A 229 B 120 LYS A 122 LYS^? 10.06 O1 SO4 A 229 coo 54.50 104.32 58.69 55.83 105.69 59.81 7.38 51.02 95.09 9.10 52.28 95.55 coo 57.63 101.19 59.83 56.60 100.89 57.99 9.29 47.78 99.49 7.80 47.36 98.01 coo 61.58 95.88 55.22 58.18 99.30 54.71 16.00 48.82 99.35 17.27 43.58 96.56 ULMN 3 1pym_c01 PHOSPHOENOLPYRUVATE MUTASE user 2 3 # 2 B 48 LEU A 139 LEU^? 16.57 O1 SO4 A 229 B 58 ASP A 115 ASP^? 8.58 O1 SO4 A 229 B 120 LYS A 122 LYS^? 10.06 O1 SO4 A 229 coo 54.50 104.32 58.69 55.83 105.69 59.81 20.36 45.27 110.12 22.13 45.82 111.25 coo 57.63 101.19 59.83 56.60 100.89 57.99 15.77 43.56 105.82 15.72 41.47 106.14 coo 61.58 95.88 55.22 58.18 99.30 54.71 16.00 48.82 99.35 17.27 43.58 96.56 ULMN 3 1pym_c01 PHOSPHOENOLPYRUVATE MUTASE user 3 3 # 3 B 48 LEU B 139 LEU^? 21.23 O3 SO4 B 229 B 58 ASP B 115 ASP^? 13.85 O3 SO4 B 229 B 120 LYS B 122 LYS^? 11.60 O2 SO4 B 229 coo 54.50 104.32 58.69 55.83 105.69 59.81 -17.27 20.53 120.00 -19.09 20.39 121.16 coo 57.63 101.19 59.83 56.60 100.89 57.99 -12.10 21.41 116.25 -11.91 23.51 116.16 coo 61.58 95.88 55.22 58.18 99.30 54.71 -10.43 15.56 110.86 -13.65 15.21 106.31 1pym_c01 source 1pym PHOSPHOENOLPYRUVATE MUTASE : 3 hits 1pym_c01 naa= 3 ULMN 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 1 3 # 1 A 67 ASP A 208 ASP^? 7.66 O1 SO4 A 230 A 68 ALA A 211 ALA^? 4.40 O1 SO4 A 230 A 72 LEU A 212 LEU^? 7.27 O1 SO4 A 230 coo 46.76 7.59 18.65 45.27 6.01 18.52 -15.69 43.98 89.75 -16.79 45.74 90.29 coo 48.88 4.35 16.59 48.73 5.09 15.20 -15.73 45.10 94.41 -16.41 44.09 93.44 coo 53.89 6.25 15.09 52.88 7.92 14.14 -11.13 43.43 94.20 -9.04 42.92 94.57 ULMN 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 2 3 # 2 A 67 ASP A 208 ASP^? 7.66 O1 SO4 A 230 A 68 ALA A 211 ALA^? 4.40 O1 SO4 A 230 A 72 LEU A 213 LEU^? 10.20 O1 SO4 A 230 coo 46.76 7.59 18.65 45.27 6.01 18.52 -15.69 43.98 89.75 -16.79 45.74 90.29 coo 48.88 4.35 16.59 48.73 5.09 15.20 -15.73 45.10 94.41 -16.41 44.09 93.44 coo 53.89 6.25 15.09 52.88 7.92 14.14 -11.38 48.22 96.57 -9.51 48.67 95.34 ULMN 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 3 3 # 3 A 67 ASP B 208 ASP^? 25.58 O1 SO4 B 229 A 68 ALA B 211 ALA^? 24.55 O1 SO4 B 229 A 72 LEU B 212 LEU^? 18.16 O1 SO4 B 229 coo 46.76 7.59 18.65 45.27 6.01 18.52 22.68 13.69 106.98 23.40 15.21 108.39 coo 48.88 4.35 16.59 48.73 5.09 15.20 21.07 16.81 111.87 22.12 17.46 110.99 coo 53.89 6.25 15.09 52.88 7.92 14.14 17.06 17.33 109.13 15.10 17.56 108.10 ULMN 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 4 3 # 4 A 67 ASP B 208 ASP^? 25.58 O1 SO4 B 229 A 68 ALA B 211 ALA^? 24.55 O1 SO4 B 229 A 72 LEU B 213 LEU^? 19.47 O1 SO4 B 229 coo 46.76 7.59 18.65 45.27 6.01 18.52 22.68 13.69 106.98 23.40 15.21 108.39 coo 48.88 4.35 16.59 48.73 5.09 15.20 21.07 16.81 111.87 22.12 17.46 110.99 coo 53.89 6.25 15.09 52.88 7.92 14.14 15.69 14.58 113.31 14.33 13.14 112.33 1q6l_c05 source 1q6l 3-KETO-L-GULONATE 6-PHOSPHATE DECARBOXYLASE : 4 hits 1q6l_c05 naa= 3 ULMN 3 1qb4_c01 PHOSPHOENOLPYRUVATE CARBOXYLASE user 1 3 # 1 A 396 ARG A 111 ARG^? 23.82 O1 SO4 A 229 A 581 ARG A 147 ARG^? 22.82 O1 SO4 A 229 A 713 ARG A 102 ARG^? 26.30 O1 SO4 A 229 coo 23.94 27.00 -9.66 23.90 28.89 -12.21 27.79 53.22 110.53 27.99 50.20 111.12 coo 24.10 34.79 -11.24 24.18 32.99 -13.65 24.36 47.03 115.74 26.68 46.87 113.69 coo 24.26 28.71 -19.68 23.74 27.73 -16.81 20.87 56.76 118.88 22.55 56.51 116.31 ULMN 3 1qb4_c01 PHOSPHOENOLPYRUVATE CARBOXYLASE user 2 3 # 2 A 396 ARG A 147 ARG^? 22.82 O1 SO4 A 229 A 581 ARG A 111 ARG^? 23.82 O1 SO4 A 229 A 713 ARG A 102 ARG^? 26.30 O1 SO4 A 229 coo 23.94 27.00 -9.66 23.90 28.89 -12.21 24.36 47.03 115.74 26.68 46.87 113.69 coo 24.10 34.79 -11.24 24.18 32.99 -13.65 27.79 53.22 110.53 27.99 50.20 111.12 coo 24.26 28.71 -19.68 23.74 27.73 -16.81 20.87 56.76 118.88 22.55 56.51 116.31 ULMN 3 1qb4_c01 PHOSPHOENOLPYRUVATE CARBOXYLASE user 3 3 # 3 A 396 ARG B 147 ARG^? 25.99 O3 SO4 B 229 A 581 ARG B 111 ARG^? 27.08 O3 SO4 B 229 A 713 ARG B 102 ARG^? 29.89 O3 SO4 B 229 coo 23.94 27.00 -9.66 23.90 28.89 -12.21 -21.61 19.82 125.35 -22.38 21.70 123.03 coo 24.10 34.79 -11.24 24.18 32.99 -13.65 -24.28 12.69 119.80 -25.14 15.67 120.10 coo 24.26 28.71 -19.68 23.74 27.73 -16.81 -18.79 9.83 130.39 -20.19 10.03 127.65 1qb4_c01 source 1qb4 PHOSPHOENOLPYRUVATE CARBOXYLASE : 3 hits 1qb4_c01 naa= 3 ULMN 3 1qgn_c08 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 # 1 A 163 TYR A 76 TYR^? 9.48 O2 SO4 A 229 A 236 ASP A 52 ASP^? 8.69 O1 SO4 A 229 A 261 LYS A 122 LYS^? 10.06 O1 SO4 A 229 coo 55.48 26.51 40.65 55.39 23.99 39.43 10.27 43.52 89.91 10.78 42.74 92.53 coo 48.87 29.19 44.63 49.10 27.34 43.63 13.74 39.26 94.65 14.56 41.23 94.45 coo 47.58 17.35 41.83 51.40 20.85 40.83 16.00 48.82 99.35 17.27 43.58 96.56 1qgn_c08 source 1qgn CYSTATHIONINE GAMMA-SYNTHASE : 1 hits 1qgn_c08 naa= 3 ULMN 3 1qgn_c09 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 # 1 B 163 TYR A 76 TYR^? 9.48 O2 SO4 A 229 B 236 ASP A 52 ASP^? 8.69 O1 SO4 A 229 B 261 LYS A 122 LYS^? 10.06 O1 SO4 A 229 coo 32.99 -16.32 11.66 35.01 -14.70 12.72 10.27 43.52 89.91 10.78 42.74 92.53 coo 26.18 -12.82 8.91 27.87 -11.87 9.77 13.74 39.26 94.65 14.56 41.23 94.45 coo 34.76 -4.30 11.09 34.67 -9.53 11.78 16.00 48.82 99.35 17.27 43.58 96.56 1qgn_c09 source 1qgn CYSTATHIONINE GAMMA-SYNTHASE : 1 hits 1qgn_c09 naa= 3 ULMN 3 1qgn_c10 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 # 1 C 163 TYR A 76 TYR^? 9.48 O2 SO4 A 229 C 236 ASP A 52 ASP^? 8.69 O1 SO4 A 229 C 261 LYS A 122 LYS^? 10.06 O1 SO4 A 229 coo 39.51 34.34 13.63 37.63 32.61 14.79 10.27 43.52 89.91 10.78 42.74 92.53 coo 45.78 31.11 9.51 44.25 30.06 10.53 13.74 39.26 94.65 14.56 41.23 94.45 coo 37.54 22.37 12.10 37.83 27.55 13.24 16.00 48.82 99.35 17.27 43.58 96.56 1qgn_c10 source 1qgn CYSTATHIONINE GAMMA-SYNTHASE : 1 hits 1qgn_c10 naa= 3 ULMN 3 1qgn_c11 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 # 1 D 163 TYR A 76 TYR^? 9.48 O2 SO4 A 229 D 236 ASP A 52 ASP^? 8.69 O1 SO4 A 229 D 261 LYS A 122 LYS^? 10.06 O1 SO4 A 229 coo 21.28 -11.43 41.42 21.14 -8.83 40.39 10.27 43.52 89.91 10.78 42.74 92.53 coo 28.41 -14.31 44.14 27.98 -12.36 43.41 13.74 39.26 94.65 14.56 41.23 94.45 coo 29.23 -2.19 42.26 25.35 -5.68 41.50 16.00 48.82 99.35 17.27 43.58 96.56 1qgn_c11 source 1qgn CYSTATHIONINE GAMMA-SYNTHASE : 1 hits 1qgn_c11 naa= 3 ULMN 3 1qgn_c12 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 # 1 E 163 TYR A 76 TYR^? 9.48 O2 SO4 A 229 E 236 ASP A 52 ASP^? 8.69 O1 SO4 A 229 E 261 LYS A 122 LYS^? 10.06 O1 SO4 A 229 coo 56.39 -25.68 -36.91 53.88 -25.46 -38.13 10.27 43.52 89.91 10.78 42.74 92.53 coo 59.54 -19.27 -32.99 57.70 -19.44 -33.97 13.74 39.26 94.65 14.56 41.23 94.45 coo 47.72 -17.32 -35.69 50.97 -21.34 -36.71 16.00 48.82 99.35 17.27 43.58 96.56 1qgn_c12 source 1qgn CYSTATHIONINE GAMMA-SYNTHASE : 1 hits 1qgn_c12 naa= 3 ULMN 3 1qgn_c13 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 # 1 F 163 TYR A 76 TYR^? 9.48 O2 SO4 A 229 F 236 ASP A 52 ASP^? 8.69 O1 SO4 A 229 F 261 LYS A 122 LYS^? 10.06 O1 SO4 A 229 coo 14.88 -1.19 -65.80 16.37 -3.30 -64.72 10.27 43.52 89.91 10.78 42.74 92.53 coo 18.75 5.49 -68.65 19.58 3.75 -67.80 13.74 39.26 94.65 14.56 41.23 94.45 coo 26.66 -3.59 -66.44 21.49 -3.17 -65.71 16.00 48.82 99.35 17.27 43.58 96.56 1qgn_c13 source 1qgn CYSTATHIONINE GAMMA-SYNTHASE : 1 hits 1qgn_c13 naa= 3 ULMN 3 1qgn_c14 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 # 1 G 163 TYR A 76 TYR^? 9.48 O2 SO4 A 229 G 236 ASP A 52 ASP^? 8.69 O1 SO4 A 229 G 261 LYS A 122 LYS^? 10.06 O1 SO4 A 229 coo 64.84 -10.79 -64.16 63.27 -8.78 -63.00 10.27 43.52 89.91 10.78 42.74 92.53 coo 61.22 -16.97 -68.13 60.30 -15.38 -67.08 13.74 39.26 94.65 14.56 41.23 94.45 coo 53.04 -8.15 -65.60 58.23 -8.69 -64.55 16.00 48.82 99.35 17.27 43.58 96.56 1qgn_c14 source 1qgn CYSTATHIONINE GAMMA-SYNTHASE : 1 hits 1qgn_c14 naa= 3 ULMN 3 1qgn_c15 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 # 1 H 163 TYR A 76 TYR^? 9.48 O2 SO4 A 229 H 236 ASP A 52 ASP^? 8.69 O1 SO4 A 229 H 261 LYS A 122 LYS^? 10.06 O1 SO4 A 229 coo 20.90 10.83 -36.23 23.51 10.75 -37.23 10.27 43.52 89.91 10.78 42.74 92.53 coo 17.57 3.99 -33.38 19.51 4.24 -34.16 13.74 39.26 94.65 14.56 41.23 94.45 coo 29.54 2.32 -35.34 26.33 6.41 -36.17 16.00 48.82 99.35 17.27 43.58 96.56 1qgn_c15 source 1qgn CYSTATHIONINE GAMMA-SYNTHASE : 1 hits 1qgn_c15 naa= 3 ULMN 3 1qgn_c16 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 # 1 A 110 ARG A 54 ARG^? -2.64 O2 SO4 A 229s C 163 TYR A 93 TYR^? 6.38 O2 SO4 A 229 C 236 ASP A 120 ASP^? 7.17 O2 SO4 A 229 coo 39.01 29.77 22.02 37.48 31.30 19.84 5.30 36.31 96.12 6.03 38.74 97.87 coo 39.51 34.34 13.63 37.63 32.61 14.79 1.20 45.36 98.99 3.01 43.25 98.50 coo 45.78 31.11 9.51 44.25 30.06 10.53 9.29 47.78 99.49 7.80 47.36 98.01 ULMN 3 1qgn_c16 CYSTATHIONINE GAMMA-SYNTHASE user 2 3 # 2 A 110 ARG B 25 ARG^? 18.98 O3 SO4 B 229 C 163 TYR B 27 TYR^? 6.20 O3 SO4 B 229 C 236 ASP B 120 ASP^? 8.68 O3 SO4 B 229 coo 39.01 29.77 22.02 37.48 31.30 19.84 7.91 26.52 118.07 7.56 27.20 121.14 coo 39.51 34.34 13.63 37.63 32.61 14.79 3.82 22.31 109.84 1.63 20.66 109.20 coo 45.78 31.11 9.51 44.25 30.06 10.53 -4.32 17.92 112.37 -3.28 16.49 113.53 ULMN 3 1qgn_c16 CYSTATHIONINE GAMMA-SYNTHASE user 3 3 # 3 A 110 ARG B 54 ARG^? -2.73 O1 SO4 B 229s C 163 TYR B 27 TYR^? 6.20 O3 SO4 B 229 C 236 ASP B 120 ASP^? 8.68 O3 SO4 B 229 coo 39.01 29.77 22.02 37.48 31.30 19.84 2.04 21.87 100.04 0.47 20.79 102.47 coo 39.51 34.34 13.63 37.63 32.61 14.79 3.82 22.31 109.84 1.63 20.66 109.20 coo 45.78 31.11 9.51 44.25 30.06 10.53 -4.32 17.92 112.37 -3.28 16.49 113.53 ULMN 3 1qgn_c16 CYSTATHIONINE GAMMA-SYNTHASE user 4 3 # 4 A 110 ARG B 54 ARG^? -2.73 O1 SO4 B 229s C 163 TYR B 63 TYR^? 12.59 O4 SO4 B 229 C 236 ASP B 64 ASP^? 18.27 O3 SO4 A 231 coo 39.01 29.77 22.02 37.48 31.30 19.84 2.04 21.87 100.04 0.47 20.79 102.47 coo 39.51 34.34 13.63 37.63 32.61 14.79 6.08 23.92 93.84 4.01 25.72 94.40 coo 45.78 31.11 9.51 44.25 30.06 10.53 12.23 21.46 92.76 12.58 23.03 91.40 ULMN 3 1qgn_c16 CYSTATHIONINE GAMMA-SYNTHASE user 5 3 # 5 A 110 ARG B 54 ARG^? -2.73 O1 SO4 B 229s C 163 TYR B 93 TYR^? -6.26 O1 SO4 B 229s C 236 ASP B 120 ASP^? 8.68 O3 SO4 B 229 coo 39.01 29.77 22.02 37.48 31.30 19.84 2.04 21.87 100.04 0.47 20.79 102.47 coo 39.51 34.34 13.63 37.63 32.61 14.79 3.42 16.10 108.71 2.04 17.62 106.85 coo 45.78 31.11 9.51 44.25 30.06 10.53 -4.32 17.92 112.37 -3.28 16.49 113.53 ULMN 3 1qgn_c16 CYSTATHIONINE GAMMA-SYNTHASE user 6 3 # 6 A 110 ARG B 70 ARG^? 17.55 O1 SO4 B 229 C 163 TYR B 76 TYR^? 10.65 O1 SO4 B 229 C 236 ASP B 52 ASP^? 8.63 O2 SO4 B 229 coo 39.01 29.77 22.02 37.48 31.30 19.84 4.92 7.16 103.42 6.42 4.45 103.73 coo 39.51 34.34 13.63 37.63 32.61 14.79 -1.19 11.89 95.80 -2.29 13.70 97.62 coo 45.78 31.11 9.51 44.25 30.06 10.53 -5.20 17.74 96.96 -6.16 15.91 97.49 ULMN 3 1qgn_c16 CYSTATHIONINE GAMMA-SYNTHASE user 7 3 # 7 A 110 ARG B 204 ARG^? 28.80 O1 SO4 B 229 C 163 TYR B 197 TYR^? 27.50 O1 SO4 B 229 C 236 ASP B 196 ASP^? 21.51 O1 SO4 B 229 coo 39.01 29.77 22.02 37.48 31.30 19.84 22.06 9.76 97.61 23.97 10.05 95.18 coo 39.51 34.34 13.63 37.63 32.61 14.79 17.53 10.39 88.21 19.44 8.55 89.12 coo 45.78 31.11 9.51 44.25 30.06 10.53 12.23 15.64 88.97 13.40 17.43 88.99 1qgn_c16 source 1qgn CYSTATHIONINE GAMMA-SYNTHASE : 7 hits 1qgn_c16 naa= 3 ULMN 3 1qgn_c17 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 # 1 B 110 ARG A 54 ARG^? -2.64 O2 SO4 A 229s D 163 TYR A 93 TYR^? 6.38 O2 SO4 A 229 D 236 ASP A 120 ASP^? 7.17 O2 SO4 A 229 coo 23.05 -7.35 32.81 21.30 -7.38 35.33 5.30 36.31 96.12 6.03 38.74 97.87 coo 21.28 -11.43 41.42 21.14 -8.83 40.39 1.20 45.36 98.99 3.01 43.25 98.50 coo 28.41 -14.31 44.14 27.98 -12.36 43.41 9.29 47.78 99.49 7.80 47.36 98.01 ULMN 3 1qgn_c17 CYSTATHIONINE GAMMA-SYNTHASE user 2 3 # 2 B 110 ARG B 25 ARG^? 18.98 O3 SO4 B 229 D 163 TYR B 27 TYR^? 6.20 O3 SO4 B 229 D 236 ASP B 120 ASP^? 8.68 O3 SO4 B 229 coo 23.05 -7.35 32.81 21.30 -7.38 35.33 7.91 26.52 118.07 7.56 27.20 121.14 coo 21.28 -11.43 41.42 21.14 -8.83 40.39 3.82 22.31 109.84 1.63 20.66 109.20 coo 28.41 -14.31 44.14 27.98 -12.36 43.41 -4.32 17.92 112.37 -3.28 16.49 113.53 ULMN 3 1qgn_c17 CYSTATHIONINE GAMMA-SYNTHASE user 3 3 # 3 B 110 ARG B 54 ARG^? -2.73 O1 SO4 B 229s D 163 TYR B 27 TYR^? 6.20 O3 SO4 B 229 D 236 ASP B 120 ASP^? 8.68 O3 SO4 B 229 coo 23.05 -7.35 32.81 21.30 -7.38 35.33 2.04 21.87 100.04 0.47 20.79 102.47 coo 21.28 -11.43 41.42 21.14 -8.83 40.39 3.82 22.31 109.84 1.63 20.66 109.20 coo 28.41 -14.31 44.14 27.98 -12.36 43.41 -4.32 17.92 112.37 -3.28 16.49 113.53 ULMN 3 1qgn_c17 CYSTATHIONINE GAMMA-SYNTHASE user 4 3 # 4 B 110 ARG B 54 ARG^? -2.73 O1 SO4 B 229s D 163 TYR B 93 TYR^? -6.26 O1 SO4 B 229s D 236 ASP B 120 ASP^? 8.68 O3 SO4 B 229 coo 23.05 -7.35 32.81 21.30 -7.38 35.33 2.04 21.87 100.04 0.47 20.79 102.47 coo 21.28 -11.43 41.42 21.14 -8.83 40.39 3.42 16.10 108.71 2.04 17.62 106.85 coo 28.41 -14.31 44.14 27.98 -12.36 43.41 -4.32 17.92 112.37 -3.28 16.49 113.53 ULMN 3 1qgn_c17 CYSTATHIONINE GAMMA-SYNTHASE user 5 3 # 5 B 110 ARG B 70 ARG^? 17.55 O1 SO4 B 229 D 163 TYR B 76 TYR^? 10.65 O1 SO4 B 229 D 236 ASP B 52 ASP^? 8.63 O2 SO4 B 229 coo 23.05 -7.35 32.81 21.30 -7.38 35.33 4.92 7.16 103.42 6.42 4.45 103.73 coo 21.28 -11.43 41.42 21.14 -8.83 40.39 -1.19 11.89 95.80 -2.29 13.70 97.62 coo 28.41 -14.31 44.14 27.98 -12.36 43.41 -5.20 17.74 96.96 -6.16 15.91 97.49 ULMN 3 1qgn_c17 CYSTATHIONINE GAMMA-SYNTHASE user 6 3 # 6 B 110 ARG B 204 ARG^? 28.80 O1 SO4 B 229 D 163 TYR B 197 TYR^? 27.50 O1 SO4 B 229 D 236 ASP B 196 ASP^? 21.51 O1 SO4 B 229 coo 23.05 -7.35 32.81 21.30 -7.38 35.33 22.06 9.76 97.61 23.97 10.05 95.18 coo 21.28 -11.43 41.42 21.14 -8.83 40.39 17.53 10.39 88.21 19.44 8.55 89.12 coo 28.41 -14.31 44.14 27.98 -12.36 43.41 12.23 15.64 88.97 13.40 17.43 88.99 1qgn_c17 source 1qgn CYSTATHIONINE GAMMA-SYNTHASE : 6 hits 1qgn_c17 naa= 3 ULMN 3 1qgn_c18 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 # 1 A 163 TYR A 93 TYR^? 6.38 O2 SO4 A 229 A 236 ASP A 120 ASP^? 7.17 O2 SO4 A 229 C 110 ARG A 54 ARG^? -2.64 O2 SO4 A 229s coo 55.48 26.51 40.65 55.39 23.99 39.43 1.20 45.36 98.99 3.01 43.25 98.50 coo 48.87 29.19 44.63 49.10 27.34 43.63 9.29 47.78 99.49 7.80 47.36 98.01 coo 52.39 23.42 32.10 54.51 23.27 34.29 5.30 36.31 96.12 6.03 38.74 97.87 ULMN 3 1qgn_c18 CYSTATHIONINE GAMMA-SYNTHASE user 2 3 # 2 A 163 TYR B 27 TYR^? 6.20 O3 SO4 B 229 A 236 ASP B 120 ASP^? 8.68 O3 SO4 B 229 C 110 ARG B 25 ARG^? 18.98 O3 SO4 B 229 coo 55.48 26.51 40.65 55.39 23.99 39.43 3.82 22.31 109.84 1.63 20.66 109.20 coo 48.87 29.19 44.63 49.10 27.34 43.63 -4.32 17.92 112.37 -3.28 16.49 113.53 coo 52.39 23.42 32.10 54.51 23.27 34.29 7.91 26.52 118.07 7.56 27.20 121.14 ULMN 3 1qgn_c18 CYSTATHIONINE GAMMA-SYNTHASE user 3 3 # 3 A 163 TYR B 27 TYR^? 6.20 O3 SO4 B 229 A 236 ASP B 120 ASP^? 8.68 O3 SO4 B 229 C 110 ARG B 54 ARG^? -2.73 O1 SO4 B 229s coo 55.48 26.51 40.65 55.39 23.99 39.43 3.82 22.31 109.84 1.63 20.66 109.20 coo 48.87 29.19 44.63 49.10 27.34 43.63 -4.32 17.92 112.37 -3.28 16.49 113.53 coo 52.39 23.42 32.10 54.51 23.27 34.29 2.04 21.87 100.04 0.47 20.79 102.47 ULMN 3 1qgn_c18 CYSTATHIONINE GAMMA-SYNTHASE user 4 3 # 4 A 163 TYR B 63 TYR^? 12.59 O4 SO4 B 229 A 236 ASP B 64 ASP^? 18.27 O3 SO4 A 231 C 110 ARG B 54 ARG^? -2.73 O1 SO4 B 229s coo 55.48 26.51 40.65 55.39 23.99 39.43 6.08 23.92 93.84 4.01 25.72 94.40 coo 48.87 29.19 44.63 49.10 27.34 43.63 12.23 21.46 92.76 12.58 23.03 91.40 coo 52.39 23.42 32.10 54.51 23.27 34.29 2.04 21.87 100.04 0.47 20.79 102.47 ULMN 3 1qgn_c18 CYSTATHIONINE GAMMA-SYNTHASE user 5 3 # 5 A 163 TYR B 76 TYR^? 10.65 O1 SO4 B 229 A 236 ASP B 52 ASP^? 8.63 O2 SO4 B 229 C 110 ARG B 70 ARG^? 17.55 O1 SO4 B 229 coo 55.48 26.51 40.65 55.39 23.99 39.43 -1.19 11.89 95.80 -2.29 13.70 97.62 coo 48.87 29.19 44.63 49.10 27.34 43.63 -5.20 17.74 96.96 -6.16 15.91 97.49 coo 52.39 23.42 32.10 54.51 23.27 34.29 4.92 7.16 103.42 6.42 4.45 103.73 ULMN 3 1qgn_c18 CYSTATHIONINE GAMMA-SYNTHASE user 6 3 # 6 A 163 TYR B 93 TYR^? -6.26 O1 SO4 B 229s A 236 ASP B 120 ASP^? 8.68 O3 SO4 B 229 C 110 ARG B 54 ARG^? -2.73 O1 SO4 B 229s coo 55.48 26.51 40.65 55.39 23.99 39.43 3.42 16.10 108.71 2.04 17.62 106.85 coo 48.87 29.19 44.63 49.10 27.34 43.63 -4.32 17.92 112.37 -3.28 16.49 113.53 coo 52.39 23.42 32.10 54.51 23.27 34.29 2.04 21.87 100.04 0.47 20.79 102.47 ULMN 3 1qgn_c18 CYSTATHIONINE GAMMA-SYNTHASE user 7 3 # 7 A 163 TYR B 197 TYR^? 27.50 O1 SO4 B 229 A 236 ASP B 196 ASP^? 21.51 O1 SO4 B 229 C 110 ARG B 204 ARG^? 28.80 O1 SO4 B 229 coo 55.48 26.51 40.65 55.39 23.99 39.43 17.53 10.39 88.21 19.44 8.55 89.12 coo 48.87 29.19 44.63 49.10 27.34 43.63 12.23 15.64 88.97 13.40 17.43 88.99 coo 52.39 23.42 32.10 54.51 23.27 34.29 22.06 9.76 97.61 23.97 10.05 95.18 1qgn_c18 source 1qgn CYSTATHIONINE GAMMA-SYNTHASE : 7 hits 1qgn_c18 naa= 3 ULMN 3 1qgn_c19 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 # 1 B 163 TYR A 93 TYR^? 6.38 O2 SO4 A 229 B 236 ASP A 120 ASP^? 7.17 O2 SO4 A 229 D 110 ARG A 54 ARG^? -2.64 O2 SO4 A 229s coo 32.99 -16.32 11.66 35.01 -14.70 12.72 1.20 45.36 98.99 3.01 43.25 98.50 coo 26.18 -12.82 8.91 27.87 -11.87 9.77 9.29 47.78 99.49 7.80 47.36 98.01 coo 34.79 -12.60 20.34 35.97 -13.92 17.84 5.30 36.31 96.12 6.03 38.74 97.87 ULMN 3 1qgn_c19 CYSTATHIONINE GAMMA-SYNTHASE user 2 3 # 2 B 163 TYR B 27 TYR^? 6.20 O3 SO4 B 229 B 236 ASP B 120 ASP^? 8.68 O3 SO4 B 229 D 110 ARG B 25 ARG^? 18.98 O3 SO4 B 229 coo 32.99 -16.32 11.66 35.01 -14.70 12.72 3.82 22.31 109.84 1.63 20.66 109.20 coo 26.18 -12.82 8.91 27.87 -11.87 9.77 -4.32 17.92 112.37 -3.28 16.49 113.53 coo 34.79 -12.60 20.34 35.97 -13.92 17.84 7.91 26.52 118.07 7.56 27.20 121.14 ULMN 3 1qgn_c19 CYSTATHIONINE GAMMA-SYNTHASE user 3 3 # 3 B 163 TYR B 27 TYR^? 6.20 O3 SO4 B 229 B 236 ASP B 120 ASP^? 8.68 O3 SO4 B 229 D 110 ARG B 54 ARG^? -2.73 O1 SO4 B 229s coo 32.99 -16.32 11.66 35.01 -14.70 12.72 3.82 22.31 109.84 1.63 20.66 109.20 coo 26.18 -12.82 8.91 27.87 -11.87 9.77 -4.32 17.92 112.37 -3.28 16.49 113.53 coo 34.79 -12.60 20.34 35.97 -13.92 17.84 2.04 21.87 100.04 0.47 20.79 102.47 ULMN 3 1qgn_c19 CYSTATHIONINE GAMMA-SYNTHASE user 4 3 # 4 B 163 TYR B 63 TYR^? 12.59 O4 SO4 B 229 B 236 ASP B 64 ASP^? 18.27 O3 SO4 A 231 D 110 ARG B 54 ARG^? -2.73 O1 SO4 B 229s coo 32.99 -16.32 11.66 35.01 -14.70 12.72 6.08 23.92 93.84 4.01 25.72 94.40 coo 26.18 -12.82 8.91 27.87 -11.87 9.77 12.23 21.46 92.76 12.58 23.03 91.40 coo 34.79 -12.60 20.34 35.97 -13.92 17.84 2.04 21.87 100.04 0.47 20.79 102.47 ULMN 3 1qgn_c19 CYSTATHIONINE GAMMA-SYNTHASE user 5 3 # 5 B 163 TYR B 76 TYR^? 10.65 O1 SO4 B 229 B 236 ASP B 52 ASP^? 8.63 O2 SO4 B 229 D 110 ARG B 70 ARG^? 17.55 O1 SO4 B 229 coo 32.99 -16.32 11.66 35.01 -14.70 12.72 -1.19 11.89 95.80 -2.29 13.70 97.62 coo 26.18 -12.82 8.91 27.87 -11.87 9.77 -5.20 17.74 96.96 -6.16 15.91 97.49 coo 34.79 -12.60 20.34 35.97 -13.92 17.84 4.92 7.16 103.42 6.42 4.45 103.73 ULMN 3 1qgn_c19 CYSTATHIONINE GAMMA-SYNTHASE user 6 3 # 6 B 163 TYR B 93 TYR^? -6.26 O1 SO4 B 229s B 236 ASP B 120 ASP^? 8.68 O3 SO4 B 229 D 110 ARG B 54 ARG^? -2.73 O1 SO4 B 229s coo 32.99 -16.32 11.66 35.01 -14.70 12.72 3.42 16.10 108.71 2.04 17.62 106.85 coo 26.18 -12.82 8.91 27.87 -11.87 9.77 -4.32 17.92 112.37 -3.28 16.49 113.53 coo 34.79 -12.60 20.34 35.97 -13.92 17.84 2.04 21.87 100.04 0.47 20.79 102.47 ULMN 3 1qgn_c19 CYSTATHIONINE GAMMA-SYNTHASE user 7 3 # 7 B 163 TYR B 197 TYR^? 27.50 O1 SO4 B 229 B 236 ASP B 196 ASP^? 21.51 O1 SO4 B 229 D 110 ARG B 204 ARG^? 28.80 O1 SO4 B 229 coo 32.99 -16.32 11.66 35.01 -14.70 12.72 17.53 10.39 88.21 19.44 8.55 89.12 coo 26.18 -12.82 8.91 27.87 -11.87 9.77 12.23 15.64 88.97 13.40 17.43 88.99 coo 34.79 -12.60 20.34 35.97 -13.92 17.84 22.06 9.76 97.61 23.97 10.05 95.18 1qgn_c19 source 1qgn CYSTATHIONINE GAMMA-SYNTHASE : 7 hits 1qgn_c19 naa= 3 ULMN 3 1qgn_c20 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 # 1 E 110 ARG A 54 ARG^? -2.64 O2 SO4 A 229s G 163 TYR A 93 TYR^? 6.38 O2 SO4 A 229 G 236 ASP A 120 ASP^? 7.17 O2 SO4 A 229 coo 60.40 -9.85 -55.76 62.00 -8.48 -58.01 5.30 36.31 96.12 6.03 38.74 97.87 coo 64.84 -10.79 -64.16 63.27 -8.78 -63.00 1.20 45.36 98.99 3.01 43.25 98.50 coo 61.22 -16.97 -68.13 60.30 -15.38 -67.08 9.29 47.78 99.49 7.80 47.36 98.01 ULMN 3 1qgn_c20 CYSTATHIONINE GAMMA-SYNTHASE user 2 3 # 2 E 110 ARG B 25 ARG^? 18.98 O3 SO4 B 229 G 163 TYR B 27 TYR^? 6.20 O3 SO4 B 229 G 236 ASP B 120 ASP^? 8.68 O3 SO4 B 229 coo 60.40 -9.85 -55.76 62.00 -8.48 -58.01 7.91 26.52 118.07 7.56 27.20 121.14 coo 64.84 -10.79 -64.16 63.27 -8.78 -63.00 3.82 22.31 109.84 1.63 20.66 109.20 coo 61.22 -16.97 -68.13 60.30 -15.38 -67.08 -4.32 17.92 112.37 -3.28 16.49 113.53 ULMN 3 1qgn_c20 CYSTATHIONINE GAMMA-SYNTHASE user 3 3 # 3 E 110 ARG B 54 ARG^? -2.73 O1 SO4 B 229s G 163 TYR B 27 TYR^? 6.20 O3 SO4 B 229 G 236 ASP B 120 ASP^? 8.68 O3 SO4 B 229 coo 60.40 -9.85 -55.76 62.00 -8.48 -58.01 2.04 21.87 100.04 0.47 20.79 102.47 coo 64.84 -10.79 -64.16 63.27 -8.78 -63.00 3.82 22.31 109.84 1.63 20.66 109.20 coo 61.22 -16.97 -68.13 60.30 -15.38 -67.08 -4.32 17.92 112.37 -3.28 16.49 113.53 ULMN 3 1qgn_c20 CYSTATHIONINE GAMMA-SYNTHASE user 4 3 # 4 E 110 ARG B 54 ARG^? -2.73 O1 SO4 B 229s G 163 TYR B 63 TYR^? 12.59 O4 SO4 B 229 G 236 ASP B 64 ASP^? 18.27 O3 SO4 A 231 coo 60.40 -9.85 -55.76 62.00 -8.48 -58.01 2.04 21.87 100.04 0.47 20.79 102.47 coo 64.84 -10.79 -64.16 63.27 -8.78 -63.00 6.08 23.92 93.84 4.01 25.72 94.40 coo 61.22 -16.97 -68.13 60.30 -15.38 -67.08 12.23 21.46 92.76 12.58 23.03 91.40 ULMN 3 1qgn_c20 CYSTATHIONINE GAMMA-SYNTHASE user 5 3 # 5 E 110 ARG B 54 ARG^? -2.73 O1 SO4 B 229s G 163 TYR B 93 TYR^? -6.26 O1 SO4 B 229s G 236 ASP B 120 ASP^? 8.68 O3 SO4 B 229 coo 60.40 -9.85 -55.76 62.00 -8.48 -58.01 2.04 21.87 100.04 0.47 20.79 102.47 coo 64.84 -10.79 -64.16 63.27 -8.78 -63.00 3.42 16.10 108.71 2.04 17.62 106.85 coo 61.22 -16.97 -68.13 60.30 -15.38 -67.08 -4.32 17.92 112.37 -3.28 16.49 113.53 ULMN 3 1qgn_c20 CYSTATHIONINE GAMMA-SYNTHASE user 6 3 # 6 E 110 ARG B 70 ARG^? 17.55 O1 SO4 B 229 G 163 TYR B 76 TYR^? 10.65 O1 SO4 B 229 G 236 ASP B 52 ASP^? 8.63 O2 SO4 B 229 coo 60.40 -9.85 -55.76 62.00 -8.48 -58.01 4.92 7.16 103.42 6.42 4.45 103.73 coo 64.84 -10.79 -64.16 63.27 -8.78 -63.00 -1.19 11.89 95.80 -2.29 13.70 97.62 coo 61.22 -16.97 -68.13 60.30 -15.38 -67.08 -5.20 17.74 96.96 -6.16 15.91 97.49 ULMN 3 1qgn_c20 CYSTATHIONINE GAMMA-SYNTHASE user 7 3 # 7 E 110 ARG B 204 ARG^? 28.80 O1 SO4 B 229 G 163 TYR B 197 TYR^? 27.50 O1 SO4 B 229 G 236 ASP B 196 ASP^? 21.51 O1 SO4 B 229 coo 60.40 -9.85 -55.76 62.00 -8.48 -58.01 22.06 9.76 97.61 23.97 10.05 95.18 coo 64.84 -10.79 -64.16 63.27 -8.78 -63.00 17.53 10.39 88.21 19.44 8.55 89.12 coo 61.22 -16.97 -68.13 60.30 -15.38 -67.08 12.23 15.64 88.97 13.40 17.43 88.99 1qgn_c20 source 1qgn CYSTATHIONINE GAMMA-SYNTHASE : 7 hits 1qgn_c20 naa= 3 ULMN 3 1qgn_c21 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 # 1 F 110 ARG A 54 ARG^? -2.64 O2 SO4 A 229s H 163 TYR A 93 TYR^? 6.38 O2 SO4 A 229 H 236 ASP A 120 ASP^? 7.17 O2 SO4 A 229 coo 24.62 8.71 -44.89 24.77 10.53 -42.42 5.30 36.31 96.12 6.03 38.74 97.87 coo 20.90 10.83 -36.23 23.51 10.75 -37.23 1.20 45.36 98.99 3.01 43.25 98.50 coo 17.57 3.99 -33.38 19.51 4.24 -34.16 9.29 47.78 99.49 7.80 47.36 98.01 ULMN 3 1qgn_c21 CYSTATHIONINE GAMMA-SYNTHASE user 2 3 # 2 F 110 ARG B 25 ARG^? 18.98 O3 SO4 B 229 H 163 TYR B 27 TYR^? 6.20 O3 SO4 B 229 H 236 ASP B 120 ASP^? 8.68 O3 SO4 B 229 coo 24.62 8.71 -44.89 24.77 10.53 -42.42 7.91 26.52 118.07 7.56 27.20 121.14 coo 20.90 10.83 -36.23 23.51 10.75 -37.23 3.82 22.31 109.84 1.63 20.66 109.20 coo 17.57 3.99 -33.38 19.51 4.24 -34.16 -4.32 17.92 112.37 -3.28 16.49 113.53 ULMN 3 1qgn_c21 CYSTATHIONINE GAMMA-SYNTHASE user 3 3 # 3 F 110 ARG B 54 ARG^? -2.73 O1 SO4 B 229s H 163 TYR B 27 TYR^? 6.20 O3 SO4 B 229 H 236 ASP B 120 ASP^? 8.68 O3 SO4 B 229 coo 24.62 8.71 -44.89 24.77 10.53 -42.42 2.04 21.87 100.04 0.47 20.79 102.47 coo 20.90 10.83 -36.23 23.51 10.75 -37.23 3.82 22.31 109.84 1.63 20.66 109.20 coo 17.57 3.99 -33.38 19.51 4.24 -34.16 -4.32 17.92 112.37 -3.28 16.49 113.53 ULMN 3 1qgn_c21 CYSTATHIONINE GAMMA-SYNTHASE user 4 3 # 4 F 110 ARG B 54 ARG^? -2.73 O1 SO4 B 229s H 163 TYR B 93 TYR^? -6.26 O1 SO4 B 229s H 236 ASP B 120 ASP^? 8.68 O3 SO4 B 229 coo 24.62 8.71 -44.89 24.77 10.53 -42.42 2.04 21.87 100.04 0.47 20.79 102.47 coo 20.90 10.83 -36.23 23.51 10.75 -37.23 3.42 16.10 108.71 2.04 17.62 106.85 coo 17.57 3.99 -33.38 19.51 4.24 -34.16 -4.32 17.92 112.37 -3.28 16.49 113.53 ULMN 3 1qgn_c21 CYSTATHIONINE GAMMA-SYNTHASE user 5 3 # 5 F 110 ARG B 70 ARG^? 17.55 O1 SO4 B 229 H 163 TYR B 76 TYR^? 10.65 O1 SO4 B 229 H 236 ASP B 52 ASP^? 8.63 O2 SO4 B 229 coo 24.62 8.71 -44.89 24.77 10.53 -42.42 4.92 7.16 103.42 6.42 4.45 103.73 coo 20.90 10.83 -36.23 23.51 10.75 -37.23 -1.19 11.89 95.80 -2.29 13.70 97.62 coo 17.57 3.99 -33.38 19.51 4.24 -34.16 -5.20 17.74 96.96 -6.16 15.91 97.49 ULMN 3 1qgn_c21 CYSTATHIONINE GAMMA-SYNTHASE user 6 3 # 6 F 110 ARG B 204 ARG^? 28.80 O1 SO4 B 229 H 163 TYR B 197 TYR^? 27.50 O1 SO4 B 229 H 236 ASP B 196 ASP^? 21.51 O1 SO4 B 229 coo 24.62 8.71 -44.89 24.77 10.53 -42.42 22.06 9.76 97.61 23.97 10.05 95.18 coo 20.90 10.83 -36.23 23.51 10.75 -37.23 17.53 10.39 88.21 19.44 8.55 89.12 coo 17.57 3.99 -33.38 19.51 4.24 -34.16 12.23 15.64 88.97 13.40 17.43 88.99 1qgn_c21 source 1qgn CYSTATHIONINE GAMMA-SYNTHASE : 6 hits 1qgn_c21 naa= 3 ULMN 3 1qgn_c22 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 # 1 E 163 TYR A 93 TYR^? 6.38 O2 SO4 A 229 E 236 ASP A 120 ASP^? 7.17 O2 SO4 A 229 G 110 ARG A 54 ARG^? -2.64 O2 SO4 A 229s coo 56.39 -25.68 -36.91 53.88 -25.46 -38.13 1.20 45.36 98.99 3.01 43.25 98.50 coo 59.54 -19.27 -32.99 57.70 -19.44 -33.97 9.29 47.78 99.49 7.80 47.36 98.01 coo 53.35 -22.70 -45.35 52.95 -24.81 -43.16 5.30 36.31 96.12 6.03 38.74 97.87 ULMN 3 1qgn_c22 CYSTATHIONINE GAMMA-SYNTHASE user 2 3 # 2 E 163 TYR B 27 TYR^? 6.20 O3 SO4 B 229 E 236 ASP B 120 ASP^? 8.68 O3 SO4 B 229 G 110 ARG B 25 ARG^? 18.98 O3 SO4 B 229 coo 56.39 -25.68 -36.91 53.88 -25.46 -38.13 3.82 22.31 109.84 1.63 20.66 109.20 coo 59.54 -19.27 -32.99 57.70 -19.44 -33.97 -4.32 17.92 112.37 -3.28 16.49 113.53 coo 53.35 -22.70 -45.35 52.95 -24.81 -43.16 7.91 26.52 118.07 7.56 27.20 121.14 ULMN 3 1qgn_c22 CYSTATHIONINE GAMMA-SYNTHASE user 3 3 # 3 E 163 TYR B 27 TYR^? 6.20 O3 SO4 B 229 E 236 ASP B 120 ASP^? 8.68 O3 SO4 B 229 G 110 ARG B 54 ARG^? -2.73 O1 SO4 B 229s coo 56.39 -25.68 -36.91 53.88 -25.46 -38.13 3.82 22.31 109.84 1.63 20.66 109.20 coo 59.54 -19.27 -32.99 57.70 -19.44 -33.97 -4.32 17.92 112.37 -3.28 16.49 113.53 coo 53.35 -22.70 -45.35 52.95 -24.81 -43.16 2.04 21.87 100.04 0.47 20.79 102.47 ULMN 3 1qgn_c22 CYSTATHIONINE GAMMA-SYNTHASE user 4 3 # 4 E 163 TYR B 63 TYR^? 12.59 O4 SO4 B 229 E 236 ASP B 64 ASP^? 18.27 O3 SO4 A 231 G 110 ARG B 54 ARG^? -2.73 O1 SO4 B 229s coo 56.39 -25.68 -36.91 53.88 -25.46 -38.13 6.08 23.92 93.84 4.01 25.72 94.40 coo 59.54 -19.27 -32.99 57.70 -19.44 -33.97 12.23 21.46 92.76 12.58 23.03 91.40 coo 53.35 -22.70 -45.35 52.95 -24.81 -43.16 2.04 21.87 100.04 0.47 20.79 102.47 ULMN 3 1qgn_c22 CYSTATHIONINE GAMMA-SYNTHASE user 5 3 # 5 E 163 TYR B 76 TYR^? 10.65 O1 SO4 B 229 E 236 ASP B 52 ASP^? 8.63 O2 SO4 B 229 G 110 ARG B 70 ARG^? 17.55 O1 SO4 B 229 coo 56.39 -25.68 -36.91 53.88 -25.46 -38.13 -1.19 11.89 95.80 -2.29 13.70 97.62 coo 59.54 -19.27 -32.99 57.70 -19.44 -33.97 -5.20 17.74 96.96 -6.16 15.91 97.49 coo 53.35 -22.70 -45.35 52.95 -24.81 -43.16 4.92 7.16 103.42 6.42 4.45 103.73 ULMN 3 1qgn_c22 CYSTATHIONINE GAMMA-SYNTHASE user 6 3 # 6 E 163 TYR B 93 TYR^? -6.26 O1 SO4 B 229s E 236 ASP B 120 ASP^? 8.68 O3 SO4 B 229 G 110 ARG B 54 ARG^? -2.73 O1 SO4 B 229s coo 56.39 -25.68 -36.91 53.88 -25.46 -38.13 3.42 16.10 108.71 2.04 17.62 106.85 coo 59.54 -19.27 -32.99 57.70 -19.44 -33.97 -4.32 17.92 112.37 -3.28 16.49 113.53 coo 53.35 -22.70 -45.35 52.95 -24.81 -43.16 2.04 21.87 100.04 0.47 20.79 102.47 ULMN 3 1qgn_c22 CYSTATHIONINE GAMMA-SYNTHASE user 7 3 # 7 E 163 TYR B 197 TYR^? 27.50 O1 SO4 B 229 E 236 ASP B 196 ASP^? 21.51 O1 SO4 B 229 G 110 ARG B 204 ARG^? 28.80 O1 SO4 B 229 coo 56.39 -25.68 -36.91 53.88 -25.46 -38.13 17.53 10.39 88.21 19.44 8.55 89.12 coo 59.54 -19.27 -32.99 57.70 -19.44 -33.97 12.23 15.64 88.97 13.40 17.43 88.99 coo 53.35 -22.70 -45.35 52.95 -24.81 -43.16 22.06 9.76 97.61 23.97 10.05 95.18 1qgn_c22 source 1qgn CYSTATHIONINE GAMMA-SYNTHASE : 7 hits 1qgn_c22 naa= 3 ULMN 3 1qgn_c23 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 # 1 F 163 TYR A 93 TYR^? 6.38 O2 SO4 A 229 F 236 ASP A 120 ASP^? 7.17 O2 SO4 A 229 H 110 ARG A 54 ARG^? -2.64 O2 SO4 A 229s coo 14.88 -1.19 -65.80 16.37 -3.30 -64.72 1.20 45.36 98.99 3.01 43.25 98.50 coo 18.75 5.49 -68.65 19.58 3.75 -67.80 9.29 47.78 99.49 7.80 47.36 98.01 coo 18.56 -3.01 -57.11 17.14 -4.14 -59.58 5.30 36.31 96.12 6.03 38.74 97.87 ULMN 3 1qgn_c23 CYSTATHIONINE GAMMA-SYNTHASE user 2 3 # 2 F 163 TYR B 27 TYR^? 6.20 O3 SO4 B 229 F 236 ASP B 120 ASP^? 8.68 O3 SO4 B 229 H 110 ARG B 25 ARG^? 18.98 O3 SO4 B 229 coo 14.88 -1.19 -65.80 16.37 -3.30 -64.72 3.82 22.31 109.84 1.63 20.66 109.20 coo 18.75 5.49 -68.65 19.58 3.75 -67.80 -4.32 17.92 112.37 -3.28 16.49 113.53 coo 18.56 -3.01 -57.11 17.14 -4.14 -59.58 7.91 26.52 118.07 7.56 27.20 121.14 ULMN 3 1qgn_c23 CYSTATHIONINE GAMMA-SYNTHASE user 3 3 # 3 F 163 TYR B 27 TYR^? 6.20 O3 SO4 B 229 F 236 ASP B 120 ASP^? 8.68 O3 SO4 B 229 H 110 ARG B 54 ARG^? -2.73 O1 SO4 B 229s coo 14.88 -1.19 -65.80 16.37 -3.30 -64.72 3.82 22.31 109.84 1.63 20.66 109.20 coo 18.75 5.49 -68.65 19.58 3.75 -67.80 -4.32 17.92 112.37 -3.28 16.49 113.53 coo 18.56 -3.01 -57.11 17.14 -4.14 -59.58 2.04 21.87 100.04 0.47 20.79 102.47 ULMN 3 1qgn_c23 CYSTATHIONINE GAMMA-SYNTHASE user 4 3 # 4 F 163 TYR B 63 TYR^? 12.59 O4 SO4 B 229 F 236 ASP B 64 ASP^? 18.27 O3 SO4 A 231 H 110 ARG B 54 ARG^? -2.73 O1 SO4 B 229s coo 14.88 -1.19 -65.80 16.37 -3.30 -64.72 6.08 23.92 93.84 4.01 25.72 94.40 coo 18.75 5.49 -68.65 19.58 3.75 -67.80 12.23 21.46 92.76 12.58 23.03 91.40 coo 18.56 -3.01 -57.11 17.14 -4.14 -59.58 2.04 21.87 100.04 0.47 20.79 102.47 ULMN 3 1qgn_c23 CYSTATHIONINE GAMMA-SYNTHASE user 5 3 # 5 F 163 TYR B 76 TYR^? 10.65 O1 SO4 B 229 F 236 ASP B 52 ASP^? 8.63 O2 SO4 B 229 H 110 ARG B 70 ARG^? 17.55 O1 SO4 B 229 coo 14.88 -1.19 -65.80 16.37 -3.30 -64.72 -1.19 11.89 95.80 -2.29 13.70 97.62 coo 18.75 5.49 -68.65 19.58 3.75 -67.80 -5.20 17.74 96.96 -6.16 15.91 97.49 coo 18.56 -3.01 -57.11 17.14 -4.14 -59.58 4.92 7.16 103.42 6.42 4.45 103.73 ULMN 3 1qgn_c23 CYSTATHIONINE GAMMA-SYNTHASE user 6 3 # 6 F 163 TYR B 93 TYR^? -6.26 O1 SO4 B 229s F 236 ASP B 120 ASP^? 8.68 O3 SO4 B 229 H 110 ARG B 54 ARG^? -2.73 O1 SO4 B 229s coo 14.88 -1.19 -65.80 16.37 -3.30 -64.72 3.42 16.10 108.71 2.04 17.62 106.85 coo 18.75 5.49 -68.65 19.58 3.75 -67.80 -4.32 17.92 112.37 -3.28 16.49 113.53 coo 18.56 -3.01 -57.11 17.14 -4.14 -59.58 2.04 21.87 100.04 0.47 20.79 102.47 ULMN 3 1qgn_c23 CYSTATHIONINE GAMMA-SYNTHASE user 7 3 # 7 F 163 TYR B 197 TYR^? 27.50 O1 SO4 B 229 F 236 ASP B 196 ASP^? 21.51 O1 SO4 B 229 H 110 ARG B 204 ARG^? 28.80 O1 SO4 B 229 coo 14.88 -1.19 -65.80 16.37 -3.30 -64.72 17.53 10.39 88.21 19.44 8.55 89.12 coo 18.75 5.49 -68.65 19.58 3.75 -67.80 12.23 15.64 88.97 13.40 17.43 88.99 coo 18.56 -3.01 -57.11 17.14 -4.14 -59.58 22.06 9.76 97.61 23.97 10.05 95.18 1qgn_c23 source 1qgn CYSTATHIONINE GAMMA-SYNTHASE : 7 hits 1qgn_c23 naa= 3 ULMN 3 1qgx_c02 3',5'-ADENOSINE BISPHOSPHATASE user 1 3 # 1 A 49 ASP A 120 ASP^? 7.17 O2 SO4 A 229 A 147 THR A 186 THR^? 13.38 O4 SO4 A 229 A 294 ASP A 179 ASP^? 20.51 O2 SO4 A 229 coo 1.13 15.67 -24.51 2.35 14.34 -25.71 9.29 47.78 99.49 7.80 47.36 98.01 coo 6.09 11.55 -27.32 4.75 13.20 -27.33 1.54 50.72 99.84 1.17 52.62 100.74 coo 14.48 16.57 -21.30 13.03 16.83 -22.81 9.62 60.80 96.72 10.25 60.11 94.85 1qgx_c02 source 1qgx 3',5'-ADENOSINE BISPHOSPHATASE : 1 hits 1qgx_c02 naa= 3 ULMN 3 1qho_c04 ALPHA-AMYLASE user 1 3 # 1 A 228 ASP A 133 ASP^? 29.47 O1 SO4 A 229 A 256 GLU A 135 GLU^? 26.04 O1 SO4 A 229 A 329 ASP A 154 ASP^? 25.59 O1 SO4 A 229 coo 28.46 69.88 26.74 30.40 70.70 26.53 28.68 60.10 102.11 30.08 60.54 100.57 coo 30.54 71.65 32.58 31.73 72.26 30.92 28.90 53.95 105.73 29.85 54.07 107.68 coo 37.87 70.12 31.80 36.61 69.74 30.15 22.41 56.72 112.09 24.50 56.74 112.55 1qho_c04 source 1qho ALPHA-AMYLASE : 1 hits 1qho_c04 naa= 3 ULMN 3 1qho_c05 ALPHA-AMYLASE user 1 3 # 1 A 228 ASP A 2 ASP~? 14.67 O2 SO4 A 230 A 261 ASP A 64 ASP^? 16.48 O4 SO4 A 231 A 329 ASP A 39 ASP^? 5.87 O2 SO4 A 230 coo 28.46 69.88 26.74 30.40 70.70 26.53 -20.15 34.72 83.71 -22.03 35.03 82.80 coo 34.02 79.89 42.60 34.73 78.01 41.86 -0.89 32.13 86.35 -1.06 30.06 86.04 coo 37.87 70.12 31.80 36.61 69.74 30.15 -16.67 33.15 92.05 -17.20 32.80 93.99 ULMN 3 1qho_c05 ALPHA-AMYLASE user 2 3 # 2 A 228 ASP A 11 ASP.? 21.96 O2 SO4 A 231 A 261 ASP A 39 ASP^? 5.87 O2 SO4 A 230 A 329 ASP A 64 ASP^? 16.48 O4 SO4 A 231 coo 28.46 69.88 26.74 30.40 70.70 26.53 -4.20 26.29 77.28 -4.78 26.04 75.24 coo 34.02 79.89 42.60 34.73 78.01 41.86 -16.67 33.15 92.05 -17.20 32.80 93.99 coo 37.87 70.12 31.80 36.61 69.74 30.15 -0.89 32.13 86.35 -1.06 30.06 86.04 ULMN 3 1qho_c05 ALPHA-AMYLASE user 3 3 # 3 A 228 ASP A 115 ASP^? 8.58 O1 SO4 A 229 A 261 ASP A 179 ASP^? 20.51 O2 SO4 A 229 A 329 ASP A 120 ASP^? 7.17 O2 SO4 A 229 coo 28.46 69.88 26.74 30.40 70.70 26.53 15.77 43.56 105.82 15.72 41.47 106.14 coo 34.02 79.89 42.60 34.73 78.01 41.86 9.62 60.80 96.72 10.25 60.11 94.85 coo 37.87 70.12 31.80 36.61 69.74 30.15 9.29 47.78 99.49 7.80 47.36 98.01 ULMN 3 1qho_c05 ALPHA-AMYLASE user 4 3 # 4 A 228 ASP A 120 ASP^? 7.17 O2 SO4 A 229 A 261 ASP A 154 ASP^? 25.59 O1 SO4 A 229 A 329 ASP A 115 ASP^? 8.58 O1 SO4 A 229 coo 28.46 69.88 26.74 30.40 70.70 26.53 9.29 47.78 99.49 7.80 47.36 98.01 coo 34.02 79.89 42.60 34.73 78.01 41.86 22.41 56.72 112.09 24.50 56.74 112.55 coo 37.87 70.12 31.80 36.61 69.74 30.15 15.77 43.56 105.82 15.72 41.47 106.14 ULMN 3 1qho_c05 ALPHA-AMYLASE user 5 3 # 5 A 228 ASP A 120 ASP^? 7.17 O2 SO4 A 229 A 261 ASP A 154 ASP^? 25.59 O1 SO4 A 229 A 329 ASP A 126 ASP^? 16.24 O1 SO4 A 229 coo 28.46 69.88 26.74 30.40 70.70 26.53 9.29 47.78 99.49 7.80 47.36 98.01 coo 34.02 79.89 42.60 34.73 78.01 41.86 22.41 56.72 112.09 24.50 56.74 112.55 coo 37.87 70.12 31.80 36.61 69.74 30.15 18.12 53.54 96.53 19.31 51.77 96.80 ULMN 3 1qho_c05 ALPHA-AMYLASE user 6 3 # 6 A 228 ASP A 131 ASP^? 27.86 O1 SO4 A 231 A 261 ASP A 154 ASP^? 25.59 O1 SO4 A 229 A 329 ASP A 126 ASP^? 16.24 O1 SO4 A 229 coo 28.46 69.88 26.74 30.40 70.70 26.53 23.62 62.30 95.31 25.14 61.71 93.92 coo 34.02 79.89 42.60 34.73 78.01 41.86 22.41 56.72 112.09 24.50 56.74 112.55 coo 37.87 70.12 31.80 36.61 69.74 30.15 18.12 53.54 96.53 19.31 51.77 96.80 ULMN 3 1qho_c05 ALPHA-AMYLASE user 7 3 # 7 A 228 ASP A 133 ASP^? 29.47 O1 SO4 A 229 A 261 ASP A 115 ASP^? 8.58 O1 SO4 A 229 A 329 ASP A 154 ASP^? 25.59 O1 SO4 A 229 coo 28.46 69.88 26.74 30.40 70.70 26.53 28.68 60.10 102.11 30.08 60.54 100.57 coo 34.02 79.89 42.60 34.73 78.01 41.86 15.77 43.56 105.82 15.72 41.47 106.14 coo 37.87 70.12 31.80 36.61 69.74 30.15 22.41 56.72 112.09 24.50 56.74 112.55 ULMN 3 1qho_c05 ALPHA-AMYLASE user 8 3 # 8 A 228 ASP A 133 ASP^? 29.47 O1 SO4 A 229 A 261 ASP A 138 ASP^? 13.32 O1 SO4 A 229 A 329 ASP A 154 ASP^? 25.59 O1 SO4 A 229 coo 28.46 69.88 26.74 30.40 70.70 26.53 28.68 60.10 102.11 30.08 60.54 100.57 coo 34.02 79.89 42.60 34.73 78.01 41.86 23.15 43.17 105.53 21.70 41.96 104.55 coo 37.87 70.12 31.80 36.61 69.74 30.15 22.41 56.72 112.09 24.50 56.74 112.55 ULMN 3 1qho_c05 ALPHA-AMYLASE user 9 3 # 9 A 228 ASP A 133 ASP^? 29.47 O1 SO4 A 229 A 261 ASP A 179 ASP^? 20.51 O2 SO4 A 229 A 329 ASP A 131 ASP^? 27.86 O1 SO4 A 231 coo 28.46 69.88 26.74 30.40 70.70 26.53 28.68 60.10 102.11 30.08 60.54 100.57 coo 34.02 79.89 42.60 34.73 78.01 41.86 9.62 60.80 96.72 10.25 60.11 94.85 coo 37.87 70.12 31.80 36.61 69.74 30.15 23.62 62.30 95.31 25.14 61.71 93.92 ULMN 3 1qho_c05 ALPHA-AMYLASE user 10 3 # 10 A 228 ASP A 179 ASP^? 20.51 O2 SO4 A 229 A 261 ASP A 115 ASP^? 8.58 O1 SO4 A 229 A 329 ASP A 126 ASP^? 16.24 O1 SO4 A 229 coo 28.46 69.88 26.74 30.40 70.70 26.53 9.62 60.80 96.72 10.25 60.11 94.85 coo 34.02 79.89 42.60 34.73 78.01 41.86 15.77 43.56 105.82 15.72 41.47 106.14 coo 37.87 70.12 31.80 36.61 69.74 30.15 18.12 53.54 96.53 19.31 51.77 96.80 ULMN 3 1qho_c05 ALPHA-AMYLASE user 11 3 # 11 A 228 ASP A 179 ASP^? 20.51 O2 SO4 A 229 A 261 ASP A 133 ASP^? 29.47 O1 SO4 A 229 A 329 ASP A 126 ASP^? 16.24 O1 SO4 A 229 coo 28.46 69.88 26.74 30.40 70.70 26.53 9.62 60.80 96.72 10.25 60.11 94.85 coo 34.02 79.89 42.60 34.73 78.01 41.86 28.68 60.10 102.11 30.08 60.54 100.57 coo 37.87 70.12 31.80 36.61 69.74 30.15 18.12 53.54 96.53 19.31 51.77 96.80 ULMN 3 1qho_c05 ALPHA-AMYLASE user 12 3 # 12 A 228 ASP A 179 ASP^? 20.51 O2 SO4 A 229 A 261 ASP A 154 ASP^? 25.59 O1 SO4 A 229 A 329 ASP A 126 ASP^? 16.24 O1 SO4 A 229 coo 28.46 69.88 26.74 30.40 70.70 26.53 9.62 60.80 96.72 10.25 60.11 94.85 coo 34.02 79.89 42.60 34.73 78.01 41.86 22.41 56.72 112.09 24.50 56.74 112.55 coo 37.87 70.12 31.80 36.61 69.74 30.15 18.12 53.54 96.53 19.31 51.77 96.80 ULMN 3 1qho_c05 ALPHA-AMYLASE user 13 3 # 13 A 228 ASP A 208 ASP^? 7.66 O1 SO4 A 230 A 261 ASP A 64 ASP^? 16.48 O4 SO4 A 231 A 329 ASP A 39 ASP^? 5.87 O2 SO4 A 230 coo 28.46 69.88 26.74 30.40 70.70 26.53 -15.69 43.98 89.75 -16.79 45.74 90.29 coo 34.02 79.89 42.60 34.73 78.01 41.86 -0.89 32.13 86.35 -1.06 30.06 86.04 coo 37.87 70.12 31.80 36.61 69.74 30.15 -16.67 33.15 92.05 -17.20 32.80 93.99 ULMN 3 1qho_c05 ALPHA-AMYLASE user 14 3 # 14 A 228 ASP B 115 ASP^? 13.85 O3 SO4 B 229 A 261 ASP B 52 ASP^? 8.63 O2 SO4 B 229 A 329 ASP B 120 ASP^? 8.68 O3 SO4 B 229 coo 28.46 69.88 26.74 30.40 70.70 26.53 -12.10 21.41 116.25 -11.91 23.51 116.16 coo 34.02 79.89 42.60 34.73 78.01 41.86 -5.20 17.74 96.96 -6.16 15.91 97.49 coo 37.87 70.12 31.80 36.61 69.74 30.15 -4.32 17.92 112.37 -3.28 16.49 113.53 ULMN 3 1qho_c05 ALPHA-AMYLASE user 15 3 # 15 A 228 ASP B 115 ASP^? 13.85 O3 SO4 B 229 A 261 ASP B 179 ASP^? 19.53 O1 SO4 B 229 A 329 ASP B 120 ASP^? 8.68 O3 SO4 B 229 coo 28.46 69.88 26.74 30.40 70.70 26.53 -12.10 21.41 116.25 -11.91 23.51 116.16 coo 34.02 79.89 42.60 34.73 78.01 41.86 -5.05 2.01 112.29 -5.62 2.01 110.23 coo 37.87 70.12 31.80 36.61 69.74 30.15 -4.32 17.92 112.37 -3.28 16.49 113.53 ULMN 3 1qho_c05 ALPHA-AMYLASE user 16 3 # 16 A 228 ASP B 120 ASP^? 8.68 O3 SO4 B 229 A 261 ASP B 154 ASP^? 28.34 O3 SO4 B 229 A 329 ASP B 115 ASP^? 13.85 O3 SO4 B 229 coo 28.46 69.88 26.74 30.40 70.70 26.53 -4.32 17.92 112.37 -3.28 16.49 113.53 coo 34.02 79.89 42.60 34.73 78.01 41.86 -19.38 9.09 123.27 -21.52 8.99 123.42 coo 37.87 70.12 31.80 36.61 69.74 30.15 -12.10 21.41 116.25 -11.91 23.51 116.16 ULMN 3 1qho_c05 ALPHA-AMYLASE user 17 3 # 17 A 228 ASP B 120 ASP^? 8.68 O3 SO4 B 229 A 261 ASP B 154 ASP^? 28.34 O3 SO4 B 229 A 329 ASP B 126 ASP^? 13.57 O2 SO4 B 229 coo 28.46 69.88 26.74 30.40 70.70 26.53 -4.32 17.92 112.37 -3.28 16.49 113.53 coo 34.02 79.89 42.60 34.73 78.01 41.86 -19.38 9.09 123.27 -21.52 8.99 123.42 coo 37.87 70.12 31.80 36.61 69.74 30.15 -11.35 10.60 108.40 -13.06 11.59 107.65 ULMN 3 1qho_c05 ALPHA-AMYLASE user 18 3 # 18 A 228 ASP B 120 ASP^? 8.68 O3 SO4 B 229 A 261 ASP B 178 ASP^? 25.38 O3 SO4 B 229 A 329 ASP B 126 ASP^? 13.57 O2 SO4 B 229 coo 28.46 69.88 26.74 30.40 70.70 26.53 -4.32 17.92 112.37 -3.28 16.49 113.53 coo 34.02 79.89 42.60 34.73 78.01 41.86 -4.63 -0.65 116.57 -5.43 -2.30 115.50 coo 37.87 70.12 31.80 36.61 69.74 30.15 -11.35 10.60 108.40 -13.06 11.59 107.65 ULMN 3 1qho_c05 ALPHA-AMYLASE user 19 3 # 19 A 228 ASP B 179 ASP^? 19.53 O1 SO4 B 229 A 261 ASP B 115 ASP^? 13.85 O3 SO4 B 229 A 329 ASP B 126 ASP^? 13.57 O2 SO4 B 229 coo 28.46 69.88 26.74 30.40 70.70 26.53 -5.05 2.01 112.29 -5.62 2.01 110.23 coo 34.02 79.89 42.60 34.73 78.01 41.86 -12.10 21.41 116.25 -11.91 23.51 116.16 coo 37.87 70.12 31.80 36.61 69.74 30.15 -11.35 10.60 108.40 -13.06 11.59 107.65 ULMN 3 1qho_c05 ALPHA-AMYLASE user 20 3 # 20 A 228 ASP B 179 ASP^? 19.53 O1 SO4 B 229 A 261 ASP B 133 ASP^? 27.29 O2 SO4 B 229 A 329 ASP B 126 ASP^? 13.57 O2 SO4 B 229 coo 28.46 69.88 26.74 30.40 70.70 26.53 -5.05 2.01 112.29 -5.62 2.01 110.23 coo 34.02 79.89 42.60 34.73 78.01 41.86 -23.29 4.86 111.47 -25.08 5.81 112.13 coo 37.87 70.12 31.80 36.61 69.74 30.15 -11.35 10.60 108.40 -13.06 11.59 107.65 ULMN 3 1qho_c05 ALPHA-AMYLASE user 21 3 # 21 A 228 ASP B 179 ASP^? 19.53 O1 SO4 B 229 A 261 ASP B 154 ASP^? 28.34 O3 SO4 B 229 A 329 ASP B 126 ASP^? 13.57 O2 SO4 B 229 coo 28.46 69.88 26.74 30.40 70.70 26.53 -5.05 2.01 112.29 -5.62 2.01 110.23 coo 34.02 79.89 42.60 34.73 78.01 41.86 -19.38 9.09 123.27 -21.52 8.99 123.42 coo 37.87 70.12 31.80 36.61 69.74 30.15 -11.35 10.60 108.40 -13.06 11.59 107.65 ULMN 3 1qho_c05 ALPHA-AMYLASE user 22 3 # 22 A 228 ASP B 208 ASP^? 25.58 O1 SO4 B 229 A 261 ASP B 64 ASP^? 18.27 O3 SO4 A 231 A 329 ASP B 39 ASP^? 20.66 O1 SO4 A 229 coo 28.46 69.88 26.74 30.40 70.70 26.53 22.68 13.69 106.98 23.40 15.21 108.39 coo 34.02 79.89 42.60 34.73 78.01 41.86 12.23 21.46 92.76 12.58 23.03 91.40 coo 37.87 70.12 31.80 36.61 69.74 30.15 23.84 25.31 104.29 24.42 26.93 105.50 1qho_c05 source 1qho ALPHA-AMYLASE : 22 hits 1qho_c05 naa= 3 ULMN 3 1qho_c07 ALPHA-AMYLASE user 1 3 # 1 A 228 ASP A 52 ASP^? 8.69 O1 SO4 A 229 A 260 ASP A 126 ASP^? 16.24 O1 SO4 A 229 A 329 ASP A 115 ASP^? 8.58 O1 SO4 A 229 coo 28.46 69.88 26.74 30.40 70.70 26.53 13.74 39.26 94.65 14.56 41.23 94.45 coo 30.73 81.29 37.61 31.23 82.07 35.69 18.12 53.54 96.53 19.31 51.77 96.80 coo 37.87 70.12 31.80 36.61 69.74 30.15 15.77 43.56 105.82 15.72 41.47 106.14 ULMN 3 1qho_c07 ALPHA-AMYLASE user 2 3 # 2 A 228 ASP A 52 ASP^? 8.69 O1 SO4 A 229 A 260 ASP A 138 ASP^? 13.32 O1 SO4 A 229 A 329 ASP A 120 ASP^? 7.17 O2 SO4 A 229 coo 28.46 69.88 26.74 30.40 70.70 26.53 13.74 39.26 94.65 14.56 41.23 94.45 coo 30.73 81.29 37.61 31.23 82.07 35.69 23.15 43.17 105.53 21.70 41.96 104.55 coo 37.87 70.12 31.80 36.61 69.74 30.15 9.29 47.78 99.49 7.80 47.36 98.01 ULMN 3 1qho_c07 ALPHA-AMYLASE user 3 3 # 3 A 228 ASP A 120 ASP^? 7.17 O2 SO4 A 229 A 260 ASP A 138 ASP^? 13.32 O1 SO4 A 229 A 329 ASP A 52 ASP^? 8.69 O1 SO4 A 229 coo 28.46 69.88 26.74 30.40 70.70 26.53 9.29 47.78 99.49 7.80 47.36 98.01 coo 30.73 81.29 37.61 31.23 82.07 35.69 23.15 43.17 105.53 21.70 41.96 104.55 coo 37.87 70.12 31.80 36.61 69.74 30.15 13.74 39.26 94.65 14.56 41.23 94.45 ULMN 3 1qho_c07 ALPHA-AMYLASE user 4 3 # 4 A 228 ASP A 120 ASP^? 7.17 O2 SO4 A 229 A 260 ASP A 138 ASP^? 13.32 O1 SO4 A 229 A 329 ASP A 126 ASP^? 16.24 O1 SO4 A 229 coo 28.46 69.88 26.74 30.40 70.70 26.53 9.29 47.78 99.49 7.80 47.36 98.01 coo 30.73 81.29 37.61 31.23 82.07 35.69 23.15 43.17 105.53 21.70 41.96 104.55 coo 37.87 70.12 31.80 36.61 69.74 30.15 18.12 53.54 96.53 19.31 51.77 96.80 ULMN 3 1qho_c07 ALPHA-AMYLASE user 5 3 # 5 A 228 ASP A 120 ASP^? 7.17 O2 SO4 A 229 A 260 ASP A 178 ASP^? 26.16 O4 SO4 A 229 A 329 ASP A 126 ASP^? 16.24 O1 SO4 A 229 coo 28.46 69.88 26.74 30.40 70.70 26.53 9.29 47.78 99.49 7.80 47.36 98.01 coo 30.73 81.29 37.61 31.23 82.07 35.69 7.84 65.02 98.85 7.73 66.72 100.09 coo 37.87 70.12 31.80 36.61 69.74 30.15 18.12 53.54 96.53 19.31 51.77 96.80 ULMN 3 1qho_c07 ALPHA-AMYLASE user 6 3 # 6 A 228 ASP A 126 ASP^? 16.24 O1 SO4 A 229 A 260 ASP A 138 ASP^? 13.32 O1 SO4 A 229 A 329 ASP A 120 ASP^? 7.17 O2 SO4 A 229 coo 28.46 69.88 26.74 30.40 70.70 26.53 18.12 53.54 96.53 19.31 51.77 96.80 coo 30.73 81.29 37.61 31.23 82.07 35.69 23.15 43.17 105.53 21.70 41.96 104.55 coo 37.87 70.12 31.80 36.61 69.74 30.15 9.29 47.78 99.49 7.80 47.36 98.01 ULMN 3 1qho_c07 ALPHA-AMYLASE user 7 3 # 7 A 228 ASP A 126 ASP^? 16.24 O1 SO4 A 229 A 260 ASP A 178 ASP^? 26.16 O4 SO4 A 229 A 329 ASP A 131 ASP^? 27.86 O1 SO4 A 231 coo 28.46 69.88 26.74 30.40 70.70 26.53 18.12 53.54 96.53 19.31 51.77 96.80 coo 30.73 81.29 37.61 31.23 82.07 35.69 7.84 65.02 98.85 7.73 66.72 100.09 coo 37.87 70.12 31.80 36.61 69.74 30.15 23.62 62.30 95.31 25.14 61.71 93.92 ULMN 3 1qho_c07 ALPHA-AMYLASE user 8 3 # 8 A 228 ASP A 131 ASP^? 27.86 O1 SO4 A 231 A 260 ASP A 154 ASP^? 25.59 O1 SO4 A 229 A 329 ASP A 126 ASP^? 16.24 O1 SO4 A 229 coo 28.46 69.88 26.74 30.40 70.70 26.53 23.62 62.30 95.31 25.14 61.71 93.92 coo 30.73 81.29 37.61 31.23 82.07 35.69 22.41 56.72 112.09 24.50 56.74 112.55 coo 37.87 70.12 31.80 36.61 69.74 30.15 18.12 53.54 96.53 19.31 51.77 96.80 ULMN 3 1qho_c07 ALPHA-AMYLASE user 9 3 # 9 A 228 ASP A 131 ASP^? 27.86 O1 SO4 A 231 A 260 ASP A 178 ASP^? 26.16 O4 SO4 A 229 A 329 ASP A 126 ASP^? 16.24 O1 SO4 A 229 coo 28.46 69.88 26.74 30.40 70.70 26.53 23.62 62.30 95.31 25.14 61.71 93.92 coo 30.73 81.29 37.61 31.23 82.07 35.69 7.84 65.02 98.85 7.73 66.72 100.09 coo 37.87 70.12 31.80 36.61 69.74 30.15 18.12 53.54 96.53 19.31 51.77 96.80 ULMN 3 1qho_c07 ALPHA-AMYLASE user 10 3 # 10 A 228 ASP A 154 ASP^? 25.59 O1 SO4 A 229 A 260 ASP A 126 ASP^? 16.24 O1 SO4 A 229 A 329 ASP A 133 ASP^? 29.47 O1 SO4 A 229 coo 28.46 69.88 26.74 30.40 70.70 26.53 22.41 56.72 112.09 24.50 56.74 112.55 coo 30.73 81.29 37.61 31.23 82.07 35.69 18.12 53.54 96.53 19.31 51.77 96.80 coo 37.87 70.12 31.80 36.61 69.74 30.15 28.68 60.10 102.11 30.08 60.54 100.57 ULMN 3 1qho_c07 ALPHA-AMYLASE user 11 3 # 11 A 228 ASP B 120 ASP^? 8.68 O3 SO4 B 229 A 260 ASP B 52 ASP^? 8.63 O2 SO4 B 229 A 329 ASP B 126 ASP^? 13.57 O2 SO4 B 229 coo 28.46 69.88 26.74 30.40 70.70 26.53 -4.32 17.92 112.37 -3.28 16.49 113.53 coo 30.73 81.29 37.61 31.23 82.07 35.69 -5.20 17.74 96.96 -6.16 15.91 97.49 coo 37.87 70.12 31.80 36.61 69.74 30.15 -11.35 10.60 108.40 -13.06 11.59 107.65 ULMN 3 1qho_c07 ALPHA-AMYLASE user 12 3 # 12 A 228 ASP B 120 ASP^? 8.68 O3 SO4 B 229 A 260 ASP B 138 ASP^? 17.24 O3 SO4 B 229 A 329 ASP B 126 ASP^? 13.57 O2 SO4 B 229 coo 28.46 69.88 26.74 30.40 70.70 26.53 -4.32 17.92 112.37 -3.28 16.49 113.53 coo 30.73 81.29 37.61 31.23 82.07 35.69 -19.34 21.74 114.74 -17.84 23.07 113.94 coo 37.87 70.12 31.80 36.61 69.74 30.15 -11.35 10.60 108.40 -13.06 11.59 107.65 ULMN 3 1qho_c07 ALPHA-AMYLASE user 13 3 # 13 A 228 ASP B 126 ASP^? 13.57 O2 SO4 B 229 A 260 ASP B 52 ASP^? 8.63 O2 SO4 B 229 A 329 ASP B 120 ASP^? 8.68 O3 SO4 B 229 coo 28.46 69.88 26.74 30.40 70.70 26.53 -11.35 10.60 108.40 -13.06 11.59 107.65 coo 30.73 81.29 37.61 31.23 82.07 35.69 -5.20 17.74 96.96 -6.16 15.91 97.49 coo 37.87 70.12 31.80 36.61 69.74 30.15 -4.32 17.92 112.37 -3.28 16.49 113.53 ULMN 3 1qho_c07 ALPHA-AMYLASE user 14 3 # 14 A 228 ASP B 126 ASP^? 13.57 O2 SO4 B 229 A 260 ASP B 138 ASP^? 17.24 O3 SO4 B 229 A 329 ASP B 120 ASP^? 8.68 O3 SO4 B 229 coo 28.46 69.88 26.74 30.40 70.70 26.53 -11.35 10.60 108.40 -13.06 11.59 107.65 coo 30.73 81.29 37.61 31.23 82.07 35.69 -19.34 21.74 114.74 -17.84 23.07 113.94 coo 37.87 70.12 31.80 36.61 69.74 30.15 -4.32 17.92 112.37 -3.28 16.49 113.53 1qho_c07 source 1qho ALPHA-AMYLASE : 14 hits 1qho_c07 naa= 3 ULMN 3 1qol_c00 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 # 1 A 51 ALA A 214 ALA^? 7.16 O1 SO4 A 230 A 148 HIS A 210 HIS^? 9.95 O1 SO4 A 230 A 163 ASP A 208 ASP^? 7.66 O1 SO4 A 230 coo 1.42 19.18 21.84 1.11 19.57 23.28 -14.84 46.79 99.08 -16.31 46.97 98.48 coo 0.71 19.67 27.92 2.43 19.16 26.83 -16.02 49.92 93.97 -17.27 50.59 95.51 coo 7.15 16.22 27.50 6.15 18.00 27.94 -15.69 43.98 89.75 -16.79 45.74 90.29 1qol_c00 source 1qol PROTEASE (NONSTRUCTURAL PROTEIN P20A) : 1 hits 1qol_c00 naa= 3 ULMN 3 1qol_c01 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 # 1 B 51 ALA A 214 ALA^? 7.16 O1 SO4 A 230 B 148 HIS A 210 HIS^? 9.95 O1 SO4 A 230 B 163 ASP A 208 ASP^? 7.66 O1 SO4 A 230 coo -33.97 19.78 54.18 -33.40 20.11 52.82 -14.84 46.79 99.08 -16.31 46.97 98.48 coo -33.17 20.01 48.16 -34.95 19.37 49.06 -16.02 49.92 93.97 -17.27 50.59 95.51 coo -39.82 16.62 48.85 -38.59 18.24 48.48 -15.69 43.98 89.75 -16.79 45.74 90.29 1qol_c01 source 1qol PROTEASE (NONSTRUCTURAL PROTEIN P20A) : 1 hits 1qol_c01 naa= 3 ULMN 3 1qol_c02 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 # 1 C 51 ALA A 214 ALA^? 7.16 O1 SO4 A 230 C 148 HIS A 210 HIS^? 9.95 O1 SO4 A 230 C 163 ASP A 208 ASP^? 7.66 O1 SO4 A 230 coo -26.36 -19.12 21.15 -25.71 -19.49 22.47 -14.84 46.79 99.08 -16.31 46.97 98.48 coo -25.01 -20.21 26.78 -26.91 -20.55 25.93 -16.02 49.92 93.97 -17.27 50.59 95.51 coo -32.17 -20.34 27.36 -30.15 -20.93 27.54 -15.69 43.98 89.75 -16.79 45.74 90.29 1qol_c02 source 1qol PROTEASE (NONSTRUCTURAL PROTEIN P20A) : 1 hits 1qol_c02 naa= 3 ULMN 3 1qol_c03 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 # 1 D 51 ALA A 214 ALA^? 7.16 O1 SO4 A 230 D 148 HIS A 210 HIS^? 9.95 O1 SO4 A 230 D 163 ASP A 208 ASP^? 7.66 O1 SO4 A 230 coo -6.15 -19.18 55.49 -6.70 -19.60 54.15 -14.84 46.79 99.08 -16.31 46.97 98.48 coo -7.62 -20.32 49.70 -5.89 -20.86 50.74 -16.02 49.92 93.97 -17.27 50.59 95.51 coo -0.41 -20.05 49.27 -2.21 -21.16 49.24 -15.69 43.98 89.75 -16.79 45.74 90.29 1qol_c03 source 1qol PROTEASE (NONSTRUCTURAL PROTEIN P20A) : 1 hits 1qol_c03 naa= 3 ULMN 3 1qol_c04 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 # 1 E 51 ALA A 214 ALA^? 7.16 O1 SO4 A 230 E 148 HIS A 210 HIS^? 9.95 O1 SO4 A 230 E 163 ASP A 208 ASP^? 7.66 O1 SO4 A 230 coo 5.48 -16.06 -47.92 6.03 -15.45 -46.65 -14.84 46.79 99.08 -16.31 46.97 98.48 coo 5.81 -16.05 -42.05 5.54 -17.84 -43.11 -16.02 49.92 93.97 -17.27 50.59 95.51 coo 2.75 -22.21 -43.08 4.67 -21.31 -42.96 -15.69 43.98 89.75 -16.79 45.74 90.29 1qol_c04 source 1qol PROTEASE (NONSTRUCTURAL PROTEIN P20A) : 1 hits 1qol_c04 naa= 3 ULMN 3 1qol_c05 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 # 1 F 51 ALA A 214 ALA^? 7.16 O1 SO4 A 230 F 148 HIS A 210 HIS^? 9.95 O1 SO4 A 230 F 163 ASP A 208 ASP^? 7.66 O1 SO4 A 230 coo 5.33 15.59 -14.28 5.80 15.15 -15.64 -14.84 46.79 99.08 -16.31 46.97 98.48 coo 5.79 15.50 -20.13 5.50 17.28 -19.05 -16.02 49.92 93.97 -17.27 50.59 95.51 coo 2.42 22.00 -18.97 4.23 20.92 -19.18 -15.69 43.98 89.75 -16.79 45.74 90.29 1qol_c05 source 1qol PROTEASE (NONSTRUCTURAL PROTEIN P20A) : 1 hits 1qol_c05 naa= 3 ULMN 3 1qol_c06 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 # 1 G 51 ALA A 214 ALA^? 7.16 O1 SO4 A 230 G 148 HIS A 210 HIS^? 9.95 O1 SO4 A 230 G 163 ASP A 208 ASP^? 7.66 O1 SO4 A 230 coo -33.28 -11.88 -14.46 -33.66 -11.38 -15.87 -14.84 46.79 99.08 -16.31 46.97 98.48 coo -34.88 -9.77 -20.15 -35.41 -11.60 -19.26 -16.02 49.92 93.97 -17.27 50.59 95.51 coo -34.41 -16.73 -21.11 -35.66 -15.03 -20.96 -15.69 43.98 89.75 -16.79 45.74 90.29 ULMN 3 1qol_c06 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 2 3 # 2 G 51 ALA B 185 ALA^? 10.94 O1 SO4 B 229 G 148 HIS B 97 HIS^? 12.49 O3 SO4 B 229 G 163 ASP B 120 ASP^? 8.68 O3 SO4 B 229 coo -33.28 -11.88 -14.46 -33.66 -11.38 -15.87 0.02 10.85 109.56 -1.39 10.88 110.17 coo -34.88 -9.77 -20.15 -35.41 -11.60 -19.26 -3.31 12.76 116.75 -2.66 14.35 115.55 coo -34.41 -16.73 -21.11 -35.66 -15.03 -20.96 -4.32 17.92 112.37 -3.28 16.49 113.53 1qol_c06 source 1qol PROTEASE (NONSTRUCTURAL PROTEIN P20A) : 2 hits 1qol_c06 naa= 3 ULMN 3 1qol_c07 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 # 1 H 51 ALA A 214 ALA^? 7.16 O1 SO4 A 230 H 148 HIS A 210 HIS^? 9.95 O1 SO4 A 230 H 163 ASP A 208 ASP^? 7.66 O1 SO4 A 230 coo -33.97 9.40 -47.46 -34.31 8.55 -46.23 -14.84 46.79 99.08 -16.31 46.97 98.48 coo -35.28 7.86 -41.76 -36.20 9.51 -42.67 -16.02 49.92 93.97 -17.27 50.59 95.51 coo -35.25 15.19 -41.05 -35.81 13.11 -41.05 -15.69 43.98 89.75 -16.79 45.74 90.29 1qol_c07 source 1qol PROTEASE (NONSTRUCTURAL PROTEIN P20A) : 1 hits 1qol_c07 naa= 3 ULMN 3 1qrz_c12 PLASMINOGEN user 1 3 # 1 A 603 HIS A 215 HIS^? -3.69 O3 SO4 A 230s A 646 ASP A 39 ASP^? 5.87 O2 SO4 A 230 A 741 SER A 32 SER^? 6.95 O3 SO4 A 230 coo -20.72 2.99 34.37 -21.94 1.82 35.61 -13.92 40.67 99.66 -13.69 38.69 100.32 coo -18.83 7.68 26.86 -20.89 7.78 26.56 -16.67 33.15 92.05 -17.20 32.80 93.99 coo -16.10 -1.48 32.49 -17.38 0.37 33.40 -9.65 37.25 100.15 -11.63 37.02 101.57 ULMN 3 1qrz_c12 PLASMINOGEN user 2 3 # 2 A 603 HIS A 215 HIS^? -3.69 O3 SO4 A 230s A 646 ASP A 39 ASP^? 5.87 O2 SO4 A 230 A 741 SER A 227 SER^? 9.64 O2 SO4 A 230 coo -20.72 2.99 34.37 -21.94 1.82 35.61 -13.92 40.67 99.66 -13.69 38.69 100.32 coo -18.83 7.68 26.86 -20.89 7.78 26.56 -16.67 33.15 92.05 -17.20 32.80 93.99 coo -16.10 -1.48 32.49 -17.38 0.37 33.40 -11.19 33.23 102.79 -12.58 31.68 101.59 ULMN 3 1qrz_c12 PLASMINOGEN user 3 3 # 3 A 603 HIS B 215 HIS^? 20.82 O1 SO4 B 229 A 646 ASP B 39 ASP^? 20.66 O1 SO4 A 229 A 741 SER B 32 SER^? 18.05 O1 SO4 B 229 coo -20.72 2.99 34.37 -21.94 1.82 35.61 17.61 22.77 112.56 17.48 24.80 112.05 coo -18.83 7.68 26.86 -20.89 7.78 26.56 23.84 25.31 104.29 24.42 26.93 105.50 coo -16.10 -1.48 32.49 -17.38 0.37 33.40 14.02 25.45 109.10 14.28 25.64 111.53 ULMN 3 1qrz_c12 PLASMINOGEN user 4 3 # 4 A 603 HIS B 215 HIS^? 20.82 O1 SO4 B 229 A 646 ASP B 39 ASP^? 20.66 O1 SO4 A 229 A 741 SER B 227 SER^? 13.75 O1 SO4 A 229 coo -20.72 2.99 34.37 -21.94 1.82 35.61 17.61 22.77 112.56 17.48 24.80 112.05 coo -18.83 7.68 26.86 -20.89 7.78 26.56 23.84 25.31 104.29 24.42 26.93 105.50 coo -16.10 -1.48 32.49 -17.38 0.37 33.40 14.71 30.25 109.72 16.59 31.22 108.47 1qrz_c12 source 1qrz PLASMINOGEN : 4 hits 1qrz_c12 naa= 3 ULMN 3 1qrz_c13 PLASMINOGEN user 1 3 # 1 B 603 HIS B 215 HIS^? 20.82 O1 SO4 B 229 B 646 ASP B 39 ASP^? 20.66 O1 SO4 A 229 B 741 SER B 32 SER^? 18.05 O1 SO4 B 229 coo -48.36 3.10 -3.91 -49.78 2.04 -2.80 17.61 22.77 112.56 17.48 24.80 112.05 coo -46.10 7.71 -10.96 -48.16 8.01 -11.35 23.84 25.31 104.29 24.42 26.93 105.50 coo -43.75 -1.60 -6.12 -44.85 0.33 -5.15 14.02 25.45 109.10 14.28 25.64 111.53 ULMN 3 1qrz_c13 PLASMINOGEN user 2 3 # 2 B 603 HIS B 215 HIS^? 20.82 O1 SO4 B 229 B 646 ASP B 39 ASP^? 20.66 O1 SO4 A 229 B 741 SER B 227 SER^? 13.75 O1 SO4 A 229 coo -48.36 3.10 -3.91 -49.78 2.04 -2.80 17.61 22.77 112.56 17.48 24.80 112.05 coo -46.10 7.71 -10.96 -48.16 8.01 -11.35 23.84 25.31 104.29 24.42 26.93 105.50 coo -43.75 -1.60 -6.12 -44.85 0.33 -5.15 14.71 30.25 109.72 16.59 31.22 108.47 1qrz_c13 source 1qrz PLASMINOGEN : 2 hits 1qrz_c13 naa= 3 ULMN 3 1qrz_c14 PLASMINOGEN user 1 3 # 1 C 603 HIS B 215 HIS^? 20.82 O1 SO4 B 229 C 646 ASP B 39 ASP^? 20.66 O1 SO4 A 229 C 741 SER B 32 SER^? 18.05 O1 SO4 B 229 coo 1.49 -9.23 8.48 -0.19 -8.40 9.43 17.61 22.77 112.56 17.48 24.80 112.05 coo 9.05 -13.82 8.74 8.78 -14.02 10.85 23.84 25.31 104.29 24.42 26.93 105.50 coo 4.71 -4.57 4.71 3.58 -6.49 5.69 14.02 25.45 109.10 14.28 25.64 111.53 ULMN 3 1qrz_c14 PLASMINOGEN user 2 3 # 2 C 603 HIS B 215 HIS^? 20.82 O1 SO4 B 229 C 646 ASP B 39 ASP^? 20.66 O1 SO4 A 229 C 741 SER B 227 SER^? 13.75 O1 SO4 A 229 coo 1.49 -9.23 8.48 -0.19 -8.40 9.43 17.61 22.77 112.56 17.48 24.80 112.05 coo 9.05 -13.82 8.74 8.78 -14.02 10.85 23.84 25.31 104.29 24.42 26.93 105.50 coo 4.71 -4.57 4.71 3.58 -6.49 5.69 14.71 30.25 109.72 16.59 31.22 108.47 1qrz_c14 source 1qrz PLASMINOGEN : 2 hits 1qrz_c14 naa= 3 ULMN 3 1qrz_c15 PLASMINOGEN user 1 3 # 1 D 603 HIS B 215 HIS^? 20.82 O1 SO4 B 229 D 646 ASP B 39 ASP^? 20.66 O1 SO4 A 229 D 741 SER B 32 SER^? 18.05 O1 SO4 B 229 coo -52.57 -8.94 46.70 -54.06 -7.64 47.39 17.61 22.77 112.56 17.48 24.80 112.05 coo -45.30 -14.04 46.94 -45.65 -14.15 49.00 23.84 25.31 104.29 24.42 26.93 105.50 coo -49.16 -4.56 43.16 -50.44 -6.45 43.96 14.02 25.45 109.10 14.28 25.64 111.53 ULMN 3 1qrz_c15 PLASMINOGEN user 2 3 # 2 D 603 HIS B 215 HIS^? 20.82 O1 SO4 B 229 D 646 ASP B 39 ASP^? 20.66 O1 SO4 A 229 D 741 SER B 227 SER^? 13.75 O1 SO4 A 229 coo -52.57 -8.94 46.70 -54.06 -7.64 47.39 17.61 22.77 112.56 17.48 24.80 112.05 coo -45.30 -14.04 46.94 -45.65 -14.15 49.00 23.84 25.31 104.29 24.42 26.93 105.50 coo -49.16 -4.56 43.16 -50.44 -6.45 43.96 14.71 30.25 109.72 16.59 31.22 108.47 1qrz_c15 source 1qrz PLASMINOGEN : 2 hits 1qrz_c15 naa= 3 ULMN 3 1qrz_c20 PLASMINOGEN user 1 3 # 1 A 603 HIS A 9 HIS.? 23.14 O2 SO4 A 230 A 646 ASP A 11 ASP.? 21.96 O2 SO4 A 231 A 739 GLY A 40 GLY^? 11.26 O2 SO4 A 230 coo -20.72 2.99 34.37 -21.94 1.82 35.61 -13.85 29.27 75.39 -15.86 28.68 75.21 coo -18.83 7.68 26.86 -20.89 7.78 26.56 -4.20 26.29 77.28 -4.78 26.04 75.24 coo -13.44 -7.35 30.08 -14.24 -7.41 30.34 -15.87 29.48 89.40 -15.10 29.70 89.61 ULMN 3 1qrz_c20 PLASMINOGEN user 2 3 # 2 A 603 HIS A 210 HIS^? 9.95 O1 SO4 A 230 A 646 ASP A 208 ASP^? 7.66 O1 SO4 A 230 A 739 GLY A 29 GLY^? 9.91 O3 SO4 A 230 coo -20.72 2.99 34.37 -21.94 1.82 35.61 -16.02 49.92 93.97 -17.27 50.59 95.51 coo -18.83 7.68 26.86 -20.89 7.78 26.56 -15.69 43.98 89.75 -16.79 45.74 90.29 coo -13.44 -7.35 30.08 -14.24 -7.41 30.34 -8.36 41.25 102.79 -7.69 40.99 102.42 ULMN 3 1qrz_c20 PLASMINOGEN user 3 3 # 3 A 603 HIS A 210 HIS^? 9.95 O1 SO4 A 230 A 646 ASP A 208 ASP^? 7.66 O1 SO4 A 230 A 739 GLY A 89 GLY^? 17.01 O1 SO4 A 230 coo -20.72 2.99 34.37 -21.94 1.82 35.61 -16.02 49.92 93.97 -17.27 50.59 95.51 coo -18.83 7.68 26.86 -20.89 7.78 26.56 -15.69 43.98 89.75 -16.79 45.74 90.29 coo -13.44 -7.35 30.08 -14.24 -7.41 30.34 -4.32 51.99 94.40 -3.98 51.29 94.76 ULMN 3 1qrz_c20 PLASMINOGEN user 4 3 # 4 A 603 HIS A 215 HIS^? -3.69 O3 SO4 A 230s A 646 ASP A 208 ASP^? 7.66 O1 SO4 A 230 A 739 GLY A 40 GLY^? 11.26 O2 SO4 A 230 coo -20.72 2.99 34.37 -21.94 1.82 35.61 -13.92 40.67 99.66 -13.69 38.69 100.32 coo -18.83 7.68 26.86 -20.89 7.78 26.56 -15.69 43.98 89.75 -16.79 45.74 90.29 coo -13.44 -7.35 30.08 -14.24 -7.41 30.34 -15.87 29.48 89.40 -15.10 29.70 89.61 1qrz_c20 source 1qrz PLASMINOGEN : 4 hits 1qrz_c20 naa= 3 ULMN 3 1qrz_c21 PLASMINOGEN user 1 3 # 1 B 603 HIS A 9 HIS.? 23.14 O2 SO4 A 230 B 646 ASP A 11 ASP.? 21.96 O2 SO4 A 231 B 739 GLY A 40 GLY^? 11.26 O2 SO4 A 230 coo -48.36 3.10 -3.91 -49.78 2.04 -2.80 -13.85 29.27 75.39 -15.86 28.68 75.21 coo -46.10 7.71 -10.96 -48.16 8.01 -11.35 -4.20 26.29 77.28 -4.78 26.04 75.24 coo -41.48 -7.57 -8.71 -42.26 -7.67 -8.41 -15.87 29.48 89.40 -15.10 29.70 89.61 ULMN 3 1qrz_c21 PLASMINOGEN user 2 3 # 2 B 603 HIS A 97 HIS^? 10.66 O4 SO4 A 229 B 646 ASP A 120 ASP^? 7.17 O2 SO4 A 229 B 739 GLY A 89 GLY^? 17.01 O1 SO4 A 230 coo -48.36 3.10 -3.91 -49.78 2.04 -2.80 7.24 52.04 104.47 6.71 50.18 103.67 coo -46.10 7.71 -10.96 -48.16 8.01 -11.35 9.29 47.78 99.49 7.80 47.36 98.01 coo -41.48 -7.57 -8.71 -42.26 -7.67 -8.41 -4.32 51.99 94.40 -3.98 51.29 94.76 ULMN 3 1qrz_c21 PLASMINOGEN user 3 3 # 3 B 603 HIS A 210 HIS^? 9.95 O1 SO4 A 230 B 646 ASP A 208 ASP^? 7.66 O1 SO4 A 230 B 739 GLY A 29 GLY^? 9.91 O3 SO4 A 230 coo -48.36 3.10 -3.91 -49.78 2.04 -2.80 -16.02 49.92 93.97 -17.27 50.59 95.51 coo -46.10 7.71 -10.96 -48.16 8.01 -11.35 -15.69 43.98 89.75 -16.79 45.74 90.29 coo -41.48 -7.57 -8.71 -42.26 -7.67 -8.41 -8.36 41.25 102.79 -7.69 40.99 102.42 ULMN 3 1qrz_c21 PLASMINOGEN user 4 3 # 4 B 603 HIS A 210 HIS^? 9.95 O1 SO4 A 230 B 646 ASP A 208 ASP^? 7.66 O1 SO4 A 230 B 739 GLY A 89 GLY^? 17.01 O1 SO4 A 230 coo -48.36 3.10 -3.91 -49.78 2.04 -2.80 -16.02 49.92 93.97 -17.27 50.59 95.51 coo -46.10 7.71 -10.96 -48.16 8.01 -11.35 -15.69 43.98 89.75 -16.79 45.74 90.29 coo -41.48 -7.57 -8.71 -42.26 -7.67 -8.41 -4.32 51.99 94.40 -3.98 51.29 94.76 ULMN 3 1qrz_c21 PLASMINOGEN user 5 3 # 5 B 603 HIS A 215 HIS^? -3.69 O3 SO4 A 230s B 646 ASP A 208 ASP^? 7.66 O1 SO4 A 230 B 739 GLY A 40 GLY^? 11.26 O2 SO4 A 230 coo -48.36 3.10 -3.91 -49.78 2.04 -2.80 -13.92 40.67 99.66 -13.69 38.69 100.32 coo -46.10 7.71 -10.96 -48.16 8.01 -11.35 -15.69 43.98 89.75 -16.79 45.74 90.29 coo -41.48 -7.57 -8.71 -42.26 -7.67 -8.41 -15.87 29.48 89.40 -15.10 29.70 89.61 ULMN 3 1qrz_c21 PLASMINOGEN user 6 3 # 6 B 603 HIS B 97 HIS^? 12.49 O3 SO4 B 229 B 646 ASP B 120 ASP^? 8.68 O3 SO4 B 229 B 739 GLY B 89 GLY^? 16.96 O1 SO4 B 229 coo -48.36 3.10 -3.91 -49.78 2.04 -2.80 -3.31 12.76 116.75 -2.66 14.35 115.55 coo -46.10 7.71 -10.96 -48.16 8.01 -11.35 -4.32 17.92 112.37 -3.28 16.49 113.53 coo -41.48 -7.57 -8.71 -42.26 -7.67 -8.41 10.15 9.21 110.31 9.83 9.95 110.22 ULMN 3 1qrz_c21 PLASMINOGEN user 7 3 # 7 B 603 HIS B 97 HIS^? 12.49 O3 SO4 B 229 B 646 ASP B 120 ASP^? 8.68 O3 SO4 B 229 B 739 GLY B 130 GLY^? 19.11 O2 SO4 B 229 coo -48.36 3.10 -3.91 -49.78 2.04 -2.80 -3.31 12.76 116.75 -2.66 14.35 115.55 coo -46.10 7.71 -10.96 -48.16 8.01 -11.35 -4.32 17.92 112.37 -3.28 16.49 113.53 coo -41.48 -7.57 -8.71 -42.26 -7.67 -8.41 -14.25 5.51 108.72 -14.86 5.83 109.14 1qrz_c21 source 1qrz PLASMINOGEN : 7 hits 1qrz_c21 naa= 3 ULMN 3 1qrz_c22 PLASMINOGEN user 1 3 # 1 C 603 HIS A 9 HIS.? 23.14 O2 SO4 A 230 C 646 ASP A 11 ASP.? 21.96 O2 SO4 A 231 C 739 GLY A 40 GLY^? 11.26 O2 SO4 A 230 coo 1.49 -9.23 8.48 -0.19 -8.40 9.43 -13.85 29.27 75.39 -15.86 28.68 75.21 coo 9.05 -13.82 8.74 8.78 -14.02 10.85 -4.20 26.29 77.28 -4.78 26.04 75.24 coo 7.82 1.25 3.03 7.30 1.31 3.65 -15.87 29.48 89.40 -15.10 29.70 89.61 ULMN 3 1qrz_c22 PLASMINOGEN user 2 3 # 2 C 603 HIS A 97 HIS^? 10.66 O4 SO4 A 229 C 646 ASP A 120 ASP^? 7.17 O2 SO4 A 229 C 739 GLY A 89 GLY^? 17.01 O1 SO4 A 230 coo 1.49 -9.23 8.48 -0.19 -8.40 9.43 7.24 52.04 104.47 6.71 50.18 103.67 coo 9.05 -13.82 8.74 8.78 -14.02 10.85 9.29 47.78 99.49 7.80 47.36 98.01 coo 7.82 1.25 3.03 7.30 1.31 3.65 -4.32 51.99 94.40 -3.98 51.29 94.76 ULMN 3 1qrz_c22 PLASMINOGEN user 3 3 # 3 C 603 HIS A 210 HIS^? 9.95 O1 SO4 A 230 C 646 ASP A 208 ASP^? 7.66 O1 SO4 A 230 C 739 GLY A 29 GLY^? 9.91 O3 SO4 A 230 coo 1.49 -9.23 8.48 -0.19 -8.40 9.43 -16.02 49.92 93.97 -17.27 50.59 95.51 coo 9.05 -13.82 8.74 8.78 -14.02 10.85 -15.69 43.98 89.75 -16.79 45.74 90.29 coo 7.82 1.25 3.03 7.30 1.31 3.65 -8.36 41.25 102.79 -7.69 40.99 102.42 ULMN 3 1qrz_c22 PLASMINOGEN user 4 3 # 4 C 603 HIS A 210 HIS^? 9.95 O1 SO4 A 230 C 646 ASP A 208 ASP^? 7.66 O1 SO4 A 230 C 739 GLY A 89 GLY^? 17.01 O1 SO4 A 230 coo 1.49 -9.23 8.48 -0.19 -8.40 9.43 -16.02 49.92 93.97 -17.27 50.59 95.51 coo 9.05 -13.82 8.74 8.78 -14.02 10.85 -15.69 43.98 89.75 -16.79 45.74 90.29 coo 7.82 1.25 3.03 7.30 1.31 3.65 -4.32 51.99 94.40 -3.98 51.29 94.76 ULMN 3 1qrz_c22 PLASMINOGEN user 5 3 # 5 C 603 HIS A 215 HIS^? -3.69 O3 SO4 A 230s C 646 ASP A 208 ASP^? 7.66 O1 SO4 A 230 C 739 GLY A 40 GLY^? 11.26 O2 SO4 A 230 coo 1.49 -9.23 8.48 -0.19 -8.40 9.43 -13.92 40.67 99.66 -13.69 38.69 100.32 coo 9.05 -13.82 8.74 8.78 -14.02 10.85 -15.69 43.98 89.75 -16.79 45.74 90.29 coo 7.82 1.25 3.03 7.30 1.31 3.65 -15.87 29.48 89.40 -15.10 29.70 89.61 ULMN 3 1qrz_c22 PLASMINOGEN user 6 3 # 6 C 603 HIS B 97 HIS^? 12.49 O3 SO4 B 229 C 646 ASP B 120 ASP^? 8.68 O3 SO4 B 229 C 739 GLY B 89 GLY^? 16.96 O1 SO4 B 229 coo 1.49 -9.23 8.48 -0.19 -8.40 9.43 -3.31 12.76 116.75 -2.66 14.35 115.55 coo 9.05 -13.82 8.74 8.78 -14.02 10.85 -4.32 17.92 112.37 -3.28 16.49 113.53 coo 7.82 1.25 3.03 7.30 1.31 3.65 10.15 9.21 110.31 9.83 9.95 110.22 ULMN 3 1qrz_c22 PLASMINOGEN user 7 3 # 7 C 603 HIS B 97 HIS^? 12.49 O3 SO4 B 229 C 646 ASP B 120 ASP^? 8.68 O3 SO4 B 229 C 739 GLY B 130 GLY^? 19.11 O2 SO4 B 229 coo 1.49 -9.23 8.48 -0.19 -8.40 9.43 -3.31 12.76 116.75 -2.66 14.35 115.55 coo 9.05 -13.82 8.74 8.78 -14.02 10.85 -4.32 17.92 112.37 -3.28 16.49 113.53 coo 7.82 1.25 3.03 7.30 1.31 3.65 -14.25 5.51 108.72 -14.86 5.83 109.14 1qrz_c22 source 1qrz PLASMINOGEN : 7 hits 1qrz_c22 naa= 3 ULMN 3 1qrz_c23 PLASMINOGEN user 1 3 # 1 D 603 HIS A 9 HIS.? 23.14 O2 SO4 A 230 D 646 ASP A 11 ASP.? 21.96 O2 SO4 A 231 D 739 GLY A 40 GLY^? 11.26 O2 SO4 A 230 coo -52.57 -8.94 46.70 -54.06 -7.64 47.39 -13.85 29.27 75.39 -15.86 28.68 75.21 coo -45.30 -14.04 46.94 -45.65 -14.15 49.00 -4.20 26.29 77.28 -4.78 26.04 75.24 coo -45.82 1.31 41.67 -46.38 1.39 42.31 -15.87 29.48 89.40 -15.10 29.70 89.61 ULMN 3 1qrz_c23 PLASMINOGEN user 2 3 # 2 D 603 HIS A 210 HIS^? 9.95 O1 SO4 A 230 D 646 ASP A 208 ASP^? 7.66 O1 SO4 A 230 D 739 GLY A 29 GLY^? 9.91 O3 SO4 A 230 coo -52.57 -8.94 46.70 -54.06 -7.64 47.39 -16.02 49.92 93.97 -17.27 50.59 95.51 coo -45.30 -14.04 46.94 -45.65 -14.15 49.00 -15.69 43.98 89.75 -16.79 45.74 90.29 coo -45.82 1.31 41.67 -46.38 1.39 42.31 -8.36 41.25 102.79 -7.69 40.99 102.42 ULMN 3 1qrz_c23 PLASMINOGEN user 3 3 # 3 D 603 HIS A 210 HIS^? 9.95 O1 SO4 A 230 D 646 ASP A 208 ASP^? 7.66 O1 SO4 A 230 D 739 GLY A 89 GLY^? 17.01 O1 SO4 A 230 coo -52.57 -8.94 46.70 -54.06 -7.64 47.39 -16.02 49.92 93.97 -17.27 50.59 95.51 coo -45.30 -14.04 46.94 -45.65 -14.15 49.00 -15.69 43.98 89.75 -16.79 45.74 90.29 coo -45.82 1.31 41.67 -46.38 1.39 42.31 -4.32 51.99 94.40 -3.98 51.29 94.76 1qrz_c23 source 1qrz PLASMINOGEN : 3 hits 1qrz_c23 naa= 3 ULMN 3 1qz9_c02 KYNURENINASE user 1 3 # 1 A 129 PHE A 38 PHE^? 11.35 O1 SO4 A 230 A 201 ASP A 39 ASP^? 5.87 O2 SO4 A 230 A 227 LYS A 209 LYS^? -15.38 O1 SO4 A 230s coo 23.39 49.81 32.16 21.33 51.68 32.26 -9.73 34.51 90.07 -7.93 35.99 88.52 coo 25.52 45.12 37.98 23.98 46.65 37.85 -16.67 33.15 92.05 -17.20 32.80 93.99 coo 12.68 46.83 36.69 18.26 48.67 34.51 -11.65 46.61 90.96 -7.59 51.79 90.86 ULMN 3 1qz9_c02 KYNURENINASE user 2 3 # 2 A 129 PHE A 128 PHE^? 20.91 O4 SO4 A 229 A 201 ASP A 126 ASP^? 16.24 O1 SO4 A 229 A 227 LYS A 110 LYS^? 28.35 O1 SO4 A 229 coo 23.39 49.81 32.16 21.33 51.68 32.26 14.74 59.11 102.82 14.74 60.87 104.99 coo 25.52 45.12 37.98 23.98 46.65 37.85 18.12 53.54 96.53 19.31 51.77 96.80 coo 12.68 46.83 36.69 18.26 48.67 34.51 25.55 58.06 108.35 29.49 58.97 105.77 ULMN 3 1qz9_c02 KYNURENINASE user 3 3 # 3 A 129 PHE A 128 PHE^? 20.91 O4 SO4 A 229 A 201 ASP A 179 ASP^? 20.51 O2 SO4 A 229 A 227 LYS A 122 LYS^? 10.06 O1 SO4 A 229 coo 23.39 49.81 32.16 21.33 51.68 32.26 14.74 59.11 102.82 14.74 60.87 104.99 coo 25.52 45.12 37.98 23.98 46.65 37.85 9.62 60.80 96.72 10.25 60.11 94.85 coo 12.68 46.83 36.69 18.26 48.67 34.51 16.00 48.82 99.35 17.27 43.58 96.56 ULMN 3 1qz9_c02 KYNURENINASE user 4 3 # 4 A 129 PHE B 38 PHE^? 20.00 O1 SO4 B 229 A 201 ASP B 39 ASP^? 20.66 O1 SO4 A 229 A 227 LYS B 209 LYS^? 20.92 O1 SO4 B 229 coo 23.39 49.81 32.16 21.33 51.68 32.26 18.72 22.26 100.23 17.41 19.94 99.33 coo 25.52 45.12 37.98 23.98 46.65 37.85 23.84 25.31 104.29 24.42 26.93 105.50 coo 12.68 46.83 36.69 18.26 48.67 34.51 18.15 13.29 108.56 15.24 7.74 107.09 ULMN 3 1qz9_c02 KYNURENINASE user 5 3 # 5 A 129 PHE B 128 PHE^? 21.17 O3 SO4 B 229 A 201 ASP B 179 ASP^? 19.53 O1 SO4 B 229 A 227 LYS B 122 LYS^? 11.60 O2 SO4 B 229 coo 23.39 49.81 32.16 21.33 51.68 32.26 -10.56 5.78 116.00 -10.83 4.09 118.25 coo 25.52 45.12 37.98 23.98 46.65 37.85 -5.05 2.01 112.29 -5.62 2.01 110.23 coo 12.68 46.83 36.69 18.26 48.67 34.51 -10.43 15.56 110.86 -13.65 15.21 106.31 1qz9_c02 source 1qz9 KYNURENINASE : 5 hits 1qz9_c02 naa= 3 ULMN 3 1r4f_c00 IAG-NUCLEOSIDE HYDROLASE user 1 3 # 1 A 10 ASP A 39 ASP^? 5.87 O2 SO4 A 230 A 186 ASN A -1 ASN~? 7.62 O2 SO4 A 230 A 260 ALA A 5 ALA~? 17.77 O2 SO4 A 230 coo 11.81 33.10 11.71 13.07 31.45 11.40 -16.67 33.15 92.05 -17.20 32.80 93.99 coo 11.43 26.53 7.41 13.01 27.56 8.43 -20.72 36.47 89.14 -19.13 37.89 88.96 coo 21.53 26.33 6.96 20.26 25.69 7.52 -17.17 29.58 80.84 -18.44 30.34 80.45 ULMN 3 1r4f_c00 IAG-NUCLEOSIDE HYDROLASE user 2 3 # 2 A 10 ASP A 39 ASP^? 5.87 O2 SO4 A 230 A 186 ASN A -1 ASN~? 7.62 O2 SO4 A 230 A 260 ALA A 205 ALA^? 14.64 O1 SO4 A 230 coo 11.81 33.10 11.71 13.07 31.45 11.40 -16.67 33.15 92.05 -17.20 32.80 93.99 coo 11.43 26.53 7.41 13.01 27.56 8.43 -20.72 36.47 89.14 -19.13 37.89 88.96 coo 21.53 26.33 6.96 20.26 25.69 7.52 -12.55 39.72 82.54 -12.60 38.42 81.81 ULMN 3 1r4f_c00 IAG-NUCLEOSIDE HYDROLASE user 3 3 # 3 A 10 ASP A 39 ASP^? 5.87 O2 SO4 A 230 A 186 ASN A -1 ASN~? 7.62 O2 SO4 A 230 A 260 ALA A 211 ALA^? 4.40 O1 SO4 A 230 coo 11.81 33.10 11.71 13.07 31.45 11.40 -16.67 33.15 92.05 -17.20 32.80 93.99 coo 11.43 26.53 7.41 13.01 27.56 8.43 -20.72 36.47 89.14 -19.13 37.89 88.96 coo 21.53 26.33 6.96 20.26 25.69 7.52 -15.73 45.10 94.41 -16.41 44.09 93.44 ULMN 3 1r4f_c00 IAG-NUCLEOSIDE HYDROLASE user 4 3 # 4 A 10 ASP A 64 ASP^? 16.48 O4 SO4 A 231 A 186 ASN A 14 ASN.? 15.31 O2 SO4 B 229 A 260 ALA A 46 ALA^? 11.21 O3 SO4 A 229 coo 11.81 33.10 11.71 13.07 31.45 11.40 -0.89 32.13 86.35 -1.06 30.06 86.04 coo 11.43 26.53 7.41 13.01 27.56 8.43 -4.71 25.36 88.88 -5.40 23.36 89.18 coo 21.53 26.33 6.96 20.26 25.69 7.52 1.33 30.18 96.93 2.21 29.93 95.73 1r4f_c00 source 1r4f IAG-NUCLEOSIDE HYDROLASE : 4 hits 1r4f_c00 naa= 3 ULMN 3 1req_c10 METHYLMALONYL-COA MUTASE user 1 3 # 1 A 608 ASP A 208 ASP^? 7.66 O1 SO4 A 230 A 610 HIS A 210 HIS^? 9.95 O1 SO4 A 230 A 661 HIS A 215 HIS^? -3.69 O3 SO4 A 230s coo 75.99 81.56 1.86 73.91 81.34 2.28 -15.69 43.98 89.75 -16.79 45.74 90.29 coo 71.04 78.84 0.46 71.54 76.90 1.02 -16.02 49.92 93.97 -17.27 50.59 95.51 coo 75.40 81.38 12.06 74.88 79.42 12.63 -13.92 40.67 99.66 -13.69 38.69 100.32 ULMN 3 1req_c10 METHYLMALONYL-COA MUTASE user 2 3 # 2 A 608 ASP B 208 ASP^? 25.58 O1 SO4 B 229 A 610 HIS B 210 HIS^? 25.92 O1 SO4 B 229 A 661 HIS B 215 HIS^? 20.82 O1 SO4 B 229 coo 75.99 81.56 1.86 73.91 81.34 2.28 22.68 13.69 106.98 23.40 15.21 108.39 coo 71.04 78.84 0.46 71.54 76.90 1.02 21.10 10.94 112.67 20.59 9.01 113.37 coo 75.40 81.38 12.06 74.88 79.42 12.63 17.61 22.77 112.56 17.48 24.80 112.05 1req_c10 source 1req METHYLMALONYL-COA MUTASE : 2 hits 1req_c10 naa= 3 ULMN 3 1req_c11 METHYLMALONYL-COA MUTASE user 1 3 # 1 C 608 ASP A 208 ASP^? 7.66 O1 SO4 A 230 C 610 HIS A 210 HIS^? 9.95 O1 SO4 A 230 C 661 HIS A 215 HIS^? -3.69 O3 SO4 A 230s coo -17.65 80.52 58.00 -16.23 80.79 56.41 -15.69 43.98 89.75 -16.79 45.74 90.29 coo -16.56 83.18 53.03 -16.33 85.18 53.60 -16.02 49.92 93.97 -17.27 50.59 95.51 coo -8.38 80.78 62.24 -7.53 82.67 62.02 -13.92 40.67 99.66 -13.69 38.69 100.32 ULMN 3 1req_c11 METHYLMALONYL-COA MUTASE user 2 3 # 2 C 608 ASP B 208 ASP^? 25.58 O1 SO4 B 229 C 610 HIS B 210 HIS^? 25.92 O1 SO4 B 229 C 661 HIS B 215 HIS^? 20.82 O1 SO4 B 229 coo -17.65 80.52 58.00 -16.23 80.79 56.41 22.68 13.69 106.98 23.40 15.21 108.39 coo -16.56 83.18 53.03 -16.33 85.18 53.60 21.10 10.94 112.67 20.59 9.01 113.37 coo -8.38 80.78 62.24 -7.53 82.67 62.02 17.61 22.77 112.56 17.48 24.80 112.05 1req_c11 source 1req METHYLMALONYL-COA MUTASE : 2 hits 1req_c11 naa= 3 ULMN 3 1rgq_c01 NS4A PEPTIDE user 1 3 # 1 B 60 HIS A 210 HIS^? 9.95 O1 SO4 A 230 B 84 ASP A 208 ASP^? 7.66 O1 SO4 A 230 B 140 GLY A 89 GLY^? 17.01 O1 SO4 A 230 coo 20.71 17.85 -18.47 19.91 19.62 -17.68 -16.02 49.92 93.97 -17.27 50.59 95.51 coo 23.40 21.01 -22.79 22.72 19.65 -21.32 -15.69 43.98 89.75 -16.79 45.74 90.29 coo 11.52 20.17 -13.15 11.93 20.87 -13.16 -4.32 51.99 94.40 -3.98 51.29 94.76 ULMN 3 1rgq_c01 NS4A PEPTIDE user 2 3 # 2 B 60 HIS B 210 HIS^? 25.92 O1 SO4 B 229 B 84 ASP B 208 ASP^? 25.58 O1 SO4 B 229 B 140 GLY B 89 GLY^? 16.96 O1 SO4 B 229 coo 20.71 17.85 -18.47 19.91 19.62 -17.68 21.10 10.94 112.67 20.59 9.01 113.37 coo 23.40 21.01 -22.79 22.72 19.65 -21.32 22.68 13.69 106.98 23.40 15.21 108.39 coo 11.52 20.17 -13.15 11.93 20.87 -13.16 10.15 9.21 110.31 9.83 9.95 110.22 1rgq_c01 source 1rgq NS4A PEPTIDE : 2 hits 1rgq_c01 naa= 3 ULMN 3 1rne_c04 RENIN (ACTIVATED, GLYCOSYLATED, INHIuser 1 3 # 1 32 ASP A 115 ASP^? 8.58 O1 SO4 A 229 35 SER A 140 SER^? 13.33 O1 SO4 A 229 215 ASP A 138 ASP^? 13.32 O1 SO4 A 229 coo 11.85 17.24 72.81 11.09 15.37 72.36 15.77 43.56 105.82 15.72 41.47 106.14 coo 12.20 12.71 75.45 13.69 13.84 74.03 16.67 42.99 109.88 16.46 41.74 111.93 coo 5.22 15.03 71.43 7.19 14.88 70.83 23.15 43.17 105.53 21.70 41.96 104.55 ULMN 3 1rne_c04 RENIN (ACTIVATED, GLYCOSYLATED, INHIuser 2 3 # 2 32 ASP B 115 ASP^? 13.85 O3 SO4 B 229 35 SER B 140 SER^? 18.74 O3 SO4 B 229 215 ASP B 138 ASP^? 17.24 O3 SO4 B 229 coo 11.85 17.24 72.81 11.09 15.37 72.36 -12.10 21.41 116.25 -11.91 23.51 116.16 coo 12.20 12.71 75.45 13.69 13.84 74.03 -13.55 22.77 120.12 -12.47 24.15 121.85 coo 5.22 15.03 71.43 7.19 14.88 70.83 -19.34 21.74 114.74 -17.84 23.07 113.94 1rne_c04 source 1rne RENIN (ACTIVATED, GLYCOSYLATED, INHIBITED) (E.: 2 hits 1rne_c04 naa= 3 ULMN 3 1ro7_c03 ALPHA-2,3/8-SIALYLTRANSFERASE user 1 3 # 1 D 129 ARG A 54 ARG^? -2.64 O2 SO4 A 229s D 156 TYR A 23 TYR^? 9.18 O3 SO4 A 229 D 188 HIS A 47 HIS^? 9.70 O3 SO4 A 229 coo -19.99 -38.81 30.91 -19.99 -39.90 28.04 5.30 36.31 96.12 6.03 38.74 97.87 coo -32.96 -44.88 30.49 -32.31 -42.65 28.92 2.43 36.38 108.49 3.36 33.75 108.42 coo -25.33 -42.26 31.79 -24.77 -40.56 30.70 0.48 32.34 101.22 -1.58 32.73 101.11 ULMN 3 1ro7_c03 ALPHA-2,3/8-SIALYLTRANSFERASE user 2 3 # 2 D 129 ARG A 54 ARG^? -2.64 O2 SO4 A 229s D 156 TYR A 228 TYR^? 12.29 O4 SO4 B 229 D 188 HIS A 47 HIS^? 9.70 O3 SO4 A 229 coo -19.99 -38.81 30.91 -19.99 -39.90 28.04 5.30 36.31 96.12 6.03 38.74 97.87 coo -32.96 -44.88 30.49 -32.31 -42.65 28.92 -6.50 33.95 102.32 -5.45 34.14 104.92 coo -25.33 -42.26 31.79 -24.77 -40.56 30.70 0.48 32.34 101.22 -1.58 32.73 101.11 ULMN 3 1ro7_c03 ALPHA-2,3/8-SIALYLTRANSFERASE user 3 3 # 3 D 129 ARG B 54 ARG^? -2.73 O1 SO4 B 229s D 156 TYR B 23 TYR^? 8.86 O4 SO4 B 229 D 188 HIS B 47 HIS^? 9.69 O4 SO4 B 229 coo -19.99 -38.81 30.91 -19.99 -39.90 28.04 2.04 21.87 100.04 0.47 20.79 102.47 coo -32.96 -44.88 30.49 -32.31 -42.65 28.92 -0.27 28.40 110.26 -0.70 30.59 108.63 coo -25.33 -42.26 31.79 -24.77 -40.56 30.70 4.75 28.44 103.45 6.59 28.31 104.44 ULMN 3 1ro7_c03 ALPHA-2,3/8-SIALYLTRANSFERASE user 4 3 # 4 D 129 ARG B 54 ARG^? -2.73 O1 SO4 B 229s D 156 TYR B 228 TYR^? 12.23 O3 SO4 A 229 D 188 HIS B 47 HIS^? 9.69 O4 SO4 B 229 coo -19.99 -38.81 30.91 -19.99 -39.90 28.04 2.04 21.87 100.04 0.47 20.79 102.47 coo -32.96 -44.88 30.49 -32.31 -42.65 28.92 10.57 28.77 107.84 8.55 29.75 109.51 coo -25.33 -42.26 31.79 -24.77 -40.56 30.70 4.75 28.44 103.45 6.59 28.31 104.44 1ro7_c03 source 1ro7 ALPHA-2,3/8-SIALYLTRANSFERASE : 4 hits 1ro7_c03 naa= 3 ULMN 3 1rtf_c06 TWO CHAIN TISSUE PLASMINOGEN ACTIVATuser 1 3 # 1 B 57 HIS B 210 HIS^? 25.92 O1 SO4 B 229 B 102 ASP B 208 ASP^? 25.58 O1 SO4 B 229 B 193 GLY B 89 GLY^? 16.96 O1 SO4 B 229 coo -4.60 27.52 42.88 -4.63 27.41 40.76 21.10 10.94 112.67 20.59 9.01 113.37 coo -0.27 31.24 43.51 -1.49 29.62 42.98 22.68 13.69 106.98 23.40 15.21 108.39 coo -6.81 22.81 34.74 -6.42 23.54 34.62 10.15 9.21 110.31 9.83 9.95 110.22 1rtf_c06 source 1rtf TWO CHAIN TISSUE PLASMINOGEN ACTIVATOR : 1 hits 1rtf_c06 naa= 3 ULMN 3 1s3i_c00 10-FORMYLTETRAHYDROFOLATE DEHYDROGENuser 1 3 # 1 A 104 ILE A 157 ILE^? 14.71 O4 SO4 A 229 A 106 HIS A 97 HIS^? 10.66 O4 SO4 A 229 A 142 ASP A 120 ASP^? 7.17 O2 SO4 A 229 coo -15.54 60.72 29.56 -16.71 61.53 30.10 13.08 53.40 105.43 12.79 54.23 104.32 coo -17.00 64.03 23.46 -18.21 65.65 22.90 7.24 52.04 104.47 6.71 50.18 103.67 coo -17.05 67.91 26.85 -18.66 66.47 26.76 9.29 47.78 99.49 7.80 47.36 98.01 ULMN 3 1s3i_c00 10-FORMYLTETRAHYDROFOLATE DEHYDROGENuser 2 3 # 2 A 104 ILE B 123 ILE^? 8.43 O3 SO4 B 229 A 106 HIS B 97 HIS^? 12.49 O3 SO4 B 229 A 142 ASP B 120 ASP^? 8.68 O3 SO4 B 229 coo -15.54 60.72 29.56 -16.71 61.53 30.10 -6.42 13.58 108.82 -5.38 13.87 107.96 coo -17.00 64.03 23.46 -18.21 65.65 22.90 -3.31 12.76 116.75 -2.66 14.35 115.55 coo -17.05 67.91 26.85 -18.66 66.47 26.76 -4.32 17.92 112.37 -3.28 16.49 113.53 ULMN 3 1s3i_c00 10-FORMYLTETRAHYDROFOLATE DEHYDROGENuser 3 3 # 3 A 104 ILE B 157 ILE^? 16.43 O3 SO4 B 229 A 106 HIS B 97 HIS^? 12.49 O3 SO4 B 229 A 142 ASP B 120 ASP^? 8.68 O3 SO4 B 229 coo -15.54 60.72 29.56 -16.71 61.53 30.10 -9.34 11.87 117.97 -9.22 10.84 117.20 coo -17.00 64.03 23.46 -18.21 65.65 22.90 -3.31 12.76 116.75 -2.66 14.35 115.55 coo -17.05 67.91 26.85 -18.66 66.47 26.76 -4.32 17.92 112.37 -3.28 16.49 113.53 1s3i_c00 source 1s3i 10-FORMYLTETRAHYDROFOLATE DEHYDROGENASE : 3 hits 1s3i_c00 naa= 3 ULMN 3 1sll_c00 SIALIDASE L user 1 3 # 1 318 ASP A 120 ASP^? 7.17 O2 SO4 A 229 595 GLU A 74 GLU^? 15.20 O4 SO4 A 231 713 TYR A 76 TYR^? 9.48 O2 SO4 A 229 coo 5.64 2.82 38.49 4.59 4.19 37.25 9.29 47.78 99.49 7.80 47.36 98.01 coo 4.35 13.73 37.63 3.39 12.18 36.55 6.06 51.55 88.92 5.14 51.51 86.98 coo 3.76 10.25 31.38 3.16 9.87 34.10 10.27 43.52 89.91 10.78 42.74 92.53 1sll_c00 source 1sll SIALIDASE L : 1 hits 1sll_c00 naa= 3 ULMN 3 1sme_c04 PLASMEPSIN II user 1 3 # 1 A 34 ASP A 2 ASP~? 14.67 O2 SO4 A 230 A 37 SER A -2 SER~? 12.73 O2 SO4 A 230 A 214 ASP A 39 ASP^? 5.87 O2 SO4 A 230 coo 51.75 60.57 19.10 52.05 60.90 21.19 -20.15 34.72 83.71 -22.03 35.03 82.80 coo 51.10 65.11 20.73 52.62 63.74 19.42 -23.89 33.29 87.49 -25.22 35.21 86.74 coo 48.59 58.89 25.78 50.13 59.74 24.61 -16.67 33.15 92.05 -17.20 32.80 93.99 ULMN 3 1sme_c04 PLASMEPSIN II user 2 3 # 2 A 34 ASP A 115 ASP^? 8.58 O1 SO4 A 229 A 37 SER A 140 SER^? 13.33 O1 SO4 A 229 A 214 ASP A 138 ASP^? 13.32 O1 SO4 A 229 coo 51.75 60.57 19.10 52.05 60.90 21.19 15.77 43.56 105.82 15.72 41.47 106.14 coo 51.10 65.11 20.73 52.62 63.74 19.42 16.67 42.99 109.88 16.46 41.74 111.93 coo 48.59 58.89 25.78 50.13 59.74 24.61 23.15 43.17 105.53 21.70 41.96 104.55 ULMN 3 1sme_c04 PLASMEPSIN II user 3 3 # 3 A 34 ASP B 115 ASP^? 13.85 O3 SO4 B 229 A 37 SER B 140 SER^? 18.74 O3 SO4 B 229 A 214 ASP B 138 ASP^? 17.24 O3 SO4 B 229 coo 51.75 60.57 19.10 52.05 60.90 21.19 -12.10 21.41 116.25 -11.91 23.51 116.16 coo 51.10 65.11 20.73 52.62 63.74 19.42 -13.55 22.77 120.12 -12.47 24.15 121.85 coo 48.59 58.89 25.78 50.13 59.74 24.61 -19.34 21.74 114.74 -17.84 23.07 113.94 1sme_c04 source 1sme PLASMEPSIN II : 3 hits 1sme_c04 naa= 3 ULMN 3 1sme_c05 PLASMEPSIN II user 1 3 # 1 B 34 ASP A 2 ASP~? 14.67 O2 SO4 A 230 B 37 SER A -2 SER~? 12.73 O2 SO4 A 230 B 214 ASP A 39 ASP^? 5.87 O2 SO4 A 230 coo 17.69 97.58 52.73 17.33 97.19 54.77 -20.15 34.72 83.71 -22.03 35.03 82.80 coo 20.67 100.44 55.84 20.21 98.51 54.45 -23.89 33.29 87.49 -25.22 35.21 86.74 coo 12.41 98.71 58.47 14.37 98.17 58.05 -16.67 33.15 92.05 -17.20 32.80 93.99 ULMN 3 1sme_c05 PLASMEPSIN II user 2 3 # 2 B 34 ASP A 115 ASP^? 8.58 O1 SO4 A 229 B 37 SER A 140 SER^? 13.33 O1 SO4 A 229 B 214 ASP A 138 ASP^? 13.32 O1 SO4 A 229 coo 17.69 97.58 52.73 17.33 97.19 54.77 15.77 43.56 105.82 15.72 41.47 106.14 coo 20.67 100.44 55.84 20.21 98.51 54.45 16.67 42.99 109.88 16.46 41.74 111.93 coo 12.41 98.71 58.47 14.37 98.17 58.05 23.15 43.17 105.53 21.70 41.96 104.55 ULMN 3 1sme_c05 PLASMEPSIN II user 3 3 # 3 B 34 ASP B 115 ASP^? 13.85 O3 SO4 B 229 B 37 SER B 118 SER^? 9.02 O3 SO4 B 229 B 214 ASP B 138 ASP^? 17.24 O3 SO4 B 229 coo 17.69 97.58 52.73 17.33 97.19 54.77 -12.10 21.41 116.25 -11.91 23.51 116.16 coo 20.67 100.44 55.84 20.21 98.51 54.45 -8.83 21.42 112.28 -7.48 20.01 113.71 coo 12.41 98.71 58.47 14.37 98.17 58.05 -19.34 21.74 114.74 -17.84 23.07 113.94 ULMN 3 1sme_c05 PLASMEPSIN II user 4 3 # 4 B 34 ASP B 115 ASP^? 13.85 O3 SO4 B 229 B 37 SER B 140 SER^? 18.74 O3 SO4 B 229 B 214 ASP B 138 ASP^? 17.24 O3 SO4 B 229 coo 17.69 97.58 52.73 17.33 97.19 54.77 -12.10 21.41 116.25 -11.91 23.51 116.16 coo 20.67 100.44 55.84 20.21 98.51 54.45 -13.55 22.77 120.12 -12.47 24.15 121.85 coo 12.41 98.71 58.47 14.37 98.17 58.05 -19.34 21.74 114.74 -17.84 23.07 113.94 1sme_c05 source 1sme PLASMEPSIN II : 4 hits 1sme_c05 naa= 3 ULMN 3 1ssx_c02 ALPHA-LYTIC PROTEASE user 1 3 # 1 A 57 HIS B 210 HIS^? 25.92 O1 SO4 B 229 A 102 ASP B 208 ASP^? 25.58 O1 SO4 B 229 A 193 GLY B 89 GLY^? 16.96 O1 SO4 B 229 coo 15.02 29.17 19.44 15.63 29.96 17.60 21.10 10.94 112.67 20.59 9.01 113.37 coo 19.67 30.58 22.61 18.30 29.87 21.17 22.68 13.69 106.98 23.40 15.21 108.39 coo 14.52 29.10 10.01 15.08 29.66 10.19 10.15 9.21 110.31 9.83 9.95 110.22 1ssx_c02 source 1ssx ALPHA-LYTIC PROTEASE : 1 hits 1ssx_c02 naa= 3 ULMN 3 1stc_c03 CAMP-DEPENDENT PROTEIN KINASE user 1 3 # 1 E 166 ASP A 2 ASP~? 14.67 O2 SO4 A 230 E 168 LYS A 4 LYS~? 17.43 O2 SO4 A 230 E 171 ASN A 3 ASN~? 10.01 O2 SO4 A 230 coo 5.36 16.20 22.10 3.88 17.00 23.31 -20.15 34.72 83.71 -22.03 35.03 82.80 coo 5.06 22.32 18.11 1.02 22.08 22.74 -16.16 29.06 84.50 -18.43 23.53 86.96 coo 6.68 21.78 22.39 5.28 20.74 23.60 -15.66 33.12 86.39 -15.82 35.16 86.97 ULMN 3 1stc_c03 CAMP-DEPENDENT PROTEIN KINASE user 2 3 # 2 E 166 ASP A 39 ASP^? 5.87 O2 SO4 A 230 E 168 LYS A 4 LYS~? 17.43 O2 SO4 A 230 E 171 ASN A 3 ASN~? 10.01 O2 SO4 A 230 coo 5.36 16.20 22.10 3.88 17.00 23.31 -16.67 33.15 92.05 -17.20 32.80 93.99 coo 5.06 22.32 18.11 1.02 22.08 22.74 -16.16 29.06 84.50 -18.43 23.53 86.96 coo 6.68 21.78 22.39 5.28 20.74 23.60 -15.66 33.12 86.39 -15.82 35.16 86.97 1stc_c03 source 1stc CAMP-DEPENDENT PROTEIN KINASE : 2 hits 1stc_c03 naa= 3 ULMN 3 1t0u_c01 URIDINE PHOSPHORYLASE user 1 3 # 1 B 8 HIS A 91 HIS^? 17.38 O4 SO4 A 229 B 80 GLU A 96 GLU^? 17.08 O4 SO4 A 229 B 223 ARG B 54 ARG^? -2.73 O1 SO4 B 229s coo -27.29 12.84 -47.54 -26.57 10.91 -47.95 -3.47 53.98 101.75 -2.43 55.80 101.90 coo -24.01 16.61 -49.84 -25.90 15.74 -49.71 1.22 55.68 105.58 1.14 56.60 103.71 coo -14.82 14.90 -18.49 -14.21 12.08 -19.40 2.04 21.87 100.04 0.47 20.79 102.47 ULMN 3 1t0u_c01 URIDINE PHOSPHORYLASE user 2 3 # 2 B 8 HIS A 91 HIS^? 17.38 O4 SO4 A 229 B 80 GLU A 96 GLU^? 17.08 O4 SO4 A 229 B 223 ARG B 117 ARG^? 15.21 O3 SO4 B 229 coo -27.29 12.84 -47.54 -26.57 10.91 -47.95 -3.47 53.98 101.75 -2.43 55.80 101.90 coo -24.01 16.61 -49.84 -25.90 15.74 -49.71 1.22 55.68 105.58 1.14 56.60 103.71 coo -14.82 14.90 -18.49 -14.21 12.08 -19.40 -11.94 27.43 114.35 -11.31 26.82 117.30 ULMN 3 1t0u_c01 URIDINE PHOSPHORYLASE user 3 3 # 3 B 8 HIS A 97 HIS^? 10.66 O4 SO4 A 229 B 80 GLU A 96 GLU^? 17.08 O4 SO4 A 229 B 223 ARG B 54 ARG^? -2.73 O1 SO4 B 229s coo -27.29 12.84 -47.54 -26.57 10.91 -47.95 7.24 52.04 104.47 6.71 50.18 103.67 coo -24.01 16.61 -49.84 -25.90 15.74 -49.71 1.22 55.68 105.58 1.14 56.60 103.71 coo -14.82 14.90 -18.49 -14.21 12.08 -19.40 2.04 21.87 100.04 0.47 20.79 102.47 ULMN 3 1t0u_c01 URIDINE PHOSPHORYLASE user 4 3 # 4 B 8 HIS A 97 HIS^? 10.66 O4 SO4 A 229 B 80 GLU A 96 GLU^? 17.08 O4 SO4 A 229 B 223 ARG B 117 ARG^? 15.21 O3 SO4 B 229 coo -27.29 12.84 -47.54 -26.57 10.91 -47.95 7.24 52.04 104.47 6.71 50.18 103.67 coo -24.01 16.61 -49.84 -25.90 15.74 -49.71 1.22 55.68 105.58 1.14 56.60 103.71 coo -14.82 14.90 -18.49 -14.21 12.08 -19.40 -11.94 27.43 114.35 -11.31 26.82 117.30 ULMN 3 1t0u_c01 URIDINE PHOSPHORYLASE user 5 3 # 5 B 8 HIS B 91 HIS^? 17.45 O3 SO4 B 229 B 80 GLU B 187 GLU^? 15.82 O1 SO4 B 229 B 223 ARG A 54 ARG^? -2.64 O2 SO4 A 229s coo -27.29 12.84 -47.54 -26.57 10.91 -47.95 5.92 11.10 116.67 5.40 9.21 117.42 coo -24.01 16.61 -49.84 -25.90 15.74 -49.71 5.79 8.67 109.77 5.71 6.74 108.88 coo -14.82 14.90 -18.49 -14.21 12.08 -19.40 5.30 36.31 96.12 6.03 38.74 97.87 ULMN 3 1t0u_c01 URIDINE PHOSPHORYLASE user 6 3 # 6 B 8 HIS B 91 HIS^? 17.45 O3 SO4 B 229 B 80 GLU B 187 GLU^? 15.82 O1 SO4 B 229 B 223 ARG B 111 ARG^? 27.08 O3 SO4 B 229 coo -27.29 12.84 -47.54 -26.57 10.91 -47.95 5.92 11.10 116.67 5.40 9.21 117.42 coo -24.01 16.61 -49.84 -25.90 15.74 -49.71 5.79 8.67 109.77 5.71 6.74 108.88 coo -14.82 14.90 -18.49 -14.21 12.08 -19.40 -24.28 12.69 119.80 -25.14 15.67 120.10 ULMN 3 1t0u_c01 URIDINE PHOSPHORYLASE user 7 3 # 7 B 8 HIS B 91 HIS^? 17.45 O3 SO4 B 229 B 80 GLU B 187 GLU^? 15.82 O1 SO4 B 229 B 223 ARG B 147 ARG^? 25.99 O3 SO4 B 229 coo -27.29 12.84 -47.54 -26.57 10.91 -47.95 5.92 11.10 116.67 5.40 9.21 117.42 coo -24.01 16.61 -49.84 -25.90 15.74 -49.71 5.79 8.67 109.77 5.71 6.74 108.88 coo -14.82 14.90 -18.49 -14.21 12.08 -19.40 -21.61 19.82 125.35 -22.38 21.70 123.03 ULMN 3 1t0u_c01 URIDINE PHOSPHORYLASE user 8 3 # 8 B 8 HIS B 97 HIS^? 12.49 O3 SO4 B 229 B 80 GLU B 96 GLU^? 19.06 O3 SO4 B 229 B 223 ARG B 193 ARG^? 19.35 O1 SO4 B 229 coo -27.29 12.84 -47.54 -26.57 10.91 -47.95 -3.31 12.76 116.75 -2.66 14.35 115.55 coo -24.01 16.61 -49.84 -25.90 15.74 -49.71 1.17 9.30 120.04 2.75 8.18 119.17 coo -14.82 14.90 -18.49 -14.21 12.08 -19.40 7.25 16.45 87.82 9.33 18.65 88.34 ULMN 3 1t0u_c01 URIDINE PHOSPHORYLASE user 9 3 # 9 B 8 HIS B 142 HIS^? 20.91 O3 SO4 B 229 B 80 GLU B 143 GLU^? 21.40 O3 SO4 B 229 B 223 ARG A 49 ARG^? -7.08 O1 SO4 A 229s coo -27.29 12.84 -47.54 -26.57 10.91 -47.95 -10.19 23.71 125.79 -8.10 23.78 126.04 coo -24.01 16.61 -49.84 -25.90 15.74 -49.71 -16.26 24.40 123.16 -17.08 25.33 121.37 coo -14.82 14.90 -18.49 -14.21 12.08 -19.40 10.25 36.07 104.69 11.36 37.50 107.24 ULMN 3 1t0u_c01 URIDINE PHOSPHORYLASE user 10 3 # 10 B 8 HIS B 142 HIS^? 20.91 O3 SO4 B 229 B 80 GLU B 143 GLU^? 21.40 O3 SO4 B 229 B 223 ARG B 70 ARG^? 17.55 O1 SO4 B 229 coo -27.29 12.84 -47.54 -26.57 10.91 -47.95 -10.19 23.71 125.79 -8.10 23.78 126.04 coo -24.01 16.61 -49.84 -25.90 15.74 -49.71 -16.26 24.40 123.16 -17.08 25.33 121.37 coo -14.82 14.90 -18.49 -14.21 12.08 -19.40 4.92 7.16 103.42 6.42 4.45 103.73 1t0u_c01 source 1t0u URIDINE PHOSPHORYLASE : 10 hits 1t0u_c01 naa= 3 ULMN 3 1t4c_c02 FORMYL-COENZYME A TRANSFERASE user 1 3 # 1 A 261 GLY A 89 GLY^? 17.01 O1 SO4 A 230 B 17 GLN A 184 GLN^? 16.35 O2 SO4 A 229 B 140 GLU A 87 GLU^? 17.80 O2 SO4 A 229 coo 61.49 19.86 5.96 61.52 19.46 5.16 -4.32 51.99 94.40 -3.98 51.29 94.76 coo 63.76 11.90 7.93 65.18 13.07 6.77 4.04 54.49 93.49 5.30 54.66 91.80 coo 66.44 19.00 7.38 67.69 17.67 8.37 -1.36 49.08 88.76 -0.85 50.53 87.31 ULMN 3 1t4c_c02 FORMYL-COENZYME A TRANSFERASE user 2 3 # 2 A 261 GLY A 89 GLY^? 17.01 O1 SO4 A 230 B 17 GLN A 184 GLN^? 16.35 O2 SO4 A 229 B 140 GLU A 187 GLU^? 15.53 O2 SO4 A 229 coo 61.49 19.86 5.96 61.52 19.46 5.16 -4.32 51.99 94.40 -3.98 51.29 94.76 coo 63.76 11.90 7.93 65.18 13.07 6.77 4.04 54.49 93.49 5.30 54.66 91.80 coo 66.44 19.00 7.38 67.69 17.67 8.37 -0.92 50.23 94.11 -1.07 51.49 92.41 ULMN 3 1t4c_c02 FORMYL-COENZYME A TRANSFERASE user 3 3 # 3 A 261 GLY A 95 GLY^? 12.39 O4 SO4 A 229 B 17 GLN A 98 GLN^? 19.44 O4 SO4 A 229 B 140 GLU A 96 GLU^? 17.08 O4 SO4 A 229 coo 61.49 19.86 5.96 61.52 19.46 5.16 0.86 50.72 105.80 1.49 50.48 105.32 coo 63.76 11.90 7.93 65.18 13.07 6.77 6.60 56.88 109.41 5.83 57.80 111.13 coo 66.44 19.00 7.38 67.69 17.67 8.37 1.22 55.68 105.58 1.14 56.60 103.71 ULMN 3 1t4c_c02 FORMYL-COENZYME A TRANSFERASE user 4 3 # 4 A 261 GLY A 222 GLY^? 13.51 O3 SO4 A 230 B 17 GLN A 224 GLN^? 4.72 O3 SO4 A 230 B 140 GLU A 223 GLU^? 14.08 O3 SO4 A 230 coo 61.49 19.86 5.96 61.52 19.46 5.16 -13.80 42.81 110.86 -14.29 43.18 110.33 coo 63.76 11.90 7.93 65.18 13.07 6.77 -16.13 39.14 104.70 -16.99 39.51 102.78 coo 66.44 19.00 7.38 67.69 17.67 8.37 -17.87 45.35 109.10 -19.33 45.72 110.62 ULMN 3 1t4c_c02 FORMYL-COENZYME A TRANSFERASE user 5 3 # 5 A 261 GLY A 222 GLY^? 13.51 O3 SO4 A 230 B 17 GLN A 224 GLN^? 4.72 O3 SO4 A 230 B 140 GLU A 225 GLU^? 13.76 O3 SO4 A 230 coo 61.49 19.86 5.96 61.52 19.46 5.16 -13.80 42.81 110.86 -14.29 43.18 110.33 coo 63.76 11.90 7.93 65.18 13.07 6.77 -16.13 39.14 104.70 -16.99 39.51 102.78 coo 66.44 19.00 7.38 67.69 17.67 8.37 -14.25 35.84 110.00 -12.75 37.08 110.88 ULMN 3 1t4c_c02 FORMYL-COENZYME A TRANSFERASE user 6 3 # 6 A 261 GLY B 89 GLY^? 16.96 O1 SO4 B 229 B 17 GLN B 184 GLN^? 15.80 O1 SO4 B 229 B 140 GLU B 87 GLU^? 17.71 O1 SO4 B 229 coo 61.49 19.86 5.96 61.52 19.46 5.16 10.15 9.21 110.31 9.83 9.95 110.22 coo 63.76 11.90 7.93 65.18 13.07 6.77 1.89 5.54 107.57 1.24 4.64 105.75 coo 66.44 19.00 7.38 67.69 17.67 8.37 10.05 8.18 103.44 9.48 6.19 103.45 ULMN 3 1t4c_c02 FORMYL-COENZYME A TRANSFERASE user 7 3 # 7 A 261 GLY B 95 GLY^? 13.84 O3 SO4 B 229 B 17 GLN B 98 GLN^? 22.18 O3 SO4 B 229 B 140 GLU B 96 GLU^? 19.06 O3 SO4 B 229 coo 61.49 19.86 5.96 61.52 19.46 5.16 2.66 14.51 117.22 2.05 14.37 116.70 coo 63.76 11.90 7.93 65.18 13.07 6.77 -3.58 9.76 123.54 -3.24 10.30 125.57 coo 66.44 19.00 7.38 67.69 17.67 8.37 1.17 9.30 120.04 2.75 8.18 119.17 ULMN 3 1t4c_c02 FORMYL-COENZYME A TRANSFERASE user 8 3 # 8 A 261 GLY B 222 GLY^? 22.29 O3 SO4 B 229 B 17 GLN B 224 GLN^? 22.59 O1 SO4 A 229 B 140 GLU B 223 GLU^? 27.95 O3 SO4 B 229 coo 61.49 19.86 5.96 61.52 19.46 5.16 12.74 26.32 121.64 13.39 25.82 121.72 coo 63.76 11.90 7.93 65.18 13.07 6.77 17.58 26.13 117.01 19.05 25.80 115.50 coo 66.44 19.00 7.38 67.69 17.67 8.37 18.86 25.12 122.56 20.16 23.43 122.41 1t4c_c02 source 1t4c FORMYL-COENZYME A TRANSFERASE : 8 hits 1t4c_c02 naa= 3 ULMN 3 1ti6_c06 PYROGALLOL HYDROXYTRANSFERASE SMALL user 1 3 # 1 A 144 HIS A 215 HIS^? -3.69 O3 SO4 A 230s A 174 ASP A 39 ASP^? 5.87 O2 SO4 A 230 A 404 TYR A 228 TYR^? 12.29 O4 SO4 B 229 coo 18.51 -77.38 -39.07 19.76 -78.71 -38.04 -13.92 40.67 99.66 -13.69 38.69 100.32 coo 27.58 -77.64 -39.00 25.78 -78.57 -39.64 -16.67 33.15 92.05 -17.20 32.80 93.99 coo 14.43 -85.16 -40.78 16.47 -83.93 -39.31 -6.50 33.95 102.32 -5.45 34.14 104.92 ULMN 3 1ti6_c06 PYROGALLOL HYDROXYTRANSFERASE SMALL user 2 3 # 2 A 144 HIS B 215 HIS^? 20.82 O1 SO4 B 229 A 174 ASP B 39 ASP^? 20.66 O1 SO4 A 229 A 404 TYR B 228 TYR^? 12.23 O3 SO4 A 229 coo 18.51 -77.38 -39.07 19.76 -78.71 -38.04 17.61 22.77 112.56 17.48 24.80 112.05 coo 27.58 -77.64 -39.00 25.78 -78.57 -39.64 23.84 25.31 104.29 24.42 26.93 105.50 coo 14.43 -85.16 -40.78 16.47 -83.93 -39.31 10.57 28.77 107.84 8.55 29.75 109.51 1ti6_c06 source 1ti6 PYROGALLOL HYDROXYTRANSFERASE SMALL SUBUNIT : 2 hits 1ti6_c06 naa= 3 ULMN 3 1ti6_c07 PYROGALLOL HYDROXYTRANSFERASE SMALL user 1 3 # 1 C 144 HIS A 215 HIS^? -3.69 O3 SO4 A 230s C 174 ASP A 39 ASP^? 5.87 O2 SO4 A 230 C 404 TYR A 228 TYR^? 12.29 O4 SO4 B 229 coo -15.55 89.08 -13.38 -16.05 90.98 -14.11 -13.92 40.67 99.66 -13.69 38.69 100.32 coo -23.98 91.31 -16.16 -21.94 90.86 -16.65 -16.67 33.15 92.05 -17.20 32.80 93.99 coo -8.89 91.06 -18.89 -11.23 91.99 -17.67 -6.50 33.95 102.32 -5.45 34.14 104.92 ULMN 3 1ti6_c07 PYROGALLOL HYDROXYTRANSFERASE SMALL user 2 3 # 2 C 144 HIS B 215 HIS^? 20.82 O1 SO4 B 229 C 174 ASP B 39 ASP^? 20.66 O1 SO4 A 229 C 404 TYR B 228 TYR^? 12.23 O3 SO4 A 229 coo -15.55 89.08 -13.38 -16.05 90.98 -14.11 17.61 22.77 112.56 17.48 24.80 112.05 coo -23.98 91.31 -16.16 -21.94 90.86 -16.65 23.84 25.31 104.29 24.42 26.93 105.50 coo -8.89 91.06 -18.89 -11.23 91.99 -17.67 10.57 28.77 107.84 8.55 29.75 109.51 1ti6_c07 source 1ti6 PYROGALLOL HYDROXYTRANSFERASE SMALL SUBUNIT : 2 hits 1ti6_c07 naa= 3 ULMN 3 1ti6_c08 PYROGALLOL HYDROXYTRANSFERASE SMALL user 1 3 # 1 E 144 HIS A 215 HIS^? -3.69 O3 SO4 A 230s E 174 ASP A 39 ASP^? 5.87 O2 SO4 A 230 E 404 TYR A 228 TYR^? 12.29 O4 SO4 B 229 coo -7.53-107.59 75.19 -8.14-106.04 76.47 -13.92 40.67 99.66 -13.69 38.69 100.32 coo -3.55-105.39 83.13 -5.21-106.24 82.09 -16.67 33.15 92.05 -17.20 32.80 93.99 coo -16.31-108.78 75.35 -14.20-107.14 76.16 -6.50 33.95 102.32 -5.45 34.14 104.92 ULMN 3 1ti6_c08 PYROGALLOL HYDROXYTRANSFERASE SMALL user 2 3 # 2 E 144 HIS B 215 HIS^? 20.82 O1 SO4 B 229 E 174 ASP B 39 ASP^? 20.66 O1 SO4 A 229 E 404 TYR B 228 TYR^? 12.23 O3 SO4 A 229 coo -7.53-107.59 75.19 -8.14-106.04 76.47 17.61 22.77 112.56 17.48 24.80 112.05 coo -3.55-105.39 83.13 -5.21-106.24 82.09 23.84 25.31 104.29 24.42 26.93 105.50 coo -16.31-108.78 75.35 -14.20-107.14 76.16 10.57 28.77 107.84 8.55 29.75 109.51 1ti6_c08 source 1ti6 PYROGALLOL HYDROXYTRANSFERASE SMALL SUBUNIT : 2 hits 1ti6_c08 naa= 3 ULMN 3 1ti6_c09 PYROGALLOL HYDROXYTRANSFERASE SMALL user 1 3 # 1 G 144 HIS A 215 HIS^? -3.69 O3 SO4 A 230s G 174 ASP A 39 ASP^? 5.87 O2 SO4 A 230 G 404 TYR A 228 TYR^? 12.29 O4 SO4 B 229 coo 60.48-101.16 45.95 60.56-101.20 43.85 -13.92 40.67 99.66 -13.69 38.69 100.32 coo 58.10-108.15 40.62 59.57-106.86 41.51 -16.67 33.15 92.05 -17.20 32.80 93.99 coo 68.57 -97.60 44.49 66.22 -98.53 43.28 -6.50 33.95 102.32 -5.45 34.14 104.92 ULMN 3 1ti6_c09 PYROGALLOL HYDROXYTRANSFERASE SMALL user 2 3 # 2 G 144 HIS B 215 HIS^? 20.82 O1 SO4 B 229 G 174 ASP B 39 ASP^? 20.66 O1 SO4 A 229 G 404 TYR B 228 TYR^? 12.23 O3 SO4 A 229 coo 60.48-101.16 45.95 60.56-101.20 43.85 17.61 22.77 112.56 17.48 24.80 112.05 coo 58.10-108.15 40.62 59.57-106.86 41.51 23.84 25.31 104.29 24.42 26.93 105.50 coo 68.57 -97.60 44.49 66.22 -98.53 43.28 10.57 28.77 107.84 8.55 29.75 109.51 1ti6_c09 source 1ti6 PYROGALLOL HYDROXYTRANSFERASE SMALL SUBUNIT : 2 hits 1ti6_c09 naa= 3 ULMN 3 1ti6_c10 PYROGALLOL HYDROXYTRANSFERASE SMALL user 1 3 # 1 I 144 HIS A 215 HIS^? -3.69 O3 SO4 A 230s I 174 ASP A 39 ASP^? 5.87 O2 SO4 A 230 I 404 TYR A 228 TYR^? 12.29 O4 SO4 B 229 coo -12.68 -17.50 91.59 -12.79 -19.47 92.31 -13.92 40.67 99.66 -13.69 38.69 100.32 coo -20.27 -21.99 93.95 -18.47 -20.99 94.50 -16.67 33.15 92.05 -17.20 32.80 93.99 coo -5.95 -17.59 97.43 -7.86 -19.17 96.13 -6.50 33.95 102.32 -5.45 34.14 104.92 ULMN 3 1ti6_c10 PYROGALLOL HYDROXYTRANSFERASE SMALL user 2 3 # 2 I 144 HIS B 215 HIS^? 20.82 O1 SO4 B 229 I 174 ASP B 39 ASP^? 20.66 O1 SO4 A 229 I 404 TYR B 228 TYR^? 12.23 O3 SO4 A 229 coo -12.68 -17.50 91.59 -12.79 -19.47 92.31 17.61 22.77 112.56 17.48 24.80 112.05 coo -20.27 -21.99 93.95 -18.47 -20.99 94.50 23.84 25.31 104.29 24.42 26.93 105.50 coo -5.95 -17.59 97.43 -7.86 -19.17 96.13 10.57 28.77 107.84 8.55 29.75 109.51 1ti6_c10 source 1ti6 PYROGALLOL HYDROXYTRANSFERASE SMALL SUBUNIT : 2 hits 1ti6_c10 naa= 3 ULMN 3 1ti6_c11 PYROGALLOL HYDROXYTRANSFERASE SMALL user 1 3 # 1 K 144 HIS A 215 HIS^? -3.69 O3 SO4 A 230s K 174 ASP A 39 ASP^? 5.87 O2 SO4 A 230 K 404 TYR A 228 TYR^? 12.29 O4 SO4 B 229 coo 100.18 26.45 -1.32 99.24 26.12 0.53 -13.92 40.67 99.66 -13.69 38.69 100.32 coo 102.36 30.86 6.31 102.45 29.08 5.12 -16.67 33.15 92.05 -17.20 32.80 93.99 coo 99.93 17.48 -0.85 99.14 19.86 0.39 -6.50 33.95 102.32 -5.45 34.14 104.92 ULMN 3 1ti6_c11 PYROGALLOL HYDROXYTRANSFERASE SMALL user 2 3 # 2 K 144 HIS B 215 HIS^? 20.82 O1 SO4 B 229 K 174 ASP B 39 ASP^? 20.66 O1 SO4 A 229 K 404 TYR B 228 TYR^? 12.23 O3 SO4 A 229 coo 100.18 26.45 -1.32 99.24 26.12 0.53 17.61 22.77 112.56 17.48 24.80 112.05 coo 102.36 30.86 6.31 102.45 29.08 5.12 23.84 25.31 104.29 24.42 26.93 105.50 coo 99.93 17.48 -0.85 99.14 19.86 0.39 10.57 28.77 107.84 8.55 29.75 109.51 1ti6_c11 source 1ti6 PYROGALLOL HYDROXYTRANSFERASE SMALL SUBUNIT : 2 hits 1ti6_c11 naa= 3 ULMN 3 1tz3_c02 PUTATIVE SUGAR KINASE user 1 3 # 1 A 250 ALA A 0 ALA~? 9.58 O2 SO4 A 230 A 251 GLY A 40 GLY^? 11.26 O2 SO4 A 230 A 252 ASP A 39 ASP^? 5.87 O2 SO4 A 230 coo 27.46 -16.39 -4.13 28.50 -15.30 -4.20 -19.24 32.22 88.85 -19.63 31.35 90.00 coo 24.64 -14.61 -2.31 24.63 -15.34 -2.63 -15.87 29.48 89.40 -15.10 29.70 89.61 coo 21.52 -17.78 -4.15 20.67 -16.16 -5.23 -16.67 33.15 92.05 -17.20 32.80 93.99 ULMN 3 1tz3_c02 PUTATIVE SUGAR KINASE user 2 3 # 2 A 250 ALA A 51 ALA^? -4.08 O2 SO4 A 229s A 251 GLY A 50 GLY^? -3.07 O1 SO4 A 229s A 252 ASP A 52 ASP^? 8.69 O1 SO4 A 229 coo 27.46 -16.39 -4.13 28.50 -15.30 -4.20 9.12 39.93 96.18 9.00 41.44 96.17 coo 24.64 -14.61 -2.31 24.63 -15.34 -2.63 10.35 37.93 99.14 9.60 37.73 98.91 coo 21.52 -17.78 -4.15 20.67 -16.16 -5.23 13.74 39.26 94.65 14.56 41.23 94.45 ULMN 3 1tz3_c02 PUTATIVE SUGAR KINASE user 3 3 # 3 A 250 ALA B 51 ALA^? -4.32 O1 SO4 B 229s A 251 GLY B 50 GLY^? -3.38 O2 SO4 B 229s A 252 ASP B 52 ASP^? 8.63 O2 SO4 B 229 coo 27.46 -16.39 -4.13 28.50 -15.30 -4.20 -1.79 18.53 100.38 -1.87 17.27 101.22 coo 24.64 -14.61 -2.31 24.63 -15.34 -2.63 -3.93 21.64 100.92 -3.13 21.79 100.99 coo 21.52 -17.78 -4.15 20.67 -16.16 -5.23 -5.20 17.74 96.96 -6.16 15.91 97.49 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 0 ALA~? 9.58 O2 SO4 A 230 B 251 GLY A 40 GLY^? 11.26 O2 SO4 A 230 B 252 ASP A 39 ASP^? 5.87 O2 SO4 A 230 coo 16.60 -23.26 -48.35 15.78 -24.48 -48.70 -19.24 32.22 88.85 -19.63 31.35 90.00 coo 14.17 -20.48 -49.26 14.89 -20.41 -48.91 -15.87 29.48 89.40 -15.10 29.70 89.61 coo 16.67 -17.59 -46.30 15.00 -17.34 -45.02 -16.67 33.15 92.05 -17.20 32.80 93.99 ULMN 3 1tz3_c03 PUTATIVE SUGAR KINASE user 2 3 # 2 B 250 ALA A 51 ALA^? -4.08 O2 SO4 A 229s B 251 GLY A 50 GLY^? -3.07 O1 SO4 A 229s B 252 ASP A 52 ASP^? 8.69 O1 SO4 A 229 coo 16.60 -23.26 -48.35 15.78 -24.48 -48.70 9.12 39.93 96.18 9.00 41.44 96.17 coo 14.17 -20.48 -49.26 14.89 -20.41 -48.91 10.35 37.93 99.14 9.60 37.73 98.91 coo 16.67 -17.59 -46.30 15.00 -17.34 -45.02 13.74 39.26 94.65 14.56 41.23 94.45 ULMN 3 1tz3_c03 PUTATIVE SUGAR KINASE user 3 3 # 3 B 250 ALA B 51 ALA^? -4.32 O1 SO4 B 229s B 251 GLY B 50 GLY^? -3.38 O2 SO4 B 229s B 252 ASP B 52 ASP^? 8.63 O2 SO4 B 229 coo 16.60 -23.26 -48.35 15.78 -24.48 -48.70 -1.79 18.53 100.38 -1.87 17.27 101.22 coo 14.17 -20.48 -49.26 14.89 -20.41 -48.91 -3.93 21.64 100.92 -3.13 21.79 100.99 coo 16.67 -17.59 -46.30 15.00 -17.34 -45.02 -5.20 17.74 96.96 -6.16 15.91 97.49 1tz3_c03 source 1tz3 PUTATIVE SUGAR KINASE : 3 hits 1tz3_c03 naa= 3 ULMN 3 1uaq_c00 CYTOSINE DEAMINASE user 1 3 # 1 A 64 GLU A 105 GLU^? 30.13 O4 SO4 A 229 A 89 SER A 106 SER^? 27.12 O4 SO4 A 229 A 91 CYH A 101 CYH^? 24.07 O4 SO4 A 229 coo -18.27 -3.12 10.92 -16.30 -3.26 10.07 20.63 62.21 117.15 22.45 61.29 117.66 coo -16.83 -3.83 3.62 -17.28 -5.61 2.05 17.60 62.70 111.68 15.95 64.47 111.44 coo -13.84 -8.33 7.58 -13.00 -8.13 10.24 16.31 57.21 114.20 15.99 59.89 113.39 ULMN 3 1uaq_c00 CYTOSINE DEAMINASE user 2 3 # 2 A 64 GLU B 105 GLU^? 33.36 O3 SO4 B 229 A 89 SER B 106 SER^? 29.18 O3 SO4 B 229 A 91 CYH B 101 CYH^? 26.55 O3 SO4 B 229 coo -18.27 -3.12 10.92 -16.30 -3.26 10.07 -18.43 5.03 129.05 -20.50 4.52 128.90 coo -16.83 -3.83 3.62 -17.28 -5.61 2.05 -14.89 3.19 124.25 -13.21 1.70 125.19 coo -13.84 -8.33 7.58 -13.00 -8.13 10.24 -13.61 9.02 126.06 -13.33 6.29 125.42 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 105 GLU^? 30.13 O4 SO4 A 229 B 89 SER A 106 SER^? 27.12 O4 SO4 A 229 B 91 CYH A 101 CYH^? 24.07 O4 SO4 A 229 coo -13.67 -17.67 21.70 -15.74 -17.78 22.24 20.63 62.21 117.15 22.45 61.29 117.66 coo -17.71 -23.81 20.93 -18.57 -24.92 18.94 17.60 62.70 111.68 15.95 64.47 111.44 coo -20.38 -18.31 18.13 -20.06 -15.64 18.96 16.31 57.21 114.20 15.99 59.89 113.39 ULMN 3 1uaq_c01 CYTOSINE DEAMINASE user 2 3 # 2 B 64 GLU B 105 GLU^? 33.36 O3 SO4 B 229 B 89 SER B 106 SER^? 29.18 O3 SO4 B 229 B 91 CYH B 101 CYH^? 26.55 O3 SO4 B 229 coo -13.67 -17.67 21.70 -15.74 -17.78 22.24 -18.43 5.03 129.05 -20.50 4.52 128.90 coo -17.71 -23.81 20.93 -18.57 -24.92 18.94 -14.89 3.19 124.25 -13.21 1.70 125.19 coo -20.38 -18.31 18.13 -20.06 -15.64 18.96 -13.61 9.02 126.06 -13.33 6.29 125.42 1uaq_c01 source 1uaq CYTOSINE DEAMINASE : 2 hits 1uaq_c01 naa= 3 ULMN 3 1uk7_c00 3.07.01.0009 user 1 3 # 1 A 103 ALA A 214 ALA^? 7.16 O1 SO4 A 230 A 224 ASP A 208 ASP^? 7.66 O1 SO4 A 230 A 252 HIS A 210 HIS^? 9.95 O1 SO4 A 230 coo 10.74 41.88 -3.62 10.55 41.61 -5.11 -14.84 46.79 99.08 -16.31 46.97 98.48 coo 7.52 49.49 -8.72 7.95 47.43 -8.44 -15.69 43.98 89.75 -16.79 45.74 90.29 coo 9.83 44.81 -9.44 9.32 43.66 -7.77 -16.02 49.92 93.97 -17.27 50.59 95.51 ULMN 3 1uk7_c00 3.07.01.0009 user 2 3 # 2 A 103 ALA B 185 ALA^? 10.94 O1 SO4 B 229 A 224 ASP B 120 ASP^? 8.68 O3 SO4 B 229 A 252 HIS B 97 HIS^? 12.49 O3 SO4 B 229 coo 10.74 41.88 -3.62 10.55 41.61 -5.11 0.02 10.85 109.56 -1.39 10.88 110.17 coo 7.52 49.49 -8.72 7.95 47.43 -8.44 -4.32 17.92 112.37 -3.28 16.49 113.53 coo 9.83 44.81 -9.44 9.32 43.66 -7.77 -3.31 12.76 116.75 -2.66 14.35 115.55 ULMN 3 1uk7_c00 3.07.01.0009 user 3 3 # 3 A 103 ALA B 214 ALA^? 24.06 O1 SO4 B 229 A 224 ASP B 208 ASP^? 25.58 O1 SO4 B 229 A 252 HIS B 210 HIS^? 25.92 O1 SO4 B 229 coo 10.74 41.88 -3.62 10.55 41.61 -5.11 17.92 17.53 115.89 19.42 17.18 116.11 coo 7.52 49.49 -8.72 7.95 47.43 -8.44 22.68 13.69 106.98 23.40 15.21 108.39 coo 9.83 44.81 -9.44 9.32 43.66 -7.77 21.10 10.94 112.67 20.59 9.01 113.37 1uk7_c00 source 1uk7 3.07.01.0009 : 3 hits 1uk7_c00 naa= 3 ULMN 3 1uok_c03 OLIGO-1,6-GLUCOSIDASE user 1 3 # 1 199 ASP A 133 ASP^? 29.47 O1 SO4 A 229 255 GLU A 135 GLU^? 26.04 O1 SO4 A 229 329 ASP A 154 ASP^? 25.59 O1 SO4 A 229 coo 49.16 35.16 15.19 51.08 34.43 15.65 28.68 60.10 102.11 30.08 60.54 100.57 coo 52.57 37.12 10.17 53.37 35.95 11.75 28.90 53.95 105.73 29.85 54.07 107.68 coo 59.16 37.82 13.95 57.63 37.03 15.12 22.41 56.72 112.09 24.50 56.74 112.55 1uok_c03 source 1uok OLIGO-1,6-GLUCOSIDASE : 1 hits 1uok_c03 naa= 3 ULMN 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 1 3 # 1 199 ASP A 2 ASP~? 14.67 O2 SO4 A 230 218 GLU A 74 GLU^? 15.20 O4 SO4 A 231 329 ASP A 39 ASP^? 5.87 O2 SO4 A 230 coo 49.16 35.16 15.19 51.08 34.43 15.65 -20.15 34.72 83.71 -22.03 35.03 82.80 coo 70.09 11.71 8.46 70.56 12.89 6.77 6.06 51.55 88.92 5.14 51.51 86.98 coo 59.16 37.82 13.95 57.63 37.03 15.12 -16.67 33.15 92.05 -17.20 32.80 93.99 ULMN 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 2 3 # 2 199 ASP A 11 ASP.? 21.96 O2 SO4 A 231 218 GLU A 28 GLU^? 15.00 O4 SO4 A 229 329 ASP A 196 ASP^? 13.16 O4 SO4 A 231 coo 49.16 35.16 15.19 51.08 34.43 15.65 -4.20 26.29 77.28 -4.78 26.04 75.24 coo 70.09 11.71 8.46 70.56 12.89 6.77 -5.36 37.58 106.38 -6.12 37.04 108.31 coo 59.16 37.82 13.95 57.63 37.03 15.12 1.09 35.34 80.24 -0.14 33.75 80.95 ULMN 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 3 3 # 3 199 ASP A 11 ASP.? 21.96 O2 SO4 A 231 218 GLU B 74 GLU^? 16.10 O1 SO4 B 229 329 ASP A 64 ASP^? 16.48 O4 SO4 A 231 coo 49.16 35.16 15.19 51.08 34.43 15.65 -4.20 26.29 77.28 -4.78 26.04 75.24 coo 70.09 11.71 8.46 70.56 12.89 6.77 0.29 5.91 102.04 1.64 4.74 100.89 coo 59.16 37.82 13.95 57.63 37.03 15.12 -0.89 32.13 86.35 -1.06 30.06 86.04 ULMN 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 4 3 # 4 199 ASP A 52 ASP^? 8.69 O1 SO4 A 229 218 GLU A 225 GLU^? 13.76 O3 SO4 A 230 329 ASP A 120 ASP^? 7.17 O2 SO4 A 229 coo 49.16 35.16 15.19 51.08 34.43 15.65 13.74 39.26 94.65 14.56 41.23 94.45 coo 70.09 11.71 8.46 70.56 12.89 6.77 -14.25 35.84 110.00 -12.75 37.08 110.88 coo 59.16 37.82 13.95 57.63 37.03 15.12 9.29 47.78 99.49 7.80 47.36 98.01 ULMN 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 5 3 # 5 199 ASP A 115 ASP^? 8.58 O1 SO4 A 229 218 GLU A 223 GLU^? 14.08 O3 SO4 A 230 329 ASP A 120 ASP^? 7.17 O2 SO4 A 229 coo 49.16 35.16 15.19 51.08 34.43 15.65 15.77 43.56 105.82 15.72 41.47 106.14 coo 70.09 11.71 8.46 70.56 12.89 6.77 -17.87 45.35 109.10 -19.33 45.72 110.62 coo 59.16 37.82 13.95 57.63 37.03 15.12 9.29 47.78 99.49 7.80 47.36 98.01 ULMN 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 6 3 # 6 199 ASP A 115 ASP^? 8.58 O1 SO4 A 229 218 GLU A 225 GLU^? 13.76 O3 SO4 A 230 329 ASP A 120 ASP^? 7.17 O2 SO4 A 229 coo 49.16 35.16 15.19 51.08 34.43 15.65 15.77 43.56 105.82 15.72 41.47 106.14 coo 70.09 11.71 8.46 70.56 12.89 6.77 -14.25 35.84 110.00 -12.75 37.08 110.88 coo 59.16 37.82 13.95 57.63 37.03 15.12 9.29 47.78 99.49 7.80 47.36 98.01 ULMN 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 7 3 # 7 199 ASP A 120 ASP^? 7.17 O2 SO4 A 229 218 GLU B 56 GLU^? 14.37 O2 SO4 B 229 329 ASP A 52 ASP^? 8.69 O1 SO4 A 229 coo 49.16 35.16 15.19 51.08 34.43 15.65 9.29 47.78 99.49 7.80 47.36 98.01 coo 70.09 11.71 8.46 70.56 12.89 6.77 -2.86 18.57 90.31 -4.55 19.76 89.87 coo 59.16 37.82 13.95 57.63 37.03 15.12 13.74 39.26 94.65 14.56 41.23 94.45 ULMN 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 8 3 # 8 199 ASP A 131 ASP^? 27.86 O1 SO4 A 231 218 GLU A 163 GLU^? 27.84 O4 SO4 A 229 329 ASP A 126 ASP^? 16.24 O1 SO4 A 229 coo 49.16 35.16 15.19 51.08 34.43 15.65 23.62 62.30 95.31 25.14 61.71 93.92 coo 70.09 11.71 8.46 70.56 12.89 6.77 3.56 59.76 119.79 1.89 60.37 121.02 coo 59.16 37.82 13.95 57.63 37.03 15.12 18.12 53.54 96.53 19.31 51.77 96.80 ULMN 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 9 3 # 9 199 ASP A 131 ASP^? 27.86 O1 SO4 A 231 218 GLU A 163 GLU^? 27.84 O4 SO4 A 229 329 ASP A 133 ASP^? 29.47 O1 SO4 A 229 coo 49.16 35.16 15.19 51.08 34.43 15.65 23.62 62.30 95.31 25.14 61.71 93.92 coo 70.09 11.71 8.46 70.56 12.89 6.77 3.56 59.76 119.79 1.89 60.37 121.02 coo 59.16 37.82 13.95 57.63 37.03 15.12 28.68 60.10 102.11 30.08 60.54 100.57 ULMN 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 10 3 # 10 199 ASP A 131 ASP^? 27.86 O1 SO4 A 231 218 GLU A 165 GLU^? 22.62 O4 SO4 A 229 329 ASP A 126 ASP^? 16.24 O1 SO4 A 229 coo 49.16 35.16 15.19 51.08 34.43 15.65 23.62 62.30 95.31 25.14 61.71 93.92 coo 70.09 11.71 8.46 70.56 12.89 6.77 6.08 50.50 121.81 4.00 50.92 121.97 coo 59.16 37.82 13.95 57.63 37.03 15.12 18.12 53.54 96.53 19.31 51.77 96.80 ULMN 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 11 3 # 11 199 ASP A 133 ASP^? 29.47 O1 SO4 A 229 218 GLU A 56 GLU^? 10.40 O3 SO4 A 231 329 ASP A 131 ASP^? 27.86 O1 SO4 A 231 coo 49.16 35.16 15.19 51.08 34.43 15.65 28.68 60.10 102.11 30.08 60.54 100.57 coo 70.09 11.71 8.46 70.56 12.89 6.77 14.22 34.54 89.57 15.78 33.95 90.89 coo 59.16 37.82 13.95 57.63 37.03 15.12 23.62 62.30 95.31 25.14 61.71 93.92 ULMN 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 12 3 # 12 199 ASP A 133 ASP^? 29.47 O1 SO4 A 229 218 GLU A 187 GLU^? 15.53 O2 SO4 A 229 329 ASP A 131 ASP^? 27.86 O1 SO4 A 231 coo 49.16 35.16 15.19 51.08 34.43 15.65 28.68 60.10 102.11 30.08 60.54 100.57 coo 70.09 11.71 8.46 70.56 12.89 6.77 -0.92 50.23 94.11 -1.07 51.49 92.41 coo 59.16 37.82 13.95 57.63 37.03 15.12 23.62 62.30 95.31 25.14 61.71 93.92 ULMN 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 13 3 # 13 199 ASP A 133 ASP^? 29.47 O1 SO4 A 229 218 GLU A 187 GLU^? 15.53 O2 SO4 A 229 329 ASP A 154 ASP^? 25.59 O1 SO4 A 229 coo 49.16 35.16 15.19 51.08 34.43 15.65 28.68 60.10 102.11 30.08 60.54 100.57 coo 70.09 11.71 8.46 70.56 12.89 6.77 -0.92 50.23 94.11 -1.07 51.49 92.41 coo 59.16 37.82 13.95 57.63 37.03 15.12 22.41 56.72 112.09 24.50 56.74 112.55 1uok_c04 source 1uok OLIGO-1,6-GLUCOSIDASE : 13 hits 1uok_c04 naa= 3 ULMN 3 1uok_c05 OLIGO-1,6-GLUCOSIDASE user 1 3 # 1 199 ASP A 39 ASP^? 5.87 O2 SO4 A 230 242 GLU B 56 GLU^? 14.37 O2 SO4 B 229 329 ASP A 208 ASP^? 7.66 O1 SO4 A 230 coo 49.16 35.16 15.19 51.08 34.43 15.65 -16.67 33.15 92.05 -17.20 32.80 93.99 coo 30.42 34.74 5.00 29.09 35.09 3.38 -2.86 18.57 90.31 -4.55 19.76 89.87 coo 59.16 37.82 13.95 57.63 37.03 15.12 -15.69 43.98 89.75 -16.79 45.74 90.29 ULMN 3 1uok_c05 OLIGO-1,6-GLUCOSIDASE user 2 3 # 2 199 ASP A 64 ASP^? 16.48 O4 SO4 A 231 242 GLU A 28 GLU^? 15.00 O4 SO4 A 229 329 ASP A 11 ASP.? 21.96 O2 SO4 A 231 coo 49.16 35.16 15.19 51.08 34.43 15.65 -0.89 32.13 86.35 -1.06 30.06 86.04 coo 30.42 34.74 5.00 29.09 35.09 3.38 -5.36 37.58 106.38 -6.12 37.04 108.31 coo 59.16 37.82 13.95 57.63 37.03 15.12 -4.20 26.29 77.28 -4.78 26.04 75.24 ULMN 3 1uok_c05 OLIGO-1,6-GLUCOSIDASE user 3 3 # 3 199 ASP A 64 ASP^? 16.48 O4 SO4 A 231 242 GLU A 74 GLU^? 15.20 O4 SO4 A 231 329 ASP A 11 ASP.? 21.96 O2 SO4 A 231 coo 49.16 35.16 15.19 51.08 34.43 15.65 -0.89 32.13 86.35 -1.06 30.06 86.04 coo 30.42 34.74 5.00 29.09 35.09 3.38 6.06 51.55 88.92 5.14 51.51 86.98 coo 59.16 37.82 13.95 57.63 37.03 15.12 -4.20 26.29 77.28 -4.78 26.04 75.24 ULMN 3 1uok_c05 OLIGO-1,6-GLUCOSIDASE user 4 3 # 4 199 ASP A 64 ASP^? 16.48 O4 SO4 A 231 242 GLU A 187 GLU^? 15.53 O2 SO4 A 229 329 ASP A 11 ASP.? 21.96 O2 SO4 A 231 coo 49.16 35.16 15.19 51.08 34.43 15.65 -0.89 32.13 86.35 -1.06 30.06 86.04 coo 30.42 34.74 5.00 29.09 35.09 3.38 -0.92 50.23 94.11 -1.07 51.49 92.41 coo 59.16 37.82 13.95 57.63 37.03 15.12 -4.20 26.29 77.28 -4.78 26.04 75.24 ULMN 3 1uok_c05 OLIGO-1,6-GLUCOSIDASE user 5 3 # 5 199 ASP A 115 ASP^? 8.58 O1 SO4 A 229 242 GLU A 165 GLU^? 22.62 O4 SO4 A 229 329 ASP A 52 ASP^? 8.69 O1 SO4 A 229 coo 49.16 35.16 15.19 51.08 34.43 15.65 15.77 43.56 105.82 15.72 41.47 106.14 coo 30.42 34.74 5.00 29.09 35.09 3.38 6.08 50.50 121.81 4.00 50.92 121.97 coo 59.16 37.82 13.95 57.63 37.03 15.12 13.74 39.26 94.65 14.56 41.23 94.45 ULMN 3 1uok_c05 OLIGO-1,6-GLUCOSIDASE user 6 3 # 6 199 ASP A 115 ASP^? 8.58 O1 SO4 A 229 242 GLU A 172 GLU^? 26.58 O4 SO4 A 229 329 ASP A 52 ASP^? 8.69 O1 SO4 A 229 coo 49.16 35.16 15.19 51.08 34.43 15.65 15.77 43.56 105.82 15.72 41.47 106.14 coo 30.42 34.74 5.00 29.09 35.09 3.38 13.47 60.86 115.95 13.70 62.79 115.15 coo 59.16 37.82 13.95 57.63 37.03 15.12 13.74 39.26 94.65 14.56 41.23 94.45 ULMN 3 1uok_c05 OLIGO-1,6-GLUCOSIDASE user 7 3 # 7 199 ASP A 120 ASP^? 7.17 O2 SO4 A 229 242 GLU A 165 GLU^? 22.62 O4 SO4 A 229 329 ASP A 52 ASP^? 8.69 O1 SO4 A 229 coo 49.16 35.16 15.19 51.08 34.43 15.65 9.29 47.78 99.49 7.80 47.36 98.01 coo 30.42 34.74 5.00 29.09 35.09 3.38 6.08 50.50 121.81 4.00 50.92 121.97 coo 59.16 37.82 13.95 57.63 37.03 15.12 13.74 39.26 94.65 14.56 41.23 94.45 ULMN 3 1uok_c05 OLIGO-1,6-GLUCOSIDASE user 8 3 # 8 199 ASP A 120 ASP^? 7.17 O2 SO4 A 229 242 GLU A 172 GLU^? 26.58 O4 SO4 A 229 329 ASP A 52 ASP^? 8.69 O1 SO4 A 229 coo 49.16 35.16 15.19 51.08 34.43 15.65 9.29 47.78 99.49 7.80 47.36 98.01 coo 30.42 34.74 5.00 29.09 35.09 3.38 13.47 60.86 115.95 13.70 62.79 115.15 coo 59.16 37.82 13.95 57.63 37.03 15.12 13.74 39.26 94.65 14.56 41.23 94.45 ULMN 3 1uok_c05 OLIGO-1,6-GLUCOSIDASE user 9 3 # 9 199 ASP A 126 ASP^? 16.24 O1 SO4 A 229 242 GLU A 56 GLU^? 10.40 O3 SO4 A 231 329 ASP A 131 ASP^? 27.86 O1 SO4 A 231 coo 49.16 35.16 15.19 51.08 34.43 15.65 18.12 53.54 96.53 19.31 51.77 96.80 coo 30.42 34.74 5.00 29.09 35.09 3.38 14.22 34.54 89.57 15.78 33.95 90.89 coo 59.16 37.82 13.95 57.63 37.03 15.12 23.62 62.30 95.31 25.14 61.71 93.92 ULMN 3 1uok_c05 OLIGO-1,6-GLUCOSIDASE user 10 3 # 10 199 ASP A 126 ASP^? 16.24 O1 SO4 A 229 242 GLU A 87 GLU^? 17.80 O2 SO4 A 229 329 ASP A 131 ASP^? 27.86 O1 SO4 A 231 coo 49.16 35.16 15.19 51.08 34.43 15.65 18.12 53.54 96.53 19.31 51.77 96.80 coo 30.42 34.74 5.00 29.09 35.09 3.38 -1.36 49.08 88.76 -0.85 50.53 87.31 coo 59.16 37.82 13.95 57.63 37.03 15.12 23.62 62.30 95.31 25.14 61.71 93.92 ULMN 3 1uok_c05 OLIGO-1,6-GLUCOSIDASE user 11 3 # 11 199 ASP A 154 ASP^? 25.59 O1 SO4 A 229 242 GLU A 163 GLU^? 27.84 O4 SO4 A 229 329 ASP A 133 ASP^? 29.47 O1 SO4 A 229 coo 49.16 35.16 15.19 51.08 34.43 15.65 22.41 56.72 112.09 24.50 56.74 112.55 coo 30.42 34.74 5.00 29.09 35.09 3.38 3.56 59.76 119.79 1.89 60.37 121.02 coo 59.16 37.82 13.95 57.63 37.03 15.12 28.68 60.10 102.11 30.08 60.54 100.57 ULMN 3 1uok_c05 OLIGO-1,6-GLUCOSIDASE user 12 3 # 12 199 ASP A 154 ASP^? 25.59 O1 SO4 A 229 242 GLU A 165 GLU^? 22.62 O4 SO4 A 229 329 ASP A 133 ASP^? 29.47 O1 SO4 A 229 coo 49.16 35.16 15.19 51.08 34.43 15.65 22.41 56.72 112.09 24.50 56.74 112.55 coo 30.42 34.74 5.00 29.09 35.09 3.38 6.08 50.50 121.81 4.00 50.92 121.97 coo 59.16 37.82 13.95 57.63 37.03 15.12 28.68 60.10 102.11 30.08 60.54 100.57 ULMN 3 1uok_c05 OLIGO-1,6-GLUCOSIDASE user 13 3 # 13 199 ASP A 196 ASP^? 13.16 O4 SO4 A 231 242 GLU A 187 GLU^? 15.53 O2 SO4 A 229 329 ASP A 11 ASP.? 21.96 O2 SO4 A 231 coo 49.16 35.16 15.19 51.08 34.43 15.65 1.09 35.34 80.24 -0.14 33.75 80.95 coo 30.42 34.74 5.00 29.09 35.09 3.38 -0.92 50.23 94.11 -1.07 51.49 92.41 coo 59.16 37.82 13.95 57.63 37.03 15.12 -4.20 26.29 77.28 -4.78 26.04 75.24 ULMN 3 1uok_c05 OLIGO-1,6-GLUCOSIDASE user 14 3 # 14 199 ASP A 208 ASP^? 7.66 O1 SO4 A 230 242 GLU A 74 GLU^? 15.20 O4 SO4 A 231 329 ASP A 2 ASP~? 14.67 O2 SO4 A 230 coo 49.16 35.16 15.19 51.08 34.43 15.65 -15.69 43.98 89.75 -16.79 45.74 90.29 coo 30.42 34.74 5.00 29.09 35.09 3.38 6.06 51.55 88.92 5.14 51.51 86.98 coo 59.16 37.82 13.95 57.63 37.03 15.12 -20.15 34.72 83.71 -22.03 35.03 82.80 ULMN 3 1uok_c05 OLIGO-1,6-GLUCOSIDASE user 15 3 # 15 199 ASP A 208 ASP^? 7.66 O1 SO4 A 230 242 GLU A 74 GLU^? 15.20 O4 SO4 A 231 329 ASP A 39 ASP^? 5.87 O2 SO4 A 230 coo 49.16 35.16 15.19 51.08 34.43 15.65 -15.69 43.98 89.75 -16.79 45.74 90.29 coo 30.42 34.74 5.00 29.09 35.09 3.38 6.06 51.55 88.92 5.14 51.51 86.98 coo 59.16 37.82 13.95 57.63 37.03 15.12 -16.67 33.15 92.05 -17.20 32.80 93.99 ULMN 3 1uok_c05 OLIGO-1,6-GLUCOSIDASE user 16 3 # 16 199 ASP B 39 ASP^? 20.66 O1 SO4 A 229 242 GLU A 56 GLU^? 10.40 O3 SO4 A 231 329 ASP B 208 ASP^? 25.58 O1 SO4 B 229 coo 49.16 35.16 15.19 51.08 34.43 15.65 23.84 25.31 104.29 24.42 26.93 105.50 coo 30.42 34.74 5.00 29.09 35.09 3.38 14.22 34.54 89.57 15.78 33.95 90.89 coo 59.16 37.82 13.95 57.63 37.03 15.12 22.68 13.69 106.98 23.40 15.21 108.39 ULMN 3 1uok_c05 OLIGO-1,6-GLUCOSIDASE user 17 3 # 17 199 ASP B 39 ASP^? 20.66 O1 SO4 A 229 242 GLU A 143 GLU^? 15.50 O1 SO4 A 229 329 ASP B 208 ASP^? 25.58 O1 SO4 B 229 coo 49.16 35.16 15.19 51.08 34.43 15.65 23.84 25.31 104.29 24.42 26.93 105.50 coo 30.42 34.74 5.00 29.09 35.09 3.38 19.40 41.86 113.53 20.16 40.92 111.75 coo 59.16 37.82 13.95 57.63 37.03 15.12 22.68 13.69 106.98 23.40 15.21 108.39 ULMN 3 1uok_c05 OLIGO-1,6-GLUCOSIDASE user 18 3 # 18 199 ASP B 120 ASP^? 8.68 O3 SO4 B 229 242 GLU B 87 GLU^? 17.71 O1 SO4 B 229 329 ASP B 115 ASP^? 13.85 O3 SO4 B 229 coo 49.16 35.16 15.19 51.08 34.43 15.65 -4.32 17.92 112.37 -3.28 16.49 113.53 coo 30.42 34.74 5.00 29.09 35.09 3.38 10.05 8.18 103.44 9.48 6.19 103.45 coo 59.16 37.82 13.95 57.63 37.03 15.12 -12.10 21.41 116.25 -11.91 23.51 116.16 1uok_c05 source 1uok OLIGO-1,6-GLUCOSIDASE : 18 hits 1uok_c05 naa= 3 ULMN 3 1v0e_c00 ENDO-ALPHA-SIALIDASE user 1 3 # 1 A 581 GLU B 135 GLU^? 26.24 O2 SO4 B 229 A 596 ARG B 111 ARG^? 27.08 O3 SO4 B 229 A 647 ARG B 147 ARG^? 25.99 O3 SO4 B 229 coo 69.13 32.20 28.58 68.39 32.96 30.44 -23.94 13.15 115.56 -25.55 13.68 116.83 coo 70.89 37.31 29.70 69.54 36.29 32.39 -24.28 12.69 119.80 -25.14 15.67 120.10 coo 66.09 40.54 34.70 66.92 37.69 35.49 -21.61 19.82 125.35 -22.38 21.70 123.03 1v0e_c00 source 1v0e ENDO-ALPHA-SIALIDASE : 1 hits 1v0e_c00 naa= 3 ULMN 3 1v0e_c01 ENDO-ALPHA-SIALIDASE user 1 3 # 1 B 581 GLU B 135 GLU^? 26.24 O2 SO4 B 229 B 596 ARG B 111 ARG^? 27.08 O3 SO4 B 229 B 647 ARG B 147 ARG^? 25.99 O3 SO4 B 229 coo 38.22 57.83 70.36 36.82 56.74 69.18 -23.94 13.15 115.56 -25.55 13.68 116.83 coo 34.24 60.89 68.08 33.31 57.93 67.63 -24.28 12.69 119.80 -25.14 15.67 120.10 coo 31.43 57.38 61.97 31.90 55.58 64.41 -21.61 19.82 125.35 -22.38 21.70 123.03 1v0e_c01 source 1v0e ENDO-ALPHA-SIALIDASE : 1 hits 1v0e_c01 naa= 3 ULMN 3 1v0e_c02 ENDO-ALPHA-SIALIDASE user 1 3 # 1 C 581 GLU B 135 GLU^? 26.24 O2 SO4 B 229 C 596 ARG B 111 ARG^? 27.08 O3 SO4 B 229 C 647 ARG B 147 ARG^? 25.99 O3 SO4 B 229 coo 11.31 31.26 27.00 13.31 30.71 26.58 -23.94 13.15 115.56 -25.55 13.68 116.83 coo 13.44 32.78 22.07 15.56 30.91 23.37 -24.28 12.69 119.80 -25.14 15.67 120.10 coo 21.00 33.35 22.82 19.83 30.82 24.09 -21.61 19.82 125.35 -22.38 21.70 123.03 1v0e_c02 source 1v0e ENDO-ALPHA-SIALIDASE : 1 hits 1v0e_c02 naa= 3 ULMN 3 1v0e_c03 ENDO-ALPHA-SIALIDASE user 1 3 # 1 D 581 GLU B 135 GLU^? 26.24 O2 SO4 B 229 D 596 ARG B 111 ARG^? 27.08 O3 SO4 B 229 D 647 ARG B 147 ARG^? 25.99 O3 SO4 B 229 coo -44.60 -18.05 21.23 -43.91 -19.28 22.81 -23.94 13.15 115.56 -25.55 13.68 116.83 coo -46.27 -23.29 20.77 -45.12 -23.03 23.65 -24.28 12.69 119.80 -25.14 15.67 120.10 coo -41.59 -27.81 24.72 -42.43 -25.21 26.20 -21.61 19.82 125.35 -22.38 21.70 123.03 1v0e_c03 source 1v0e ENDO-ALPHA-SIALIDASE : 1 hits 1v0e_c03 naa= 3 ULMN 3 1v0e_c04 ENDO-ALPHA-SIALIDASE user 1 3 # 1 E 581 GLU B 135 GLU^? 26.24 O2 SO4 B 229 E 596 ARG B 111 ARG^? 27.08 O3 SO4 B 229 E 647 ARG B 147 ARG^? 25.99 O3 SO4 B 229 coo 13.14 -15.80 20.26 11.08 -15.36 20.42 -23.94 13.15 115.56 -25.55 13.68 116.83 coo 10.98 -16.04 15.26 8.84 -14.68 17.08 -24.28 12.69 119.80 -25.14 15.67 120.10 coo 3.51 -16.91 15.71 4.51 -14.91 17.79 -21.61 19.82 125.35 -22.38 21.70 123.03 1v0e_c04 source 1v0e ENDO-ALPHA-SIALIDASE : 1 hits 1v0e_c04 naa= 3 ULMN 3 1v0e_c05 ENDO-ALPHA-SIALIDASE user 1 3 # 1 F 581 GLU B 135 GLU^? 26.24 O2 SO4 B 229 F 596 ARG B 111 ARG^? 27.08 O3 SO4 B 229 F 647 ARG B 147 ARG^? 25.99 O3 SO4 B 229 coo -13.62 -54.34 53.96 -12.26 -52.95 53.12 -23.94 13.15 115.56 -25.55 13.68 116.83 coo -9.88 -56.64 50.98 -8.81 -53.71 51.30 -24.28 12.69 119.80 -25.14 15.67 120.10 coo -6.86 -51.53 46.20 -7.51 -50.44 49.00 -21.61 19.82 125.35 -22.38 21.70 123.03 1v0e_c05 source 1v0e ENDO-ALPHA-SIALIDASE : 1 hits 1v0e_c05 naa= 3 ULMN 3 1vom_c00 MYOSIN user 1 3 # 1 233 ASN A 108 ASN^? 31.71 O1 SO4 A 229 457 GLY A 104 GLY^? 29.81 O4 SO4 A 229 459 GLU A 172 GLU^? 26.58 O4 SO4 A 229 coo 59.14 42.15 -25.87 60.93 42.86 -24.97 23.42 63.46 112.90 25.40 64.20 113.21 coo 63.27 35.38 -30.38 62.82 35.87 -30.84 16.55 64.58 117.04 16.86 63.88 116.91 coo 57.92 36.85 -33.37 58.28 38.94 -33.63 13.47 60.86 115.95 13.70 62.79 115.15 1vom_c00 source 1vom MYOSIN : 1 hits 1vom_c00 naa= 3 ULMN 3 1vzx_c02 2.04.01.0087 user 1 3 # 1 A 314 TYR A 27 TYR^? 6.19 O4 SO4 A 229 A 317 GLU A 28 GLU^? 15.00 O4 SO4 A 229 A 365 ARG A 49 ARG^? -7.08 O1 SO4 A 229s coo 1.77 6.56 57.05 3.05 7.44 59.37 -0.27 40.97 103.40 2.22 42.05 102.76 coo 3.06 2.85 52.79 4.83 3.89 53.24 -5.36 37.58 106.38 -6.12 37.04 108.31 coo 3.82 17.09 49.56 4.09 14.32 50.84 10.25 36.07 104.69 11.36 37.50 107.24 ULMN 3 1vzx_c02 2.04.01.0087 user 2 3 # 2 A 314 TYR A 228 TYR^? 12.29 O4 SO4 B 229 A 317 GLU A 28 GLU^? 15.00 O4 SO4 A 229 A 365 ARG A 54 ARG^? -2.64 O2 SO4 A 229s coo 1.77 6.56 57.05 3.05 7.44 59.37 -6.50 33.95 102.32 -5.45 34.14 104.92 coo 3.06 2.85 52.79 4.83 3.89 53.24 -5.36 37.58 106.38 -6.12 37.04 108.31 coo 3.82 17.09 49.56 4.09 14.32 50.84 5.30 36.31 96.12 6.03 38.74 97.87 ULMN 3 1vzx_c02 2.04.01.0087 user 3 3 # 3 A 314 TYR A 228 TYR^? 12.29 O4 SO4 B 229 A 317 GLU A 28 GLU^? 15.00 O4 SO4 A 229 A 365 ARG B 117 ARG^? 15.21 O3 SO4 B 229 coo 1.77 6.56 57.05 3.05 7.44 59.37 -6.50 33.95 102.32 -5.45 34.14 104.92 coo 3.06 2.85 52.79 4.83 3.89 53.24 -5.36 37.58 106.38 -6.12 37.04 108.31 coo 3.82 17.09 49.56 4.09 14.32 50.84 -11.94 27.43 114.35 -11.31 26.82 117.30 ULMN 3 1vzx_c02 2.04.01.0087 user 4 3 # 4 A 314 TYR B 23 TYR^? 8.86 O4 SO4 B 229 A 317 GLU B 28 GLU^? 14.88 O3 SO4 B 229 A 365 ARG B 54 ARG^? -2.73 O1 SO4 B 229s coo 1.77 6.56 57.05 3.05 7.44 59.37 -0.27 28.40 110.26 -0.70 30.59 108.63 coo 3.06 2.85 52.79 4.83 3.89 53.24 7.08 27.54 112.66 7.38 29.31 113.76 coo 3.82 17.09 49.56 4.09 14.32 50.84 2.04 21.87 100.04 0.47 20.79 102.47 ULMN 3 1vzx_c02 2.04.01.0087 user 5 3 # 5 A 314 TYR B 27 TYR^? 6.20 O3 SO4 B 229 A 317 GLU B 28 GLU^? 14.88 O3 SO4 B 229 A 365 ARG B 49 ARG^? -5.45 O4 SO4 B 229s coo 1.77 6.56 57.05 3.05 7.44 59.37 3.82 22.31 109.84 1.63 20.66 109.20 coo 3.06 2.85 52.79 4.83 3.89 53.24 7.08 27.54 112.66 7.38 29.31 113.76 coo 3.82 17.09 49.56 4.09 14.32 50.84 -5.59 26.20 104.46 -4.44 26.24 107.34 ULMN 3 1vzx_c02 2.04.01.0087 user 6 3 # 6 A 314 TYR B 228 TYR^? 12.23 O3 SO4 A 229 A 317 GLU B 28 GLU^? 14.88 O3 SO4 B 229 A 365 ARG B 54 ARG^? -2.73 O1 SO4 B 229s coo 1.77 6.56 57.05 3.05 7.44 59.37 10.57 28.77 107.84 8.55 29.75 109.51 coo 3.06 2.85 52.79 4.83 3.89 53.24 7.08 27.54 112.66 7.38 29.31 113.76 coo 3.82 17.09 49.56 4.09 14.32 50.84 2.04 21.87 100.04 0.47 20.79 102.47 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 27 TYR^? 6.19 O4 SO4 A 229 B1317 GLU A 28 GLU^? 15.00 O4 SO4 A 229 B1365 ARG A 49 ARG^? -7.08 O1 SO4 A 229s coo 13.32 10.15 -9.20 12.07 11.36 -11.38 -0.27 40.97 103.40 2.22 42.05 102.76 coo 12.13 5.84 -5.49 10.31 6.88 -5.76 -5.36 37.58 106.38 -6.12 37.04 108.31 coo 11.24 19.69 -0.67 10.92 17.07 -2.21 10.25 36.07 104.69 11.36 37.50 107.24 ULMN 3 1vzx_c03 2.04.01.0087 user 2 3 # 2 B1314 TYR A 228 TYR^? 12.29 O4 SO4 B 229 B1317 GLU A 28 GLU^? 15.00 O4 SO4 A 229 B1365 ARG A 54 ARG^? -2.64 O2 SO4 A 229s coo 13.32 10.15 -9.20 12.07 11.36 -11.38 -6.50 33.95 102.32 -5.45 34.14 104.92 coo 12.13 5.84 -5.49 10.31 6.88 -5.76 -5.36 37.58 106.38 -6.12 37.04 108.31 coo 11.24 19.69 -0.67 10.92 17.07 -2.21 5.30 36.31 96.12 6.03 38.74 97.87 ULMN 3 1vzx_c03 2.04.01.0087 user 3 3 # 3 B1314 TYR A 228 TYR^? 12.29 O4 SO4 B 229 B1317 GLU A 28 GLU^? 15.00 O4 SO4 A 229 B1365 ARG B 117 ARG^? 15.21 O3 SO4 B 229 coo 13.32 10.15 -9.20 12.07 11.36 -11.38 -6.50 33.95 102.32 -5.45 34.14 104.92 coo 12.13 5.84 -5.49 10.31 6.88 -5.76 -5.36 37.58 106.38 -6.12 37.04 108.31 coo 11.24 19.69 -0.67 10.92 17.07 -2.21 -11.94 27.43 114.35 -11.31 26.82 117.30 ULMN 3 1vzx_c03 2.04.01.0087 user 4 3 # 4 B1314 TYR B 23 TYR^? 8.86 O4 SO4 B 229 B1317 GLU B 28 GLU^? 14.88 O3 SO4 B 229 B1365 ARG B 54 ARG^? -2.73 O1 SO4 B 229s coo 13.32 10.15 -9.20 12.07 11.36 -11.38 -0.27 28.40 110.26 -0.70 30.59 108.63 coo 12.13 5.84 -5.49 10.31 6.88 -5.76 7.08 27.54 112.66 7.38 29.31 113.76 coo 11.24 19.69 -0.67 10.92 17.07 -2.21 2.04 21.87 100.04 0.47 20.79 102.47 ULMN 3 1vzx_c03 2.04.01.0087 user 5 3 # 5 B1314 TYR B 27 TYR^? 6.20 O3 SO4 B 229 B1317 GLU B 28 GLU^? 14.88 O3 SO4 B 229 B1365 ARG B 49 ARG^? -5.45 O4 SO4 B 229s coo 13.32 10.15 -9.20 12.07 11.36 -11.38 3.82 22.31 109.84 1.63 20.66 109.20 coo 12.13 5.84 -5.49 10.31 6.88 -5.76 7.08 27.54 112.66 7.38 29.31 113.76 coo 11.24 19.69 -0.67 10.92 17.07 -2.21 -5.59 26.20 104.46 -4.44 26.24 107.34 ULMN 3 1vzx_c03 2.04.01.0087 user 6 3 # 6 B1314 TYR B 228 TYR^? 12.23 O3 SO4 A 229 B1317 GLU B 28 GLU^? 14.88 O3 SO4 B 229 B1365 ARG B 54 ARG^? -2.73 O1 SO4 B 229s coo 13.32 10.15 -9.20 12.07 11.36 -11.38 10.57 28.77 107.84 8.55 29.75 109.51 coo 12.13 5.84 -5.49 10.31 6.88 -5.76 7.08 27.54 112.66 7.38 29.31 113.76 coo 11.24 19.69 -0.67 10.92 17.07 -2.21 2.04 21.87 100.04 0.47 20.79 102.47 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 63 TYR^? 12.02 O3 SO4 A 229 A 40 ASP A 196 ASP^? 13.16 O4 SO4 A 231 A 103 LEU A 58 LEU^? 9.52 O4 SO4 A 231 coo 12.09 16.13 10.57 11.28 18.80 10.73 4.07 31.35 91.04 5.31 30.23 93.28 coo 7.55 25.51 14.34 9.65 25.73 14.24 1.09 35.34 80.24 -0.14 33.75 80.95 coo 11.83 18.73 16.99 10.99 19.71 15.26 6.17 35.43 88.00 4.55 36.49 86.98 ULMN 3 1vzz_c00 STEROID DELTA-ISOMERASE user 2 3 # 2 A 16 TYR B 63 TYR^? 12.59 O4 SO4 B 229 A 40 ASP B 196 ASP^? 21.51 O1 SO4 B 229 A 103 LEU B 58 LEU^? 13.41 O1 SO4 B 229 coo 12.09 16.13 10.57 11.28 18.80 10.73 6.08 23.92 93.84 4.01 25.72 94.40 coo 7.55 25.51 14.34 9.65 25.73 14.24 12.23 15.64 88.97 13.40 17.43 88.99 coo 11.83 18.73 16.99 10.99 19.71 15.26 4.82 18.28 93.01 6.70 17.26 93.58 1vzz_c00 source 1vzz STEROID DELTA-ISOMERASE : 2 hits 1vzz_c00 naa= 3 ULMN 3 1vzz_c01 STEROID DELTA-ISOMERASE user 1 3 # 1 B 16 TYR A 63 TYR^? 12.02 O3 SO4 A 229 B 40 ASP A 196 ASP^? 13.16 O4 SO4 A 231 B 103 LEU A 58 LEU^? 9.52 O4 SO4 A 231 coo 14.25 20.09 37.35 13.48 17.40 37.38 4.07 31.35 91.04 5.31 30.23 93.28 coo 9.39 10.77 34.53 11.50 10.63 34.41 1.09 35.34 80.24 -0.14 33.75 80.95 coo 12.89 17.60 31.13 12.34 16.51 32.90 6.17 35.43 88.00 4.55 36.49 86.98 ULMN 3 1vzz_c01 STEROID DELTA-ISOMERASE user 2 3 # 2 B 16 TYR B 63 TYR^? 12.59 O4 SO4 B 229 B 40 ASP B 196 ASP^? 21.51 O1 SO4 B 229 B 103 LEU B 58 LEU^? 13.41 O1 SO4 B 229 coo 14.25 20.09 37.35 13.48 17.40 37.38 6.08 23.92 93.84 4.01 25.72 94.40 coo 9.39 10.77 34.53 11.50 10.63 34.41 12.23 15.64 88.97 13.40 17.43 88.99 coo 12.89 17.60 31.13 12.34 16.51 32.90 4.82 18.28 93.01 6.70 17.26 93.58 1vzz_c01 source 1vzz STEROID DELTA-ISOMERASE : 2 hits 1vzz_c01 naa= 3 ULMN 3 1w1o_c00 CYTOKININ DEHYDROGENASE 1 user 1 3 # 1 A 105 HIS A 97 HIS^? 10.66 O4 SO4 A 229 A 169 ASP A 115 ASP^? 8.58 O1 SO4 A 229 A 288 GLU A 143 GLU^? 15.50 O1 SO4 A 229 coo 67.72 35.99 30.87 69.77 36.13 31.33 7.24 52.04 104.47 6.71 50.18 103.67 coo 73.17 30.66 22.56 72.87 30.30 20.46 15.77 43.56 105.82 15.72 41.47 106.14 coo 74.06 28.51 15.92 73.77 29.56 17.73 19.40 41.86 113.53 20.16 40.92 111.75 ULMN 3 1w1o_c00 CYTOKININ DEHYDROGENASE 1 user 2 3 # 2 A 105 HIS B 97 HIS^? 12.49 O3 SO4 B 229 A 169 ASP B 115 ASP^? 13.85 O3 SO4 B 229 A 288 GLU B 143 GLU^? 21.40 O3 SO4 B 229 coo 67.72 35.99 30.87 69.77 36.13 31.33 -3.31 12.76 116.75 -2.66 14.35 115.55 coo 73.17 30.66 22.56 72.87 30.30 20.46 -12.10 21.41 116.25 -11.91 23.51 116.16 coo 74.06 28.51 15.92 73.77 29.56 17.73 -16.26 24.40 123.16 -17.08 25.33 121.37 1w1o_c00 source 1w1o CYTOKININ DEHYDROGENASE 1 : 2 hits 1w1o_c00 naa= 3 ULMN 3 1xny_c00 PROPIONYL-COA CARBOXYLASE COMPLEX B user 1 3 # 1 A 183 GLY A 29 GLY^? 9.91 O3 SO4 A 230 B 419 GLY A 33 GLY^? 6.05 O3 SO4 A 230 B 420 ALA A 31 ALA^? 12.33 O3 SO4 A 230 coo 26.12 -67.67-130.71 26.18 -67.32-131.45 -8.36 41.25 102.79 -7.69 40.99 102.42 coo 25.10 -66.82-126.88 25.40 -66.55-126.17 -10.92 40.03 97.83 -10.38 39.42 97.65 coo 26.37 -68.04-123.51 27.50 -67.42-122.72 -5.97 37.85 99.42 -5.18 37.00 100.43 ULMN 3 1xny_c00 PROPIONYL-COA CARBOXYLASE COMPLEX B user 2 3 # 2 A 183 GLY A 33 GLY^? 6.05 O3 SO4 A 230 B 419 GLY A 29 GLY^? 9.91 O3 SO4 A 230 B 420 ALA A 31 ALA^? 12.33 O3 SO4 A 230 coo 26.12 -67.67-130.71 26.18 -67.32-131.45 -10.92 40.03 97.83 -10.38 39.42 97.65 coo 25.10 -66.82-126.88 25.40 -66.55-126.17 -8.36 41.25 102.79 -7.69 40.99 102.42 coo 26.37 -68.04-123.51 27.50 -67.42-122.72 -5.97 37.85 99.42 -5.18 37.00 100.43 ULMN 3 1xny_c00 PROPIONYL-COA CARBOXYLASE COMPLEX B user 3 3 # 3 A 183 GLY B 29 GLY^? 15.41 O3 SO4 B 229 B 419 GLY B 33 GLY^? 17.96 O1 SO4 B 229 B 420 ALA B 31 ALA^? 12.64 O4 SO4 B 229 coo 26.12 -67.67-130.71 26.18 -67.32-131.45 11.30 23.21 112.72 10.85 23.02 112.05 coo 25.10 -66.82-126.88 25.40 -66.55-126.17 15.72 22.10 109.54 15.48 22.46 108.84 coo 26.37 -68.04-123.51 27.50 -67.42-122.72 10.97 23.81 107.56 9.99 24.95 107.47 ULMN 3 1xny_c00 PROPIONYL-COA CARBOXYLASE COMPLEX B user 4 3 # 4 A 183 GLY B 33 GLY^? 17.96 O1 SO4 B 229 B 419 GLY B 29 GLY^? 15.41 O3 SO4 B 229 B 420 ALA B 31 ALA^? 12.64 O4 SO4 B 229 coo 26.12 -67.67-130.71 26.18 -67.32-131.45 15.72 22.10 109.54 15.48 22.46 108.84 coo 25.10 -66.82-126.88 25.40 -66.55-126.17 11.30 23.21 112.72 10.85 23.02 112.05 coo 26.37 -68.04-123.51 27.50 -67.42-122.72 10.97 23.81 107.56 9.99 24.95 107.47 1xny_c00 source 1xny PROPIONYL-COA CARBOXYLASE COMPLEX B SUBUNIT : 4 hits 1xny_c00 naa= 3 ULMN 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 1 3 # 1 A 420 ALA A 214 ALA^? 7.16 O1 SO4 A 230 B 182 GLY A 29 GLY^? 9.91 O3 SO4 A 230 B 183 GLY A 33 GLY^? 6.05 O3 SO4 A 230 coo 38.36-101.47-135.52 39.62-101.29-136.35 -14.84 46.79 99.08 -16.31 46.97 98.48 coo 41.93-102.35-126.87 41.52-101.89-126.30 -8.36 41.25 102.79 -7.69 40.99 102.42 coo 38.37-101.99-128.11 38.63-102.24-127.37 -10.92 40.03 97.83 -10.38 39.42 97.65 ULMN 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 2 3 # 2 A 420 ALA A 214 ALA^? 7.16 O1 SO4 A 230 B 182 GLY A 33 GLY^? 6.05 O3 SO4 A 230 B 183 GLY A 29 GLY^? 9.91 O3 SO4 A 230 coo 38.36-101.47-135.52 39.62-101.29-136.35 -14.84 46.79 99.08 -16.31 46.97 98.48 coo 41.93-102.35-126.87 41.52-101.89-126.30 -10.92 40.03 97.83 -10.38 39.42 97.65 coo 38.37-101.99-128.11 38.63-102.24-127.37 -8.36 41.25 102.79 -7.69 40.99 102.42 ULMN 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 3 3 # 3 A 420 ALA B 214 ALA^? 24.06 O1 SO4 B 229 B 182 GLY B 29 GLY^? 15.41 O3 SO4 B 229 B 183 GLY B 33 GLY^? 17.96 O1 SO4 B 229 coo 38.36-101.47-135.52 39.62-101.29-136.35 17.92 17.53 115.89 19.42 17.18 116.11 coo 41.93-102.35-126.87 41.52-101.89-126.30 11.30 23.21 112.72 10.85 23.02 112.05 coo 38.37-101.99-128.11 38.63-102.24-127.37 15.72 22.10 109.54 15.48 22.46 108.84 ULMN 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 4 3 # 4 A 420 ALA B 214 ALA^? 24.06 O1 SO4 B 229 B 182 GLY B 33 GLY^? 17.96 O1 SO4 B 229 B 183 GLY B 29 GLY^? 15.41 O3 SO4 B 229 coo 38.36-101.47-135.52 39.62-101.29-136.35 17.92 17.53 115.89 19.42 17.18 116.11 coo 41.93-102.35-126.87 41.52-101.89-126.30 15.72 22.10 109.54 15.48 22.46 108.84 coo 38.37-101.99-128.11 38.63-102.24-127.37 11.30 23.21 112.72 10.85 23.02 112.05 1xny_c01 source 1xny PROPIONYL-COA CARBOXYLASE COMPLEX B SUBUNIT : 4 hits 1xny_c01 naa= 3 ULMN 3 1xqw_c00 PROLINE IMINOPEPTIDASE user 1 3 # 1 A 105 ALA A 214 ALA^? 7.16 O1 SO4 A 230 A 244 ASP A 208 ASP^? 7.66 O1 SO4 A 230 A 271 HIS A 210 HIS^? 9.95 O1 SO4 A 230 coo 15.05 3.71 6.93 14.58 4.88 7.78 -14.84 46.79 99.08 -16.31 46.97 98.48 coo 9.85 8.15 0.76 10.61 7.04 2.39 -15.69 43.98 89.75 -16.79 45.74 90.29 coo 10.61 7.65 6.01 12.39 6.55 6.23 -16.02 49.92 93.97 -17.27 50.59 95.51 ULMN 3 1xqw_c00 PROLINE IMINOPEPTIDASE user 2 3 # 2 A 105 ALA B 214 ALA^? 24.06 O1 SO4 B 229 A 244 ASP B 208 ASP^? 25.58 O1 SO4 B 229 A 271 HIS B 210 HIS^? 25.92 O1 SO4 B 229 coo 15.05 3.71 6.93 14.58 4.88 7.78 17.92 17.53 115.89 19.42 17.18 116.11 coo 9.85 8.15 0.76 10.61 7.04 2.39 22.68 13.69 106.98 23.40 15.21 108.39 coo 10.61 7.65 6.01 12.39 6.55 6.23 21.10 10.94 112.67 20.59 9.01 113.37 1xqw_c00 source 1xqw PROLINE IMINOPEPTIDASE : 2 hits 1xqw_c00 naa= 3 ULMN 3 1xs1_c07 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 1 3 # 1 B 124 ALA A 185 ALA^? 11.02 O2 SO4 A 229 B 126 ARG A 181 ARG^? 20.14 O2 SO4 A 229 B 138 GLU A 187 GLU^? 15.53 O2 SO4 A 229 coo 2.11 4.00 19.31 3.14 4.86 19.99 5.07 51.01 98.29 6.11 51.39 99.32 coo 2.45 5.53 11.28 3.59 7.56 13.29 10.24 57.36 93.50 12.83 58.20 92.12 coo 6.10 2.00 25.24 6.12 1.84 23.13 -0.92 50.23 94.11 -1.07 51.49 92.41 ULMN 3 1xs1_c07 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 2 3 # 2 B 124 ALA B 85 ALA^? 17.70 O1 SO4 B 229 B 126 ARG B 204 ARG^? 28.80 O1 SO4 B 229 B 138 GLU B 87 GLU^? 17.71 O1 SO4 B 229 coo 2.11 4.00 19.31 3.14 4.86 19.99 12.59 10.97 98.13 12.88 12.27 97.45 coo 2.45 5.53 11.28 3.59 7.56 13.29 22.06 9.76 97.61 23.97 10.05 95.18 coo 6.10 2.00 25.24 6.12 1.84 23.13 10.05 8.18 103.44 9.48 6.19 103.45 ULMN 3 1xs1_c07 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 3 3 # 3 B 124 ALA B 155 ALA^? 22.81 O3 SO4 B 229 B 126 ARG B 111 ARG^? 27.08 O3 SO4 B 229 B 138 GLU B 105 GLU^? 33.36 O3 SO4 B 229 coo 2.11 4.00 19.31 3.14 4.86 19.99 -15.36 10.84 122.34 -14.99 9.63 121.49 coo 2.45 5.53 11.28 3.59 7.56 13.29 -24.28 12.69 119.80 -25.14 15.67 120.10 coo 6.10 2.00 25.24 6.12 1.84 23.13 -18.43 5.03 129.05 -20.50 4.52 128.90 1xs1_c07 source 1xs1 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASE : 3 hits 1xs1_c07 naa= 3 ULMN 3 1xs1_c08 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 1 3 # 1 C 124 ALA A 185 ALA^? 11.02 O2 SO4 A 229 C 126 ARG A 181 ARG^? 20.14 O2 SO4 A 229 C 138 GLU A 187 GLU^? 15.53 O2 SO4 A 229 coo -4.54 -7.50 19.94 -4.33 -8.73 20.82 5.07 51.01 98.29 6.11 51.39 99.32 coo -3.14 -9.40 12.05 -1.75 -11.23 14.08 10.24 57.36 93.50 12.83 58.20 92.12 coo -8.56 -9.50 25.72 -8.77 -9.47 23.62 -0.92 50.23 94.11 -1.07 51.49 92.41 ULMN 3 1xs1_c08 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 2 3 # 2 C 124 ALA B 85 ALA^? 17.70 O1 SO4 B 229 C 126 ARG B 204 ARG^? 28.80 O1 SO4 B 229 C 138 GLU B 87 GLU^? 17.71 O1 SO4 B 229 coo -4.54 -7.50 19.94 -4.33 -8.73 20.82 12.59 10.97 98.13 12.88 12.27 97.45 coo -3.14 -9.40 12.05 -1.75 -11.23 14.08 22.06 9.76 97.61 23.97 10.05 95.18 coo -8.56 -9.50 25.72 -8.77 -9.47 23.62 10.05 8.18 103.44 9.48 6.19 103.45 1xs1_c08 source 1xs1 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASE : 2 hits 1xs1_c08 naa= 3 ULMN 3 1xs1_c09 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 1 3 # 1 D 124 ALA A 185 ALA^? 11.02 O2 SO4 A 229 D 126 ARG A 181 ARG^? 20.14 O2 SO4 A 229 D 138 GLU A 187 GLU^? 15.53 O2 SO4 A 229 coo 2.08 -1.49 62.94 3.12 -2.39 62.28 5.07 51.01 98.29 6.11 51.39 99.32 coo 2.52 -3.11 70.84 3.63 -5.24 68.92 10.24 57.36 93.50 12.83 58.20 92.12 coo 6.23 0.50 57.10 5.93 0.72 59.19 -0.92 50.23 94.11 -1.07 51.49 92.41 ULMN 3 1xs1_c09 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 2 3 # 2 D 124 ALA B 85 ALA^? 17.70 O1 SO4 B 229 D 126 ARG B 204 ARG^? 28.80 O1 SO4 B 229 D 138 GLU B 87 GLU^? 17.71 O1 SO4 B 229 coo 2.08 -1.49 62.94 3.12 -2.39 62.28 12.59 10.97 98.13 12.88 12.27 97.45 coo 2.52 -3.11 70.84 3.63 -5.24 68.92 22.06 9.76 97.61 23.97 10.05 95.18 coo 6.23 0.50 57.10 5.93 0.72 59.19 10.05 8.18 103.44 9.48 6.19 103.45 ULMN 3 1xs1_c09 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 3 3 # 3 D 124 ALA B 155 ALA^? 22.81 O3 SO4 B 229 D 126 ARG B 111 ARG^? 27.08 O3 SO4 B 229 D 138 GLU B 105 GLU^? 33.36 O3 SO4 B 229 coo 2.08 -1.49 62.94 3.12 -2.39 62.28 -15.36 10.84 122.34 -14.99 9.63 121.49 coo 2.52 -3.11 70.84 3.63 -5.24 68.92 -24.28 12.69 119.80 -25.14 15.67 120.10 coo 6.23 0.50 57.10 5.93 0.72 59.19 -18.43 5.03 129.05 -20.50 4.52 128.90 1xs1_c09 source 1xs1 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASE : 3 hits 1xs1_c09 naa= 3 ULMN 3 1xs1_c10 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 1 3 # 1 E 124 ALA A 185 ALA^? 11.02 O2 SO4 A 229 E 126 ARG A 70 ARG^? 17.64 O2 SO4 A 229 E 138 GLU A 96 GLU^? 17.08 O4 SO4 A 229 coo -4.56 10.03 62.36 -4.38 11.31 61.55 5.07 51.01 98.29 6.11 51.39 99.32 coo -3.02 12.00 70.07 -1.94 13.84 67.82 2.37 50.83 90.43 1.13 53.29 89.13 coo -8.67 12.22 56.54 -8.68 12.09 58.65 1.22 55.68 105.58 1.14 56.60 103.71 ULMN 3 1xs1_c10 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 2 3 # 2 E 124 ALA A 185 ALA^? 11.02 O2 SO4 A 229 E 126 ARG A 181 ARG^? 20.14 O2 SO4 A 229 E 138 GLU A 96 GLU^? 17.08 O4 SO4 A 229 coo -4.56 10.03 62.36 -4.38 11.31 61.55 5.07 51.01 98.29 6.11 51.39 99.32 coo -3.02 12.00 70.07 -1.94 13.84 67.82 10.24 57.36 93.50 12.83 58.20 92.12 coo -8.67 12.22 56.54 -8.68 12.09 58.65 1.22 55.68 105.58 1.14 56.60 103.71 ULMN 3 1xs1_c10 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 3 3 # 3 E 124 ALA A 185 ALA^? 11.02 O2 SO4 A 229 E 126 ARG A 181 ARG^? 20.14 O2 SO4 A 229 E 138 GLU A 187 GLU^? 15.53 O2 SO4 A 229 coo -4.56 10.03 62.36 -4.38 11.31 61.55 5.07 51.01 98.29 6.11 51.39 99.32 coo -3.02 12.00 70.07 -1.94 13.84 67.82 10.24 57.36 93.50 12.83 58.20 92.12 coo -8.67 12.22 56.54 -8.68 12.09 58.65 -0.92 50.23 94.11 -1.07 51.49 92.41 ULMN 3 1xs1_c10 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 4 3 # 4 E 124 ALA B 85 ALA^? 17.70 O1 SO4 B 229 E 126 ARG B 204 ARG^? 28.80 O1 SO4 B 229 E 138 GLU B 87 GLU^? 17.71 O1 SO4 B 229 coo -4.56 10.03 62.36 -4.38 11.31 61.55 12.59 10.97 98.13 12.88 12.27 97.45 coo -3.02 12.00 70.07 -1.94 13.84 67.82 22.06 9.76 97.61 23.97 10.05 95.18 coo -8.67 12.22 56.54 -8.68 12.09 58.65 10.05 8.18 103.44 9.48 6.19 103.45 ULMN 3 1xs1_c10 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 5 3 # 5 E 124 ALA B 155 ALA^? 22.81 O3 SO4 B 229 E 126 ARG B 111 ARG^? 27.08 O3 SO4 B 229 E 138 GLU B 105 GLU^? 33.36 O3 SO4 B 229 coo -4.56 10.03 62.36 -4.38 11.31 61.55 -15.36 10.84 122.34 -14.99 9.63 121.49 coo -3.02 12.00 70.07 -1.94 13.84 67.82 -24.28 12.69 119.80 -25.14 15.67 120.10 coo -8.67 12.22 56.54 -8.68 12.09 58.65 -18.43 5.03 129.05 -20.50 4.52 128.90 1xs1_c10 source 1xs1 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASE : 5 hits 1xs1_c10 naa= 3 ULMN 3 1xs1_c11 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 1 3 # 1 F 124 ALA A 185 ALA^? 11.02 O2 SO4 A 229 F 126 ARG A 181 ARG^? 20.14 O2 SO4 A 229 F 138 GLU A 187 GLU^? 15.53 O2 SO4 A 229 coo -11.15 -1.53 62.85 -12.44 -2.03 62.23 5.07 51.01 98.29 6.11 51.39 99.32 coo -13.16 -0.52 70.77 -15.41 -0.40 68.66 10.24 57.36 93.50 12.83 58.20 92.12 coo -11.26 -6.31 57.37 -11.02 -6.31 59.47 -0.92 50.23 94.11 -1.07 51.49 92.41 ULMN 3 1xs1_c11 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 2 3 # 2 F 124 ALA B 85 ALA^? 17.70 O1 SO4 B 229 F 126 ARG B 204 ARG^? 28.80 O1 SO4 B 229 F 138 GLU B 87 GLU^? 17.71 O1 SO4 B 229 coo -11.15 -1.53 62.85 -12.44 -2.03 62.23 12.59 10.97 98.13 12.88 12.27 97.45 coo -13.16 -0.52 70.77 -15.41 -0.40 68.66 22.06 9.76 97.61 23.97 10.05 95.18 coo -11.26 -6.31 57.37 -11.02 -6.31 59.47 10.05 8.18 103.44 9.48 6.19 103.45 1xs1_c11 source 1xs1 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASE : 2 hits 1xs1_c11 naa= 3 ULMN 3 1xva_c03 GLYCINE N-METHYLTRANSFERASE user 1 3 # 1 B 137 GLY A 50 GLY^? -3.07 O1 SO4 A 229s B 175 ARG A 117 ARG^? 9.09 O1 SO4 A 229 B 242 TYR A 141 TYR^? 9.25 O4 SO4 A 229 coo 99.45 58.28 3.33 99.57 58.61 4.10 10.35 37.93 99.14 9.60 37.73 98.91 coo 106.37 63.53 0.89 108.02 63.40 -1.62 15.20 37.23 104.25 15.70 38.54 107.02 coo 100.93 69.04 4.38 99.52 68.48 2.09 12.91 44.78 109.54 12.66 42.85 107.55 ULMN 3 1xva_c03 GLYCINE N-METHYLTRANSFERASE user 2 3 # 2 B 137 GLY A 50 GLY^? -3.07 O1 SO4 A 229s B 175 ARG A 117 ARG^? 9.09 O1 SO4 A 229 B 242 TYR B 228 TYR^? 12.23 O3 SO4 A 229 coo 99.45 58.28 3.33 99.57 58.61 4.10 10.35 37.93 99.14 9.60 37.73 98.91 coo 106.37 63.53 0.89 108.02 63.40 -1.62 15.20 37.23 104.25 15.70 38.54 107.02 coo 100.93 69.04 4.38 99.52 68.48 2.09 10.57 28.77 107.84 8.55 29.75 109.51 ULMN 3 1xva_c03 GLYCINE N-METHYLTRANSFERASE user 3 3 # 3 B 137 GLY A 89 GLY^? 17.01 O1 SO4 A 230 B 175 ARG A 70 ARG^? 17.64 O2 SO4 A 229 B 242 TYR A 93 TYR^? 6.38 O2 SO4 A 229 coo 99.45 58.28 3.33 99.57 58.61 4.10 -4.32 51.99 94.40 -3.98 51.29 94.76 coo 106.37 63.53 0.89 108.02 63.40 -1.62 2.37 50.83 90.43 1.13 53.29 89.13 coo 100.93 69.04 4.38 99.52 68.48 2.09 1.20 45.36 98.99 3.01 43.25 98.50 ULMN 3 1xva_c03 GLYCINE N-METHYLTRANSFERASE user 4 3 # 4 B 137 GLY B 89 GLY^? 16.96 O1 SO4 B 229 B 175 ARG B 70 ARG^? 17.55 O1 SO4 B 229 B 242 TYR B 93 TYR^? -6.26 O1 SO4 B 229s coo 99.45 58.28 3.33 99.57 58.61 4.10 10.15 9.21 110.31 9.83 9.95 110.22 coo 106.37 63.53 0.89 108.02 63.40 -1.62 4.92 7.16 103.42 6.42 4.45 103.73 coo 100.93 69.04 4.38 99.52 68.48 2.09 3.42 16.10 108.71 2.04 17.62 106.85 1xva_c03 source 1xva GLYCINE N-METHYLTRANSFERASE : 4 hits 1xva_c03 naa= 3 ULMN 3 1ybv_c00 TRIHYDROXYNAPHTHALENE REDUCTASE user 1 3 # 1 A 164 SER A 32 SER^? 6.95 O3 SO4 A 230 A 178 TYR A 45 TYR^? 12.83 O3 SO4 A 229 A 182 LYS A 35 LYS^? 11.43 O2 SO4 A 230 coo 81.46 10.53 21.66 82.20 10.82 19.39 -9.65 37.25 100.15 -11.63 37.02 101.57 coo 87.67 8.69 17.10 86.62 10.83 18.52 -3.49 33.26 97.33 -5.14 35.38 96.58 coo 85.30 6.17 22.83 87.26 11.02 23.50 -9.76 35.16 95.20 -10.16 29.64 98.57 ULMN 3 1ybv_c00 TRIHYDROXYNAPHTHALENE REDUCTASE user 2 3 # 2 A 164 SER B 32 SER^? 18.05 O1 SO4 B 229 A 178 TYR B 45 TYR^? 13.10 O4 SO4 B 229 A 182 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo 81.46 10.53 21.66 82.20 10.82 19.39 14.02 25.45 109.10 14.28 25.64 111.53 coo 87.67 8.69 17.10 86.62 10.83 18.52 10.04 26.44 102.60 11.44 24.36 103.85 coo 85.30 6.17 22.83 87.26 11.02 23.50 16.47 24.53 104.57 15.75 30.78 103.34 ULMN 3 1ybv_c00 TRIHYDROXYNAPHTHALENE REDUCTASE user 3 3 # 3 A 164 SER B 227 SER^? 13.75 O1 SO4 A 229 A 178 TYR B 45 TYR^? 13.10 O4 SO4 B 229 A 182 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo 81.46 10.53 21.66 82.20 10.82 19.39 14.71 30.25 109.72 16.59 31.22 108.47 coo 87.67 8.69 17.10 86.62 10.83 18.52 10.04 26.44 102.60 11.44 24.36 103.85 coo 85.30 6.17 22.83 87.26 11.02 23.50 16.47 24.53 104.57 15.75 30.78 103.34 1ybv_c00 source 1ybv TRIHYDROXYNAPHTHALENE REDUCTASE : 3 hits 1ybv_c00 naa= 3 ULMN 3 1ybv_c01 TRIHYDROXYNAPHTHALENE REDUCTASE user 1 3 # 1 B 164 SER A 32 SER^? 6.95 O3 SO4 A 230 B 178 TYR A 45 TYR^? 12.83 O3 SO4 A 229 B 182 LYS A 35 LYS^? 11.43 O2 SO4 A 230 coo 61.22 3.61 34.51 60.46 1.86 35.98 -9.65 37.25 100.15 -11.63 37.02 101.57 coo 54.99 -1.20 35.40 56.04 1.15 36.44 -3.49 33.26 97.33 -5.14 35.38 96.58 coo 57.40 2.23 30.19 55.43 5.44 33.87 -9.76 35.16 95.20 -10.16 29.64 98.57 ULMN 3 1ybv_c01 TRIHYDROXYNAPHTHALENE REDUCTASE user 2 3 # 2 B 164 SER B 32 SER^? 18.05 O1 SO4 B 229 B 178 TYR B 45 TYR^? 13.10 O4 SO4 B 229 B 182 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo 61.22 3.61 34.51 60.46 1.86 35.98 14.02 25.45 109.10 14.28 25.64 111.53 coo 54.99 -1.20 35.40 56.04 1.15 36.44 10.04 26.44 102.60 11.44 24.36 103.85 coo 57.40 2.23 30.19 55.43 5.44 33.87 16.47 24.53 104.57 15.75 30.78 103.34 ULMN 3 1ybv_c01 TRIHYDROXYNAPHTHALENE REDUCTASE user 3 3 # 3 B 164 SER B 227 SER^? 13.75 O1 SO4 A 229 B 178 TYR B 45 TYR^? 13.10 O4 SO4 B 229 B 182 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo 61.22 3.61 34.51 60.46 1.86 35.98 14.71 30.25 109.72 16.59 31.22 108.47 coo 54.99 -1.20 35.40 56.04 1.15 36.44 10.04 26.44 102.60 11.44 24.36 103.85 coo 57.40 2.23 30.19 55.43 5.44 33.87 16.47 24.53 104.57 15.75 30.78 103.34 1ybv_c01 source 1ybv TRIHYDROXYNAPHTHALENE REDUCTASE : 3 hits 1ybv_c01 naa= 3 ULMN 3 1zrz_c03 PROTEIN KINASE C, IOTA user 1 3 # 1 A 369 ASP A 2 ASP~? 14.67 O2 SO4 A 230 A 371 LYS A 4 LYS~? 17.43 O2 SO4 A 230 A 374 ASN A 3 ASN~? 10.01 O2 SO4 A 230 coo -5.17 31.09 15.73 -7.07 31.12 16.73 -20.15 34.72 83.71 -22.03 35.03 82.80 coo -4.43 30.92 22.89 -6.61 31.91 19.71 -16.16 29.06 84.50 -18.43 23.53 86.96 coo -4.84 27.04 20.49 -6.40 27.76 19.26 -15.66 33.12 86.39 -15.82 35.16 86.97 ULMN 3 1zrz_c03 PROTEIN KINASE C, IOTA user 2 3 # 2 A 369 ASP A 39 ASP^? 5.87 O2 SO4 A 230 A 371 LYS A 4 LYS~? 17.43 O2 SO4 A 230 A 374 ASN A 3 ASN~? 10.01 O2 SO4 A 230 coo -5.17 31.09 15.73 -7.07 31.12 16.73 -16.67 33.15 92.05 -17.20 32.80 93.99 coo -4.43 30.92 22.89 -6.61 31.91 19.71 -16.16 29.06 84.50 -18.43 23.53 86.96 coo -4.84 27.04 20.49 -6.40 27.76 19.26 -15.66 33.12 86.39 -15.82 35.16 86.97 1zrz_c03 source 1zrz PROTEIN KINASE C, IOTA : 2 hits 1zrz_c03 naa= 3 ULMN 3 2aat_c01 ASPARTATE AMINOTRANSFERASE (E.C.2.6.user 1 3 # 1 142 TRP A 158 TRP^? 10.42 O4 SO4 A 229 223 ASP A 115 ASP^? 8.58 O1 SO4 A 229 258 ALA A 185 ALA^? 11.02 O2 SO4 A 229 coo 128.40 33.01 26.67 128.12 36.28 28.81 9.95 48.50 111.08 9.92 46.07 107.98 coo 127.91 41.73 23.55 129.18 40.35 24.44 15.77 43.56 105.82 15.72 41.47 106.14 coo 141.00 37.49 25.74 139.80 37.53 24.78 5.07 51.01 98.29 6.11 51.39 99.32 2aat_c01 source 2aat ASPARTATE AMINOTRANSFERASE (E.C.2.6.1.1) MUTAN: 1 hits 2aat_c01 naa= 3 ULMN 3 2adm_c00 ADENINE-N6-DNA-METHYLTRANSFERASE TAQuser 1 3 # 1 A 105 ASN A 14 ASN.? 15.31 O2 SO4 B 229 A 106 PRO A 42 PRO^? 15.62 O2 SO4 A 230 A 108 TYR A 44 TYR^? 11.44 O2 SO4 B 229 coo 34.91 38.94 20.48 33.53 38.20 19.00 -4.71 25.36 88.88 -5.40 23.36 89.18 coo 36.18 33.51 20.99 37.11 35.33 20.14 -10.14 25.29 88.85 -10.16 27.19 89.99 coo 33.01 33.46 15.68 31.96 34.97 17.80 -5.28 26.63 94.41 -7.11 24.62 93.85 ULMN 3 2adm_c00 ADENINE-N6-DNA-METHYLTRANSFERASE TAQuser 2 3 # 2 A 105 ASN B 14 ASN^? 14.30 O3 SO4 A 231 A 106 PRO B 42 PRO^? 16.33 O1 SO4 A 229 A 108 TYR B 44 TYR^? 11.15 O1 SO4 A 229 coo 34.91 38.94 20.48 33.53 38.20 19.00 16.26 28.09 91.11 15.87 29.49 92.68 coo 36.18 33.51 20.99 37.11 35.33 20.14 20.71 29.90 95.03 19.83 28.69 96.69 coo 33.01 33.46 15.68 31.96 34.97 17.80 13.68 30.43 97.38 15.80 32.10 96.60 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 14 ASN.? 15.31 O2 SO4 B 229 B 106 PRO A 42 PRO^? 15.62 O2 SO4 A 230 B 108 TYR A 44 TYR^? 11.44 O2 SO4 B 229 coo 5.98 38.14 46.94 7.30 38.92 45.46 -4.71 25.36 88.88 -5.40 23.36 89.18 coo 4.66 43.53 47.47 3.74 41.73 46.59 -10.14 25.29 88.85 -10.16 27.19 89.99 coo 7.86 43.80 42.15 8.87 42.26 44.27 -5.28 26.63 94.41 -7.11 24.62 93.85 ULMN 3 2adm_c01 ADENINE-N6-DNA-METHYLTRANSFERASE TAQuser 2 3 # 2 B 105 ASN B 14 ASN^? 14.30 O3 SO4 A 231 B 106 PRO B 42 PRO^? 16.33 O1 SO4 A 229 B 108 TYR B 44 TYR^? 11.15 O1 SO4 A 229 coo 5.98 38.14 46.94 7.30 38.92 45.46 16.26 28.09 91.11 15.87 29.49 92.68 coo 4.66 43.53 47.47 3.74 41.73 46.59 20.71 29.90 95.03 19.83 28.69 96.69 coo 7.86 43.80 42.15 8.87 42.26 44.27 13.68 30.43 97.38 15.80 32.10 96.60 2adm_c01 source 2adm ADENINE-N6-DNA-METHYLTRANSFERASE TAQI : 2 hits 2adm_c01 naa= 3 ULMN 3 2ag0_c04 BENZALDEHYDE LYASE user 1 3 # 1 B 29 HIS A 142 HIS^? 12.26 O4 SO4 A 229 B 50 GLU A 165 GLU^? 22.62 O4 SO4 A 229 B 113 GLN A 146 GLN^? 20.83 O4 SO4 A 229 coo 37.74 -17.01 11.59 38.11 -17.83 13.49 13.21 42.55 113.57 11.63 42.05 112.27 coo 46.64 -18.37 3.41 46.45 -20.27 4.34 6.08 50.50 121.81 4.00 50.92 121.97 coo 42.38 -20.40 13.90 41.08 -20.72 12.22 17.30 44.83 118.79 17.81 42.95 119.71 ULMN 3 2ag0_c04 BENZALDEHYDE LYASE user 2 3 # 2 B 29 HIS A 142 HIS^? 12.26 O4 SO4 A 229 B 50 GLU B 225 GLU^? 19.49 O1 SO4 A 229 B 113 GLN A 146 GLN^? 20.83 O4 SO4 A 229 coo 37.74 -17.01 11.59 38.11 -17.83 13.49 13.21 42.55 113.57 11.63 42.05 112.27 coo 46.64 -18.37 3.41 46.45 -20.27 4.34 14.37 32.38 117.86 15.62 34.05 118.38 coo 42.38 -20.40 13.90 41.08 -20.72 12.22 17.30 44.83 118.79 17.81 42.95 119.71 ULMN 3 2ag0_c04 BENZALDEHYDE LYASE user 3 3 # 3 B 29 HIS A 215 HIS^? -3.69 O3 SO4 A 230s B 50 GLU A 28 GLU^? 15.00 O4 SO4 A 229 B 113 GLN A 224 GLN^? 4.72 O3 SO4 A 230 coo 37.74 -17.01 11.59 38.11 -17.83 13.49 -13.92 40.67 99.66 -13.69 38.69 100.32 coo 46.64 -18.37 3.41 46.45 -20.27 4.34 -5.36 37.58 106.38 -6.12 37.04 108.31 coo 42.38 -20.40 13.90 41.08 -20.72 12.22 -16.13 39.14 104.70 -16.99 39.51 102.78 ULMN 3 2ag0_c04 BENZALDEHYDE LYASE user 4 3 # 4 B 29 HIS A 215 HIS^? -3.69 O3 SO4 A 230s B 50 GLU A 223 GLU^? 14.08 O3 SO4 A 230 B 113 GLN A 216 GLN^? 12.04 O3 SO4 A 230 coo 37.74 -17.01 11.59 38.11 -17.83 13.49 -13.92 40.67 99.66 -13.69 38.69 100.32 coo 46.64 -18.37 3.41 46.45 -20.27 4.34 -17.87 45.35 109.10 -19.33 45.72 110.62 coo 42.38 -20.40 13.90 41.08 -20.72 12.22 -8.40 44.89 101.35 -6.72 45.73 100.34 ULMN 3 2ag0_c04 BENZALDEHYDE LYASE user 5 3 # 5 B 29 HIS B 215 HIS^? 20.82 O1 SO4 B 229 B 50 GLU B 28 GLU^? 14.88 O3 SO4 B 229 B 113 GLN B 216 GLN^? 14.75 O1 SO4 B 229 coo 37.74 -17.01 11.59 38.11 -17.83 13.49 17.61 22.77 112.56 17.48 24.80 112.05 coo 46.64 -18.37 3.41 46.45 -20.27 4.34 7.08 27.54 112.66 7.38 29.31 113.76 coo 42.38 -20.40 13.90 41.08 -20.72 12.22 11.51 19.20 113.95 10.44 17.69 112.88 ULMN 3 2ag0_c04 BENZALDEHYDE LYASE user 6 3 # 6 B 29 HIS B 215 HIS^? 20.82 O1 SO4 B 229 B 50 GLU B 28 GLU^? 14.88 O3 SO4 B 229 B 113 GLN B 224 GLN^? 22.59 O1 SO4 A 229 coo 37.74 -17.01 11.59 38.11 -17.83 13.49 17.61 22.77 112.56 17.48 24.80 112.05 coo 46.64 -18.37 3.41 46.45 -20.27 4.34 7.08 27.54 112.66 7.38 29.31 113.76 coo 42.38 -20.40 13.90 41.08 -20.72 12.22 17.58 26.13 117.01 19.05 25.80 115.50 ULMN 3 2ag0_c04 BENZALDEHYDE LYASE user 7 3 # 7 B 29 HIS B 215 HIS^? 20.82 O1 SO4 B 229 B 50 GLU B 223 GLU^? 27.95 O3 SO4 B 229 B 113 GLN B 216 GLN^? 14.75 O1 SO4 B 229 coo 37.74 -17.01 11.59 38.11 -17.83 13.49 17.61 22.77 112.56 17.48 24.80 112.05 coo 46.64 -18.37 3.41 46.45 -20.27 4.34 18.86 25.12 122.56 20.16 23.43 122.41 coo 42.38 -20.40 13.90 41.08 -20.72 12.22 11.51 19.20 113.95 10.44 17.69 112.88 2ag0_c04 source 2ag0 BENZALDEHYDE LYASE : 7 hits 2ag0_c04 naa= 3 ULMN 3 2ag0_c08 BENZALDEHYDE LYASE user 1 3 # 1 B 29 HIS A 142 HIS^? 12.26 O4 SO4 A 229 B 50 GLU A 165 GLU^? 22.62 O4 SO4 A 229 B 113 GLN A 146 GLN^? 20.83 O4 SO4 A 229 coo 37.74 -17.01 11.59 38.11 -17.83 13.49 13.21 42.55 113.57 11.63 42.05 112.27 coo 46.64 -18.37 3.41 46.45 -20.27 4.34 6.08 50.50 121.81 4.00 50.92 121.97 coo 42.38 -20.40 13.90 41.08 -20.72 12.22 17.30 44.83 118.79 17.81 42.95 119.71 ULMN 3 2ag0_c08 BENZALDEHYDE LYASE user 2 3 # 2 B 29 HIS A 142 HIS^? 12.26 O4 SO4 A 229 B 50 GLU B 225 GLU^? 19.49 O1 SO4 A 229 B 113 GLN A 146 GLN^? 20.83 O4 SO4 A 229 coo 37.74 -17.01 11.59 38.11 -17.83 13.49 13.21 42.55 113.57 11.63 42.05 112.27 coo 46.64 -18.37 3.41 46.45 -20.27 4.34 14.37 32.38 117.86 15.62 34.05 118.38 coo 42.38 -20.40 13.90 41.08 -20.72 12.22 17.30 44.83 118.79 17.81 42.95 119.71 ULMN 3 2ag0_c08 BENZALDEHYDE LYASE user 3 3 # 3 B 29 HIS A 215 HIS^? -3.69 O3 SO4 A 230s B 50 GLU A 28 GLU^? 15.00 O4 SO4 A 229 B 113 GLN A 224 GLN^? 4.72 O3 SO4 A 230 coo 37.74 -17.01 11.59 38.11 -17.83 13.49 -13.92 40.67 99.66 -13.69 38.69 100.32 coo 46.64 -18.37 3.41 46.45 -20.27 4.34 -5.36 37.58 106.38 -6.12 37.04 108.31 coo 42.38 -20.40 13.90 41.08 -20.72 12.22 -16.13 39.14 104.70 -16.99 39.51 102.78 ULMN 3 2ag0_c08 BENZALDEHYDE LYASE user 4 3 # 4 B 29 HIS A 215 HIS^? -3.69 O3 SO4 A 230s B 50 GLU A 223 GLU^? 14.08 O3 SO4 A 230 B 113 GLN A 216 GLN^? 12.04 O3 SO4 A 230 coo 37.74 -17.01 11.59 38.11 -17.83 13.49 -13.92 40.67 99.66 -13.69 38.69 100.32 coo 46.64 -18.37 3.41 46.45 -20.27 4.34 -17.87 45.35 109.10 -19.33 45.72 110.62 coo 42.38 -20.40 13.90 41.08 -20.72 12.22 -8.40 44.89 101.35 -6.72 45.73 100.34 ULMN 3 2ag0_c08 BENZALDEHYDE LYASE user 5 3 # 5 B 29 HIS B 215 HIS^? 20.82 O1 SO4 B 229 B 50 GLU B 28 GLU^? 14.88 O3 SO4 B 229 B 113 GLN B 216 GLN^? 14.75 O1 SO4 B 229 coo 37.74 -17.01 11.59 38.11 -17.83 13.49 17.61 22.77 112.56 17.48 24.80 112.05 coo 46.64 -18.37 3.41 46.45 -20.27 4.34 7.08 27.54 112.66 7.38 29.31 113.76 coo 42.38 -20.40 13.90 41.08 -20.72 12.22 11.51 19.20 113.95 10.44 17.69 112.88 ULMN 3 2ag0_c08 BENZALDEHYDE LYASE user 6 3 # 6 B 29 HIS B 215 HIS^? 20.82 O1 SO4 B 229 B 50 GLU B 28 GLU^? 14.88 O3 SO4 B 229 B 113 GLN B 224 GLN^? 22.59 O1 SO4 A 229 coo 37.74 -17.01 11.59 38.11 -17.83 13.49 17.61 22.77 112.56 17.48 24.80 112.05 coo 46.64 -18.37 3.41 46.45 -20.27 4.34 7.08 27.54 112.66 7.38 29.31 113.76 coo 42.38 -20.40 13.90 41.08 -20.72 12.22 17.58 26.13 117.01 19.05 25.80 115.50 ULMN 3 2ag0_c08 BENZALDEHYDE LYASE user 7 3 # 7 B 29 HIS B 215 HIS^? 20.82 O1 SO4 B 229 B 50 GLU B 223 GLU^? 27.95 O3 SO4 B 229 B 113 GLN B 216 GLN^? 14.75 O1 SO4 B 229 coo 37.74 -17.01 11.59 38.11 -17.83 13.49 17.61 22.77 112.56 17.48 24.80 112.05 coo 46.64 -18.37 3.41 46.45 -20.27 4.34 18.86 25.12 122.56 20.16 23.43 122.41 coo 42.38 -20.40 13.90 41.08 -20.72 12.22 11.51 19.20 113.95 10.44 17.69 112.88 2ag0_c08 source 2ag0 BENZALDEHYDE LYASE : 7 hits 2ag0_c08 naa= 3 ULMN 3 2ag0_c09 BENZALDEHYDE LYASE user 1 3 # 1 A 29 HIS A 142 HIS^? 12.26 O4 SO4 A 229 A 50 GLU A 165 GLU^? 22.62 O4 SO4 A 229 A 113 GLN A 146 GLN^? 20.83 O4 SO4 A 229 coo 73.37 -13.43 4.64 73.06 -11.77 3.39 13.21 42.55 113.57 11.63 42.05 112.27 coo 63.97 -21.08 5.81 64.12 -20.78 3.71 6.08 50.50 121.81 4.00 50.92 121.97 coo 68.60 -11.76 1.04 69.76 -13.55 1.03 17.30 44.83 118.79 17.81 42.95 119.71 ULMN 3 2ag0_c09 BENZALDEHYDE LYASE user 2 3 # 2 A 29 HIS A 142 HIS^? 12.26 O4 SO4 A 229 A 50 GLU B 225 GLU^? 19.49 O1 SO4 A 229 A 113 GLN A 146 GLN^? 20.83 O4 SO4 A 229 coo 73.37 -13.43 4.64 73.06 -11.77 3.39 13.21 42.55 113.57 11.63 42.05 112.27 coo 63.97 -21.08 5.81 64.12 -20.78 3.71 14.37 32.38 117.86 15.62 34.05 118.38 coo 68.60 -11.76 1.04 69.76 -13.55 1.03 17.30 44.83 118.79 17.81 42.95 119.71 ULMN 3 2ag0_c09 BENZALDEHYDE LYASE user 3 3 # 3 A 29 HIS A 215 HIS^? -3.69 O3 SO4 A 230s A 50 GLU A 28 GLU^? 15.00 O4 SO4 A 229 A 113 GLN A 224 GLN^? 4.72 O3 SO4 A 230 coo 73.37 -13.43 4.64 73.06 -11.77 3.39 -13.92 40.67 99.66 -13.69 38.69 100.32 coo 63.97 -21.08 5.81 64.12 -20.78 3.71 -5.36 37.58 106.38 -6.12 37.04 108.31 coo 68.60 -11.76 1.04 69.76 -13.55 1.03 -16.13 39.14 104.70 -16.99 39.51 102.78 ULMN 3 2ag0_c09 BENZALDEHYDE LYASE user 4 3 # 4 A 29 HIS A 215 HIS^? -3.69 O3 SO4 A 230s A 50 GLU A 223 GLU^? 14.08 O3 SO4 A 230 A 113 GLN A 216 GLN^? 12.04 O3 SO4 A 230 coo 73.37 -13.43 4.64 73.06 -11.77 3.39 -13.92 40.67 99.66 -13.69 38.69 100.32 coo 63.97 -21.08 5.81 64.12 -20.78 3.71 -17.87 45.35 109.10 -19.33 45.72 110.62 coo 68.60 -11.76 1.04 69.76 -13.55 1.03 -8.40 44.89 101.35 -6.72 45.73 100.34 ULMN 3 2ag0_c09 BENZALDEHYDE LYASE user 5 3 # 5 A 29 HIS B 215 HIS^? 20.82 O1 SO4 B 229 A 50 GLU B 28 GLU^? 14.88 O3 SO4 B 229 A 113 GLN B 216 GLN^? 14.75 O1 SO4 B 229 coo 73.37 -13.43 4.64 73.06 -11.77 3.39 17.61 22.77 112.56 17.48 24.80 112.05 coo 63.97 -21.08 5.81 64.12 -20.78 3.71 7.08 27.54 112.66 7.38 29.31 113.76 coo 68.60 -11.76 1.04 69.76 -13.55 1.03 11.51 19.20 113.95 10.44 17.69 112.88 ULMN 3 2ag0_c09 BENZALDEHYDE LYASE user 6 3 # 6 A 29 HIS B 215 HIS^? 20.82 O1 SO4 B 229 A 50 GLU B 28 GLU^? 14.88 O3 SO4 B 229 A 113 GLN B 224 GLN^? 22.59 O1 SO4 A 229 coo 73.37 -13.43 4.64 73.06 -11.77 3.39 17.61 22.77 112.56 17.48 24.80 112.05 coo 63.97 -21.08 5.81 64.12 -20.78 3.71 7.08 27.54 112.66 7.38 29.31 113.76 coo 68.60 -11.76 1.04 69.76 -13.55 1.03 17.58 26.13 117.01 19.05 25.80 115.50 ULMN 3 2ag0_c09 BENZALDEHYDE LYASE user 7 3 # 7 A 29 HIS B 215 HIS^? 20.82 O1 SO4 B 229 A 50 GLU B 223 GLU^? 27.95 O3 SO4 B 229 A 113 GLN B 216 GLN^? 14.75 O1 SO4 B 229 coo 73.37 -13.43 4.64 73.06 -11.77 3.39 17.61 22.77 112.56 17.48 24.80 112.05 coo 63.97 -21.08 5.81 64.12 -20.78 3.71 18.86 25.12 122.56 20.16 23.43 122.41 coo 68.60 -11.76 1.04 69.76 -13.55 1.03 11.51 19.20 113.95 10.44 17.69 112.88 2ag0_c09 source 2ag0 BENZALDEHYDE LYASE : 7 hits 2ag0_c09 naa= 3 ULMN 3 2ag0_c10 BENZALDEHYDE LYASE user 1 3 # 1 C 29 HIS A 142 HIS^? 12.26 O4 SO4 A 229 C 50 GLU A 165 GLU^? 22.62 O4 SO4 A 229 C 113 GLN A 146 GLN^? 20.83 O4 SO4 A 229 coo 74.92 8.52 28.42 74.88 6.86 29.70 13.21 42.55 113.57 11.63 42.05 112.27 coo 65.25 15.95 28.73 65.73 15.63 30.78 6.08 50.50 121.81 4.00 50.92 121.97 coo 70.80 6.73 32.72 71.88 8.55 32.53 17.30 44.83 118.79 17.81 42.95 119.71 ULMN 3 2ag0_c10 BENZALDEHYDE LYASE user 2 3 # 2 C 29 HIS A 142 HIS^? 12.26 O4 SO4 A 229 C 50 GLU B 225 GLU^? 19.49 O1 SO4 A 229 C 113 GLN A 146 GLN^? 20.83 O4 SO4 A 229 coo 74.92 8.52 28.42 74.88 6.86 29.70 13.21 42.55 113.57 11.63 42.05 112.27 coo 65.25 15.95 28.73 65.73 15.63 30.78 14.37 32.38 117.86 15.62 34.05 118.38 coo 70.80 6.73 32.72 71.88 8.55 32.53 17.30 44.83 118.79 17.81 42.95 119.71 ULMN 3 2ag0_c10 BENZALDEHYDE LYASE user 3 3 # 3 C 29 HIS A 215 HIS^? -3.69 O3 SO4 A 230s C 50 GLU A 28 GLU^? 15.00 O4 SO4 A 229 C 113 GLN A 224 GLN^? 4.72 O3 SO4 A 230 coo 74.92 8.52 28.42 74.88 6.86 29.70 -13.92 40.67 99.66 -13.69 38.69 100.32 coo 65.25 15.95 28.73 65.73 15.63 30.78 -5.36 37.58 106.38 -6.12 37.04 108.31 coo 70.80 6.73 32.72 71.88 8.55 32.53 -16.13 39.14 104.70 -16.99 39.51 102.78 ULMN 3 2ag0_c10 BENZALDEHYDE LYASE user 4 3 # 4 C 29 HIS A 215 HIS^? -3.69 O3 SO4 A 230s C 50 GLU A 223 GLU^? 14.08 O3 SO4 A 230 C 113 GLN A 216 GLN^? 12.04 O3 SO4 A 230 coo 74.92 8.52 28.42 74.88 6.86 29.70 -13.92 40.67 99.66 -13.69 38.69 100.32 coo 65.25 15.95 28.73 65.73 15.63 30.78 -17.87 45.35 109.10 -19.33 45.72 110.62 coo 70.80 6.73 32.72 71.88 8.55 32.53 -8.40 44.89 101.35 -6.72 45.73 100.34 ULMN 3 2ag0_c10 BENZALDEHYDE LYASE user 5 3 # 5 C 29 HIS B 215 HIS^? 20.82 O1 SO4 B 229 C 50 GLU B 28 GLU^? 14.88 O3 SO4 B 229 C 113 GLN B 216 GLN^? 14.75 O1 SO4 B 229 coo 74.92 8.52 28.42 74.88 6.86 29.70 17.61 22.77 112.56 17.48 24.80 112.05 coo 65.25 15.95 28.73 65.73 15.63 30.78 7.08 27.54 112.66 7.38 29.31 113.76 coo 70.80 6.73 32.72 71.88 8.55 32.53 11.51 19.20 113.95 10.44 17.69 112.88 ULMN 3 2ag0_c10 BENZALDEHYDE LYASE user 6 3 # 6 C 29 HIS B 215 HIS^? 20.82 O1 SO4 B 229 C 50 GLU B 28 GLU^? 14.88 O3 SO4 B 229 C 113 GLN B 224 GLN^? 22.59 O1 SO4 A 229 coo 74.92 8.52 28.42 74.88 6.86 29.70 17.61 22.77 112.56 17.48 24.80 112.05 coo 65.25 15.95 28.73 65.73 15.63 30.78 7.08 27.54 112.66 7.38 29.31 113.76 coo 70.80 6.73 32.72 71.88 8.55 32.53 17.58 26.13 117.01 19.05 25.80 115.50 ULMN 3 2ag0_c10 BENZALDEHYDE LYASE user 7 3 # 7 C 29 HIS B 215 HIS^? 20.82 O1 SO4 B 229 C 50 GLU B 223 GLU^? 27.95 O3 SO4 B 229 C 113 GLN B 216 GLN^? 14.75 O1 SO4 B 229 coo 74.92 8.52 28.42 74.88 6.86 29.70 17.61 22.77 112.56 17.48 24.80 112.05 coo 65.25 15.95 28.73 65.73 15.63 30.78 18.86 25.12 122.56 20.16 23.43 122.41 coo 70.80 6.73 32.72 71.88 8.55 32.53 11.51 19.20 113.95 10.44 17.69 112.88 2ag0_c10 source 2ag0 BENZALDEHYDE LYASE : 7 hits 2ag0_c10 naa= 3 ULMN 3 2ag0_c11 BENZALDEHYDE LYASE user 1 3 # 1 D 29 HIS A 142 HIS^? 12.26 O4 SO4 A 229 D 50 GLU A 165 GLU^? 22.62 O4 SO4 A 229 D 113 GLN A 146 GLN^? 20.83 O4 SO4 A 229 coo 38.66 11.31 27.15 38.67 12.13 25.22 13.21 42.55 113.57 11.63 42.05 112.27 coo 48.72 12.85 33.83 48.36 14.77 32.95 6.08 50.50 121.81 4.00 50.92 121.97 coo 42.85 14.77 24.15 41.85 15.11 26.02 17.30 44.83 118.79 17.81 42.95 119.71 ULMN 3 2ag0_c11 BENZALDEHYDE LYASE user 2 3 # 2 D 29 HIS A 142 HIS^? 12.26 O4 SO4 A 229 D 50 GLU B 225 GLU^? 19.49 O1 SO4 A 229 D 113 GLN A 146 GLN^? 20.83 O4 SO4 A 229 coo 38.66 11.31 27.15 38.67 12.13 25.22 13.21 42.55 113.57 11.63 42.05 112.27 coo 48.72 12.85 33.83 48.36 14.77 32.95 14.37 32.38 117.86 15.62 34.05 118.38 coo 42.85 14.77 24.15 41.85 15.11 26.02 17.30 44.83 118.79 17.81 42.95 119.71 ULMN 3 2ag0_c11 BENZALDEHYDE LYASE user 3 3 # 3 D 29 HIS A 215 HIS^? -3.69 O3 SO4 A 230s D 50 GLU A 28 GLU^? 15.00 O4 SO4 A 229 D 113 GLN A 224 GLN^? 4.72 O3 SO4 A 230 coo 38.66 11.31 27.15 38.67 12.13 25.22 -13.92 40.67 99.66 -13.69 38.69 100.32 coo 48.72 12.85 33.83 48.36 14.77 32.95 -5.36 37.58 106.38 -6.12 37.04 108.31 coo 42.85 14.77 24.15 41.85 15.11 26.02 -16.13 39.14 104.70 -16.99 39.51 102.78 ULMN 3 2ag0_c11 BENZALDEHYDE LYASE user 4 3 # 4 D 29 HIS A 215 HIS^? -3.69 O3 SO4 A 230s D 50 GLU A 223 GLU^? 14.08 O3 SO4 A 230 D 113 GLN A 216 GLN^? 12.04 O3 SO4 A 230 coo 38.66 11.31 27.15 38.67 12.13 25.22 -13.92 40.67 99.66 -13.69 38.69 100.32 coo 48.72 12.85 33.83 48.36 14.77 32.95 -17.87 45.35 109.10 -19.33 45.72 110.62 coo 42.85 14.77 24.15 41.85 15.11 26.02 -8.40 44.89 101.35 -6.72 45.73 100.34 ULMN 3 2ag0_c11 BENZALDEHYDE LYASE user 5 3 # 5 D 29 HIS B 215 HIS^? 20.82 O1 SO4 B 229 D 50 GLU B 28 GLU^? 14.88 O3 SO4 B 229 D 113 GLN B 216 GLN^? 14.75 O1 SO4 B 229 coo 38.66 11.31 27.15 38.67 12.13 25.22 17.61 22.77 112.56 17.48 24.80 112.05 coo 48.72 12.85 33.83 48.36 14.77 32.95 7.08 27.54 112.66 7.38 29.31 113.76 coo 42.85 14.77 24.15 41.85 15.11 26.02 11.51 19.20 113.95 10.44 17.69 112.88 ULMN 3 2ag0_c11 BENZALDEHYDE LYASE user 6 3 # 6 D 29 HIS B 215 HIS^? 20.82 O1 SO4 B 229 D 50 GLU B 28 GLU^? 14.88 O3 SO4 B 229 D 113 GLN B 224 GLN^? 22.59 O1 SO4 A 229 coo 38.66 11.31 27.15 38.67 12.13 25.22 17.61 22.77 112.56 17.48 24.80 112.05 coo 48.72 12.85 33.83 48.36 14.77 32.95 7.08 27.54 112.66 7.38 29.31 113.76 coo 42.85 14.77 24.15 41.85 15.11 26.02 17.58 26.13 117.01 19.05 25.80 115.50 ULMN 3 2ag0_c11 BENZALDEHYDE LYASE user 7 3 # 7 D 29 HIS B 215 HIS^? 20.82 O1 SO4 B 229 D 50 GLU B 223 GLU^? 27.95 O3 SO4 B 229 D 113 GLN B 216 GLN^? 14.75 O1 SO4 B 229 coo 38.66 11.31 27.15 38.67 12.13 25.22 17.61 22.77 112.56 17.48 24.80 112.05 coo 48.72 12.85 33.83 48.36 14.77 32.95 18.86 25.12 122.56 20.16 23.43 122.41 coo 42.85 14.77 24.15 41.85 15.11 26.02 11.51 19.20 113.95 10.44 17.69 112.88 2ag0_c11 source 2ag0 BENZALDEHYDE LYASE : 7 hits 2ag0_c11 naa= 3 ULMN 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 1 3 # 1 193 ASP A 11 ASP.? 21.96 O2 SO4 A 231 231 ASP B 52 ASP^? 8.63 O2 SO4 B 229 294 ASP A 196 ASP^? 13.16 O4 SO4 A 231 coo 27.89 102.52 14.98 29.35 101.92 13.57 -4.20 26.29 77.28 -4.78 26.04 75.24 coo 14.74 93.05 -1.00 14.30 94.22 0.73 -5.20 17.74 96.96 -6.16 15.91 97.49 coo 33.16 106.80 7.72 33.34 104.87 6.92 1.09 35.34 80.24 -0.14 33.75 80.95 ULMN 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 2 3 # 2 193 ASP A 11 ASP.? 21.96 O2 SO4 A 231 231 ASP B 195 ASP^? 23.57 O1 SO4 B 229 294 ASP A 64 ASP^? 16.48 O4 SO4 A 231 coo 27.89 102.52 14.98 29.35 101.92 13.57 -4.20 26.29 77.28 -4.78 26.04 75.24 coo 14.74 93.05 -1.00 14.30 94.22 0.73 10.49 11.54 85.09 9.59 13.42 84.64 coo 33.16 106.80 7.72 33.34 104.87 6.92 -0.89 32.13 86.35 -1.06 30.06 86.04 ULMN 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 3 3 # 3 193 ASP A 11 ASP.? 21.96 O2 SO4 A 231 231 ASP B 195 ASP^? 23.57 O1 SO4 B 229 294 ASP A 196 ASP^? 13.16 O4 SO4 A 231 coo 27.89 102.52 14.98 29.35 101.92 13.57 -4.20 26.29 77.28 -4.78 26.04 75.24 coo 14.74 93.05 -1.00 14.30 94.22 0.73 10.49 11.54 85.09 9.59 13.42 84.64 coo 33.16 106.80 7.72 33.34 104.87 6.92 1.09 35.34 80.24 -0.14 33.75 80.95 ULMN 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 4 3 # 4 193 ASP A 11 ASP.? 21.96 O2 SO4 A 231 231 ASP B 196 ASP^? 21.51 O1 SO4 B 229 294 ASP A 196 ASP^? 13.16 O4 SO4 A 231 coo 27.89 102.52 14.98 29.35 101.92 13.57 -4.20 26.29 77.28 -4.78 26.04 75.24 coo 14.74 93.05 -1.00 14.30 94.22 0.73 12.23 15.64 88.97 13.40 17.43 88.99 coo 33.16 106.80 7.72 33.34 104.87 6.92 1.09 35.34 80.24 -0.14 33.75 80.95 ULMN 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 5 3 # 5 193 ASP A 52 ASP^? 8.69 O1 SO4 A 229 231 ASP A 195 ASP^? 8.92 O2 SO4 A 231 294 ASP A 120 ASP^? 7.17 O2 SO4 A 229 coo 27.89 102.52 14.98 29.35 101.92 13.57 13.74 39.26 94.65 14.56 41.23 94.45 coo 14.74 93.05 -1.00 14.30 94.22 0.73 4.21 36.83 75.89 5.47 37.96 74.68 coo 33.16 106.80 7.72 33.34 104.87 6.92 9.29 47.78 99.49 7.80 47.36 98.01 ULMN 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 6 3 # 6 193 ASP A 64 ASP^? 16.48 O4 SO4 A 231 231 ASP B 196 ASP^? 21.51 O1 SO4 B 229 294 ASP A 11 ASP.? 21.96 O2 SO4 A 231 coo 27.89 102.52 14.98 29.35 101.92 13.57 -0.89 32.13 86.35 -1.06 30.06 86.04 coo 14.74 93.05 -1.00 14.30 94.22 0.73 12.23 15.64 88.97 13.40 17.43 88.99 coo 33.16 106.80 7.72 33.34 104.87 6.92 -4.20 26.29 77.28 -4.78 26.04 75.24 ULMN 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 7 3 # 7 193 ASP A 115 ASP^? 8.58 O1 SO4 A 229 231 ASP A 133 ASP^? 29.47 O1 SO4 A 229 294 ASP A 120 ASP^? 7.17 O2 SO4 A 229 coo 27.89 102.52 14.98 29.35 101.92 13.57 15.77 43.56 105.82 15.72 41.47 106.14 coo 14.74 93.05 -1.00 14.30 94.22 0.73 28.68 60.10 102.11 30.08 60.54 100.57 coo 33.16 106.80 7.72 33.34 104.87 6.92 9.29 47.78 99.49 7.80 47.36 98.01 ULMN 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 8 3 # 8 193 ASP A 120 ASP^? 7.17 O2 SO4 A 229 231 ASP A 131 ASP^? 27.86 O1 SO4 A 231 294 ASP A 52 ASP^? 8.69 O1 SO4 A 229 coo 27.89 102.52 14.98 29.35 101.92 13.57 9.29 47.78 99.49 7.80 47.36 98.01 coo 14.74 93.05 -1.00 14.30 94.22 0.73 23.62 62.30 95.31 25.14 61.71 93.92 coo 33.16 106.80 7.72 33.34 104.87 6.92 13.74 39.26 94.65 14.56 41.23 94.45 ULMN 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 9 3 # 9 193 ASP A 120 ASP^? 7.17 O2 SO4 A 229 231 ASP A 131 ASP^? 27.86 O1 SO4 A 231 294 ASP A 115 ASP^? 8.58 O1 SO4 A 229 coo 27.89 102.52 14.98 29.35 101.92 13.57 9.29 47.78 99.49 7.80 47.36 98.01 coo 14.74 93.05 -1.00 14.30 94.22 0.73 23.62 62.30 95.31 25.14 61.71 93.92 coo 33.16 106.80 7.72 33.34 104.87 6.92 15.77 43.56 105.82 15.72 41.47 106.14 ULMN 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 10 3 # 10 193 ASP A 126 ASP^? 16.24 O1 SO4 A 229 231 ASP A 152 ASP^? 26.69 O1 SO4 A 229 294 ASP A 120 ASP^? 7.17 O2 SO4 A 229 coo 27.89 102.52 14.98 29.35 101.92 13.57 18.12 53.54 96.53 19.31 51.77 96.80 coo 14.74 93.05 -1.00 14.30 94.22 0.73 26.30 50.40 115.87 28.14 49.86 116.76 coo 33.16 106.80 7.72 33.34 104.87 6.92 9.29 47.78 99.49 7.80 47.36 98.01 ULMN 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 11 3 # 11 193 ASP A 126 ASP^? 16.24 O1 SO4 A 229 231 ASP A 152 ASP^? 26.69 O1 SO4 A 229 294 ASP A 131 ASP^? 27.86 O1 SO4 A 231 coo 27.89 102.52 14.98 29.35 101.92 13.57 18.12 53.54 96.53 19.31 51.77 96.80 coo 14.74 93.05 -1.00 14.30 94.22 0.73 26.30 50.40 115.87 28.14 49.86 116.76 coo 33.16 106.80 7.72 33.34 104.87 6.92 23.62 62.30 95.31 25.14 61.71 93.92 ULMN 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 12 3 # 12 193 ASP A 131 ASP^? 27.86 O1 SO4 A 231 231 ASP A 120 ASP^? 7.17 O2 SO4 A 229 294 ASP A 133 ASP^? 29.47 O1 SO4 A 229 coo 27.89 102.52 14.98 29.35 101.92 13.57 23.62 62.30 95.31 25.14 61.71 93.92 coo 14.74 93.05 -1.00 14.30 94.22 0.73 9.29 47.78 99.49 7.80 47.36 98.01 coo 33.16 106.80 7.72 33.34 104.87 6.92 28.68 60.10 102.11 30.08 60.54 100.57 ULMN 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 13 3 # 13 193 ASP A 133 ASP^? 29.47 O1 SO4 A 229 231 ASP A 115 ASP^? 8.58 O1 SO4 A 229 294 ASP A 131 ASP^? 27.86 O1 SO4 A 231 coo 27.89 102.52 14.98 29.35 101.92 13.57 28.68 60.10 102.11 30.08 60.54 100.57 coo 14.74 93.05 -1.00 14.30 94.22 0.73 15.77 43.56 105.82 15.72 41.47 106.14 coo 33.16 106.80 7.72 33.34 104.87 6.92 23.62 62.30 95.31 25.14 61.71 93.92 ULMN 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 14 3 # 14 193 ASP A 196 ASP^? 13.16 O4 SO4 A 231 231 ASP A 208 ASP^? 7.66 O1 SO4 A 230 294 ASP A 11 ASP.? 21.96 O2 SO4 A 231 coo 27.89 102.52 14.98 29.35 101.92 13.57 1.09 35.34 80.24 -0.14 33.75 80.95 coo 14.74 93.05 -1.00 14.30 94.22 0.73 -15.69 43.98 89.75 -16.79 45.74 90.29 coo 33.16 106.80 7.72 33.34 104.87 6.92 -4.20 26.29 77.28 -4.78 26.04 75.24 ULMN 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 15 3 # 15 193 ASP A 196 ASP^? 13.16 O4 SO4 A 231 231 ASP B 64 ASP^? 18.27 O3 SO4 A 231 294 ASP A 11 ASP.? 21.96 O2 SO4 A 231 coo 27.89 102.52 14.98 29.35 101.92 13.57 1.09 35.34 80.24 -0.14 33.75 80.95 coo 14.74 93.05 -1.00 14.30 94.22 0.73 12.23 21.46 92.76 12.58 23.03 91.40 coo 33.16 106.80 7.72 33.34 104.87 6.92 -4.20 26.29 77.28 -4.78 26.04 75.24 ULMN 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 16 3 # 16 193 ASP A 196 ASP^? 13.16 O4 SO4 A 231 231 ASP B 196 ASP^? 21.51 O1 SO4 B 229 294 ASP A 11 ASP.? 21.96 O2 SO4 A 231 coo 27.89 102.52 14.98 29.35 101.92 13.57 1.09 35.34 80.24 -0.14 33.75 80.95 coo 14.74 93.05 -1.00 14.30 94.22 0.73 12.23 15.64 88.97 13.40 17.43 88.99 coo 33.16 106.80 7.72 33.34 104.87 6.92 -4.20 26.29 77.28 -4.78 26.04 75.24 ULMN 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 17 3 # 17 193 ASP B 126 ASP^? 13.57 O2 SO4 B 229 231 ASP B 152 ASP^? 28.21 O3 SO4 B 229 294 ASP B 120 ASP^? 8.68 O3 SO4 B 229 coo 27.89 102.52 14.98 29.35 101.92 13.57 -11.35 10.60 108.40 -13.06 11.59 107.65 coo 14.74 93.05 -1.00 14.30 94.22 0.73 -23.75 16.28 125.41 -24.46 16.83 123.47 coo 33.16 106.80 7.72 33.34 104.87 6.92 -4.32 17.92 112.37 -3.28 16.49 113.53 2amg_c06 source 2amg 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLASE : 17 hits 2amg_c06 naa= 3 ULMN 3 2apr_c04 ACID PROTEINASE (RHIZOPUSPEPSIN) (E.user 1 3 # 1 35 ASP A 2 ASP~? 14.67 O2 SO4 A 230 38 SER A -2 SER~? 12.73 O2 SO4 A 230 218 ASP A 39 ASP^? 5.87 O2 SO4 A 230 coo 41.14 58.72 105.19 42.39 59.85 103.92 -20.15 34.72 83.71 -22.03 35.03 82.80 coo 46.04 57.35 103.96 44.97 58.52 105.78 -23.89 33.29 87.49 -25.22 35.21 86.74 coo 41.33 60.20 97.63 42.00 60.96 99.49 -16.67 33.15 92.05 -17.20 32.80 93.99 ULMN 3 2apr_c04 ACID PROTEINASE (RHIZOPUSPEPSIN) (E.user 2 3 # 2 35 ASP A 115 ASP^? 8.58 O1 SO4 A 229 38 SER A 140 SER^? 13.33 O1 SO4 A 229 218 ASP A 138 ASP^? 13.32 O1 SO4 A 229 coo 41.14 58.72 105.19 42.39 59.85 103.92 15.77 43.56 105.82 15.72 41.47 106.14 coo 46.04 57.35 103.96 44.97 58.52 105.78 16.67 42.99 109.88 16.46 41.74 111.93 coo 41.33 60.20 97.63 42.00 60.96 99.49 23.15 43.17 105.53 21.70 41.96 104.55 ULMN 3 2apr_c04 ACID PROTEINASE (RHIZOPUSPEPSIN) (E.user 3 3 # 3 35 ASP B 115 ASP^? 13.85 O3 SO4 B 229 38 SER B 140 SER^? 18.74 O3 SO4 B 229 218 ASP B 138 ASP^? 17.24 O3 SO4 B 229 coo 41.14 58.72 105.19 42.39 59.85 103.92 -12.10 21.41 116.25 -11.91 23.51 116.16 coo 46.04 57.35 103.96 44.97 58.52 105.78 -13.55 22.77 120.12 -12.47 24.15 121.85 coo 41.33 60.20 97.63 42.00 60.96 99.49 -19.34 21.74 114.74 -17.84 23.07 113.94 2apr_c04 source 2apr ACID PROTEINASE (RHIZOPUSPEPSIN) (E.C.3.4.23.6: 3 hits 2apr_c04 naa= 3 ULMN 3 2bhg_c02 FOOT-AND-MOUTH DISEASE VIRUS 3C PROTuser 1 3 # 1 B 46 HIS A 215 HIS^? -3.69 O3 SO4 A 230s B 163 ALA A 31 ALA^? 12.33 O3 SO4 A 230 B 182 SER A 32 SER^? 6.95 O3 SO4 A 230 coo 30.42 1.98 4.36 29.07 0.41 4.68 -13.92 40.67 99.66 -13.69 38.69 100.32 coo 25.72 -4.33 3.52 26.60 -3.24 4.12 -5.97 37.85 99.42 -5.18 37.00 100.43 coo 24.00 -0.17 2.07 24.51 1.00 0.04 -9.65 37.25 100.15 -11.63 37.02 101.57 ULMN 3 2bhg_c02 FOOT-AND-MOUTH DISEASE VIRUS 3C PROTuser 2 3 # 2 B 46 HIS A 215 HIS^? -3.69 O3 SO4 A 230s B 163 ALA A 36 ALA^? -3.57 O2 SO4 A 230s B 182 SER A 32 SER^? 6.95 O3 SO4 A 230 coo 30.42 1.98 4.36 29.07 0.41 4.68 -13.92 40.67 99.66 -13.69 38.69 100.32 coo 25.72 -4.33 3.52 26.60 -3.24 4.12 -13.44 36.17 95.40 -14.03 37.17 96.38 coo 24.00 -0.17 2.07 24.51 1.00 0.04 -9.65 37.25 100.15 -11.63 37.02 101.57 ULMN 3 2bhg_c02 FOOT-AND-MOUTH DISEASE VIRUS 3C PROTuser 3 3 # 3 B 46 HIS B 215 HIS^? 20.82 O1 SO4 B 229 B 163 ALA B 31 ALA^? 12.64 O4 SO4 B 229 B 182 SER B 32 SER^? 18.05 O1 SO4 B 229 coo 30.42 1.98 4.36 29.07 0.41 4.68 17.61 22.77 112.56 17.48 24.80 112.05 coo 25.72 -4.33 3.52 26.60 -3.24 4.12 10.97 23.81 107.56 9.99 24.95 107.47 coo 24.00 -0.17 2.07 24.51 1.00 0.04 14.02 25.45 109.10 14.28 25.64 111.53 ULMN 3 2bhg_c02 FOOT-AND-MOUTH DISEASE VIRUS 3C PROTuser 4 3 # 4 B 46 HIS B 215 HIS^? 20.82 O1 SO4 B 229 B 163 ALA B 36 ALA^? 20.36 O1 SO4 A 229 B 182 SER B 32 SER^? 18.05 O1 SO4 B 229 coo 30.42 1.98 4.36 29.07 0.41 4.68 17.61 22.77 112.56 17.48 24.80 112.05 coo 25.72 -4.33 3.52 26.60 -3.24 4.12 19.71 24.24 106.64 19.77 24.19 108.16 coo 24.00 -0.17 2.07 24.51 1.00 0.04 14.02 25.45 109.10 14.28 25.64 111.53 2bhg_c02 source 2bhg FOOT-AND-MOUTH DISEASE VIRUS 3C PROTEASE : 4 hits 2bhg_c02 naa= 3 ULMN 3 2c7v_c08 PTERIDINE REDUCTASE user 1 3 # 1 A 14 ARG A 193 ARG^? 10.95 O4 SO4 A 231 A 161 ASP A 52 ASP^? 8.69 O1 SO4 A 229 A 174 TYR A 76 TYR^? 9.48 O2 SO4 A 229 coo 14.43 -13.26 8.40 11.75 -14.25 9.60 5.91 33.86 82.10 3.69 32.12 83.32 coo 3.82 -4.94 15.61 3.37 -6.97 16.02 13.74 39.26 94.65 14.56 41.23 94.45 coo 8.61 -7.11 20.41 7.51 -6.92 17.85 10.27 43.52 89.91 10.78 42.74 92.53 ULMN 3 2c7v_c08 PTERIDINE REDUCTASE user 2 3 # 2 A 14 ARG B 25 ARG^? 18.98 O3 SO4 B 229 A 161 ASP B 120 ASP^? 8.68 O3 SO4 B 229 A 174 TYR B 93 TYR^? -6.26 O1 SO4 B 229s coo 14.43 -13.26 8.40 11.75 -14.25 9.60 7.91 26.52 118.07 7.56 27.20 121.14 coo 3.82 -4.94 15.61 3.37 -6.97 16.02 -4.32 17.92 112.37 -3.28 16.49 113.53 coo 8.61 -7.11 20.41 7.51 -6.92 17.85 3.42 16.10 108.71 2.04 17.62 106.85 ULMN 3 2c7v_c08 PTERIDINE REDUCTASE user 3 3 # 3 A 14 ARG B 181 ARG^? 17.91 O2 SO4 B 229 A 161 ASP B 52 ASP^? 8.63 O2 SO4 B 229 A 174 TYR B 76 TYR^? 10.65 O1 SO4 B 229 coo 14.43 -13.26 8.40 11.75 -14.25 9.60 -4.90 4.22 106.56 -7.80 3.62 107.30 coo 3.82 -4.94 15.61 3.37 -6.97 16.02 -5.20 17.74 96.96 -6.16 15.91 97.49 coo 8.61 -7.11 20.41 7.51 -6.92 17.85 -1.19 11.89 95.80 -2.29 13.70 97.62 ULMN 3 2c7v_c08 PTERIDINE REDUCTASE user 4 3 # 4 A 14 ARG B 181 ARG^? 17.91 O2 SO4 B 229 A 161 ASP B 120 ASP^? 8.68 O3 SO4 B 229 A 174 TYR B 93 TYR^? -6.26 O1 SO4 B 229s coo 14.43 -13.26 8.40 11.75 -14.25 9.60 -4.90 4.22 106.56 -7.80 3.62 107.30 coo 3.82 -4.94 15.61 3.37 -6.97 16.02 -4.32 17.92 112.37 -3.28 16.49 113.53 coo 8.61 -7.11 20.41 7.51 -6.92 17.85 3.42 16.10 108.71 2.04 17.62 106.85 2c7v_c08 source 2c7v PTERIDINE REDUCTASE : 4 hits 2c7v_c08 naa= 3 ULMN 3 2c7v_c09 PTERIDINE REDUCTASE user 1 3 # 1 B 14 ARG A 54 ARG^? -2.64 O2 SO4 A 229s B 161 ASP B 64 ASP^? 18.27 O3 SO4 A 231 B 174 TYR B 63 TYR^? 12.59 O4 SO4 B 229 coo -18.34 17.48 -4.91 -16.98 18.69 -2.39 5.30 36.31 96.12 6.03 38.74 97.87 coo -14.86 10.19 8.14 -14.82 12.31 8.42 12.23 21.46 92.76 12.58 23.03 91.40 coo -21.46 12.70 8.53 -19.04 12.30 7.24 6.08 23.92 93.84 4.01 25.72 94.40 ULMN 3 2c7v_c09 PTERIDINE REDUCTASE user 2 3 # 2 B 14 ARG A 193 ARG^? 10.95 O4 SO4 A 231 B 161 ASP A 52 ASP^? 8.69 O1 SO4 A 229 B 174 TYR A 76 TYR^? 9.48 O2 SO4 A 229 coo -18.34 17.48 -4.91 -16.98 18.69 -2.39 5.91 33.86 82.10 3.69 32.12 83.32 coo -14.86 10.19 8.14 -14.82 12.31 8.42 13.74 39.26 94.65 14.56 41.23 94.45 coo -21.46 12.70 8.53 -19.04 12.30 7.24 10.27 43.52 89.91 10.78 42.74 92.53 ULMN 3 2c7v_c09 PTERIDINE REDUCTASE user 3 3 # 3 B 14 ARG B 25 ARG^? 18.98 O3 SO4 B 229 B 161 ASP B 120 ASP^? 8.68 O3 SO4 B 229 B 174 TYR B 93 TYR^? -6.26 O1 SO4 B 229s coo -18.34 17.48 -4.91 -16.98 18.69 -2.39 7.91 26.52 118.07 7.56 27.20 121.14 coo -14.86 10.19 8.14 -14.82 12.31 8.42 -4.32 17.92 112.37 -3.28 16.49 113.53 coo -21.46 12.70 8.53 -19.04 12.30 7.24 3.42 16.10 108.71 2.04 17.62 106.85 ULMN 3 2c7v_c09 PTERIDINE REDUCTASE user 4 3 # 4 B 14 ARG B 181 ARG^? 17.91 O2 SO4 B 229 B 161 ASP B 52 ASP^? 8.63 O2 SO4 B 229 B 174 TYR B 76 TYR^? 10.65 O1 SO4 B 229 coo -18.34 17.48 -4.91 -16.98 18.69 -2.39 -4.90 4.22 106.56 -7.80 3.62 107.30 coo -14.86 10.19 8.14 -14.82 12.31 8.42 -5.20 17.74 96.96 -6.16 15.91 97.49 coo -21.46 12.70 8.53 -19.04 12.30 7.24 -1.19 11.89 95.80 -2.29 13.70 97.62 ULMN 3 2c7v_c09 PTERIDINE REDUCTASE user 5 3 # 5 B 14 ARG B 181 ARG^? 17.91 O2 SO4 B 229 B 161 ASP B 120 ASP^? 8.68 O3 SO4 B 229 B 174 TYR B 93 TYR^? -6.26 O1 SO4 B 229s coo -18.34 17.48 -4.91 -16.98 18.69 -2.39 -4.90 4.22 106.56 -7.80 3.62 107.30 coo -14.86 10.19 8.14 -14.82 12.31 8.42 -4.32 17.92 112.37 -3.28 16.49 113.53 coo -21.46 12.70 8.53 -19.04 12.30 7.24 3.42 16.10 108.71 2.04 17.62 106.85 2c7v_c09 source 2c7v PTERIDINE REDUCTASE : 5 hits 2c7v_c09 naa= 3 ULMN 3 2c7v_c10 PTERIDINE REDUCTASE user 1 3 # 1 C 14 ARG A 193 ARG^? 10.95 O4 SO4 A 231 C 161 ASP A 52 ASP^? 8.69 O1 SO4 A 229 C 174 TYR A 76 TYR^? 9.48 O2 SO4 A 229 coo 2.84 19.43 40.34 1.59 20.35 37.65 5.91 33.86 82.10 3.69 32.12 83.32 coo -0.62 11.10 28.05 -0.65 13.15 27.46 13.74 39.26 94.65 14.56 41.23 94.45 coo 5.94 13.28 27.17 3.53 13.05 28.58 10.27 43.52 89.91 10.78 42.74 92.53 ULMN 3 2c7v_c10 PTERIDINE REDUCTASE user 2 3 # 2 C 14 ARG B 25 ARG^? 18.98 O3 SO4 B 229 C 161 ASP B 120 ASP^? 8.68 O3 SO4 B 229 C 174 TYR B 93 TYR^? -6.26 O1 SO4 B 229s coo 2.84 19.43 40.34 1.59 20.35 37.65 7.91 26.52 118.07 7.56 27.20 121.14 coo -0.62 11.10 28.05 -0.65 13.15 27.46 -4.32 17.92 112.37 -3.28 16.49 113.53 coo 5.94 13.28 27.17 3.53 13.05 28.58 3.42 16.10 108.71 2.04 17.62 106.85 ULMN 3 2c7v_c10 PTERIDINE REDUCTASE user 3 3 # 3 C 14 ARG B 181 ARG^? 17.91 O2 SO4 B 229 C 161 ASP B 52 ASP^? 8.63 O2 SO4 B 229 C 174 TYR B 76 TYR^? 10.65 O1 SO4 B 229 coo 2.84 19.43 40.34 1.59 20.35 37.65 -4.90 4.22 106.56 -7.80 3.62 107.30 coo -0.62 11.10 28.05 -0.65 13.15 27.46 -5.20 17.74 96.96 -6.16 15.91 97.49 coo 5.94 13.28 27.17 3.53 13.05 28.58 -1.19 11.89 95.80 -2.29 13.70 97.62 ULMN 3 2c7v_c10 PTERIDINE REDUCTASE user 4 3 # 4 C 14 ARG B 181 ARG^? 17.91 O2 SO4 B 229 C 161 ASP B 120 ASP^? 8.68 O3 SO4 B 229 C 174 TYR B 93 TYR^? -6.26 O1 SO4 B 229s coo 2.84 19.43 40.34 1.59 20.35 37.65 -4.90 4.22 106.56 -7.80 3.62 107.30 coo -0.62 11.10 28.05 -0.65 13.15 27.46 -4.32 17.92 112.37 -3.28 16.49 113.53 coo 5.94 13.28 27.17 3.53 13.05 28.58 3.42 16.10 108.71 2.04 17.62 106.85 2c7v_c10 source 2c7v PTERIDINE REDUCTASE : 4 hits 2c7v_c10 naa= 3 ULMN 3 2c7v_c11 PTERIDINE REDUCTASE user 1 3 # 1 D 14 ARG A 193 ARG^? 10.95 O4 SO4 A 231 D 161 ASP A 52 ASP^? 8.69 O1 SO4 A 229 D 174 TYR A 76 TYR^? 9.48 O2 SO4 A 229 coo -30.56 -11.62 29.88 -27.98 -12.86 28.66 5.91 33.86 82.10 3.69 32.12 83.32 coo -19.83 -4.38 21.99 -19.35 -6.45 21.76 13.74 39.26 94.65 14.56 41.23 94.45 coo -24.51 -6.92 17.31 -23.48 -6.50 19.84 10.27 43.52 89.91 10.78 42.74 92.53 ULMN 3 2c7v_c11 PTERIDINE REDUCTASE user 2 3 # 2 D 14 ARG B 25 ARG^? 18.98 O3 SO4 B 229 D 161 ASP B 120 ASP^? 8.68 O3 SO4 B 229 D 174 TYR B 93 TYR^? -6.26 O1 SO4 B 229s coo -30.56 -11.62 29.88 -27.98 -12.86 28.66 7.91 26.52 118.07 7.56 27.20 121.14 coo -19.83 -4.38 21.99 -19.35 -6.45 21.76 -4.32 17.92 112.37 -3.28 16.49 113.53 coo -24.51 -6.92 17.31 -23.48 -6.50 19.84 3.42 16.10 108.71 2.04 17.62 106.85 ULMN 3 2c7v_c11 PTERIDINE REDUCTASE user 3 3 # 3 D 14 ARG B 147 ARG^? 25.99 O3 SO4 B 229 D 161 ASP B 115 ASP^? 13.85 O3 SO4 B 229 D 174 TYR B 141 TYR^? 18.84 O3 SO4 B 229 coo -30.56 -11.62 29.88 -27.98 -12.86 28.66 -21.61 19.82 125.35 -22.38 21.70 123.03 coo -19.83 -4.38 21.99 -19.35 -6.45 21.76 -12.10 21.41 116.25 -11.91 23.51 116.16 coo -24.51 -6.92 17.31 -23.48 -6.50 19.84 -9.09 19.42 122.99 -7.89 17.76 124.89 ULMN 3 2c7v_c11 PTERIDINE REDUCTASE user 4 3 # 4 D 14 ARG B 181 ARG^? 17.91 O2 SO4 B 229 D 161 ASP B 52 ASP^? 8.63 O2 SO4 B 229 D 174 TYR B 76 TYR^? 10.65 O1 SO4 B 229 coo -30.56 -11.62 29.88 -27.98 -12.86 28.66 -4.90 4.22 106.56 -7.80 3.62 107.30 coo -19.83 -4.38 21.99 -19.35 -6.45 21.76 -5.20 17.74 96.96 -6.16 15.91 97.49 coo -24.51 -6.92 17.31 -23.48 -6.50 19.84 -1.19 11.89 95.80 -2.29 13.70 97.62 ULMN 3 2c7v_c11 PTERIDINE REDUCTASE user 5 3 # 5 D 14 ARG B 181 ARG^? 17.91 O2 SO4 B 229 D 161 ASP B 120 ASP^? 8.68 O3 SO4 B 229 D 174 TYR B 93 TYR^? -6.26 O1 SO4 B 229s coo -30.56 -11.62 29.88 -27.98 -12.86 28.66 -4.90 4.22 106.56 -7.80 3.62 107.30 coo -19.83 -4.38 21.99 -19.35 -6.45 21.76 -4.32 17.92 112.37 -3.28 16.49 113.53 coo -24.51 -6.92 17.31 -23.48 -6.50 19.84 3.42 16.10 108.71 2.04 17.62 106.85 2c7v_c11 source 2c7v PTERIDINE REDUCTASE : 5 hits 2c7v_c11 naa= 3 ULMN 3 2cpu_c01 ALPHA-AMYLASE user 1 3 # 1 A 197 ASP A 52 ASP^? 8.69 O1 SO4 A 229 A 233 GLU A 56 GLU^? 10.40 O3 SO4 A 231 A 300 ASN A 80 ASN^? -4.91 O3 SO4 A 231s coo 12.51 17.07 49.46 12.44 16.89 47.35 13.74 39.26 94.65 14.56 41.23 94.45 coo 6.52 19.14 48.16 7.77 18.42 46.61 14.22 34.54 89.57 15.78 33.95 90.89 coo 9.30 22.40 41.76 10.10 20.96 40.36 11.97 41.28 84.18 13.37 41.01 85.80 ULMN 3 2cpu_c01 ALPHA-AMYLASE user 2 3 # 2 A 197 ASP B 52 ASP^? 8.63 O2 SO4 B 229 A 233 GLU B 56 GLU^? 14.37 O2 SO4 B 229 A 300 ASN A 14 ASN.? 15.31 O2 SO4 B 229 coo 12.51 17.07 49.46 12.44 16.89 47.35 -5.20 17.74 96.96 -6.16 15.91 97.49 coo 6.52 19.14 48.16 7.77 18.42 46.61 -2.86 18.57 90.31 -4.55 19.76 89.87 coo 9.30 22.40 41.76 10.10 20.96 40.36 -4.71 25.36 88.88 -5.40 23.36 89.18 2cpu_c01 source 2cpu ALPHA-AMYLASE : 2 hits 2cpu_c01 naa= 3 ULMN 3 2dbt_c00 CHITINASE C user 1 3 # 1 A 147 GLU A 165 GLU^? 22.62 O4 SO4 A 229 A 156 GLU A 163 GLU^? 27.84 O4 SO4 A 229 A 194 ASN A 159 ASN^? 10.67 O4 SO4 A 229 coo 74.14 15.91 8.55 72.08 15.36 8.63 6.08 50.50 121.81 4.00 50.92 121.97 coo 67.47 20.07 1.34 65.99 20.06 2.88 3.56 59.76 119.79 1.89 60.37 121.02 coo 67.44 25.26 13.91 67.54 23.65 15.28 5.71 49.12 108.69 6.11 47.57 110.12 ULMN 3 2dbt_c00 CHITINASE C user 2 3 # 2 A 147 GLU B 74 GLU^? 16.10 O1 SO4 B 229 A 156 GLU B 87 GLU^? 17.71 O1 SO4 B 229 A 194 ASN B 80 ASN^? 19.82 O1 SO4 B 229 coo 74.14 15.91 8.55 72.08 15.36 8.63 0.29 5.91 102.04 1.64 4.74 100.89 coo 67.47 20.07 1.34 65.99 20.06 2.88 10.05 8.18 103.44 9.48 6.19 103.45 coo 67.44 25.26 13.91 67.54 23.65 15.28 3.85 5.87 90.55 4.56 5.40 92.56 ULMN 3 2dbt_c00 CHITINASE C user 3 3 # 3 A 147 GLU B 87 GLU^? 17.71 O1 SO4 B 229 A 156 GLU B 74 GLU^? 16.10 O1 SO4 B 229 A 194 ASN B 80 ASN^? 19.82 O1 SO4 B 229 coo 74.14 15.91 8.55 72.08 15.36 8.63 10.05 8.18 103.44 9.48 6.19 103.45 coo 67.47 20.07 1.34 65.99 20.06 2.88 0.29 5.91 102.04 1.64 4.74 100.89 coo 67.44 25.26 13.91 67.54 23.65 15.28 3.85 5.87 90.55 4.56 5.40 92.56 2dbt_c00 source 2dbt CHITINASE C : 3 hits 2dbt_c00 naa= 3 ULMN 3 2dbt_c01 CHITINASE C user 1 3 # 1 B 147 GLU B 74 GLU^? 16.10 O1 SO4 B 229 B 156 GLU B 87 GLU^? 17.71 O1 SO4 B 229 B 194 ASN B 80 ASN^? 19.82 O1 SO4 B 229 coo 45.64 63.11 17.20 47.48 62.43 16.45 0.29 5.91 102.04 1.64 4.74 100.89 coo 54.43 67.89 19.82 55.62 67.90 18.07 10.05 8.18 103.44 9.48 6.19 103.45 coo 49.79 70.75 7.78 50.10 68.90 6.86 3.85 5.87 90.55 4.56 5.40 92.56 ULMN 3 2dbt_c01 CHITINASE C user 2 3 # 2 B 147 GLU B 87 GLU^? 17.71 O1 SO4 B 229 B 156 GLU B 74 GLU^? 16.10 O1 SO4 B 229 B 194 ASN B 80 ASN^? 19.82 O1 SO4 B 229 coo 45.64 63.11 17.20 47.48 62.43 16.45 10.05 8.18 103.44 9.48 6.19 103.45 coo 54.43 67.89 19.82 55.62 67.90 18.07 0.29 5.91 102.04 1.64 4.74 100.89 coo 49.79 70.75 7.78 50.10 68.90 6.86 3.85 5.87 90.55 4.56 5.40 92.56 2dbt_c01 source 2dbt CHITINASE C : 2 hits 2dbt_c01 naa= 3 ULMN 3 2dbt_c02 CHITINASE C user 1 3 # 1 C 147 GLU A 165 GLU^? 22.62 O4 SO4 A 229 C 156 GLU A 163 GLU^? 27.84 O4 SO4 A 229 C 194 ASN A 159 ASN^? 10.67 O4 SO4 A 229 coo 41.23 29.31 13.28 43.03 29.85 12.29 6.08 50.50 121.81 4.00 50.92 121.97 coo 44.75 23.09 5.51 46.77 22.91 6.12 3.56 59.76 119.79 1.89 60.37 121.02 coo 49.75 21.00 18.12 50.45 23.02 18.26 5.71 49.12 108.69 6.11 47.57 110.12 ULMN 3 2dbt_c02 CHITINASE C user 2 3 # 2 C 147 GLU B 74 GLU^? 16.10 O1 SO4 B 229 C 156 GLU B 87 GLU^? 17.71 O1 SO4 B 229 C 194 ASN B 80 ASN^? 19.82 O1 SO4 B 229 coo 41.23 29.31 13.28 43.03 29.85 12.29 0.29 5.91 102.04 1.64 4.74 100.89 coo 44.75 23.09 5.51 46.77 22.91 6.12 10.05 8.18 103.44 9.48 6.19 103.45 coo 49.75 21.00 18.12 50.45 23.02 18.26 3.85 5.87 90.55 4.56 5.40 92.56 ULMN 3 2dbt_c02 CHITINASE C user 3 3 # 3 C 147 GLU B 87 GLU^? 17.71 O1 SO4 B 229 C 156 GLU B 74 GLU^? 16.10 O1 SO4 B 229 C 194 ASN B 80 ASN^? 19.82 O1 SO4 B 229 coo 41.23 29.31 13.28 43.03 29.85 12.29 10.05 8.18 103.44 9.48 6.19 103.45 coo 44.75 23.09 5.51 46.77 22.91 6.12 0.29 5.91 102.04 1.64 4.74 100.89 coo 49.75 21.00 18.12 50.45 23.02 18.26 3.85 5.87 90.55 4.56 5.40 92.56 2dbt_c02 source 2dbt CHITINASE C : 3 hits 2dbt_c02 naa= 3 ULMN 3 2esd_c00 1.02.01.0009 user 1 3 # 1 A 154 ASN A 14 ASN.? 15.31 O2 SO4 B 229 A 250 ALA A 46 ALA^? 11.21 O3 SO4 A 229 A 284 CYH B 57 CYH^? 12.18 O4 SO4 B 229 coo -98.31 19.25 26.95 -99.27 21.10 26.57 -4.71 25.36 88.88 -5.40 23.36 89.18 coo -102.90 29.72 23.02 -103.69 28.50 23.43 1.33 30.18 96.93 2.21 29.93 95.73 coo -98.59 26.45 29.50 -99.24 25.73 26.84 1.42 21.45 91.40 -0.02 23.70 92.33 ULMN 3 2esd_c00 1.02.01.0009 user 2 3 # 2 A 154 ASN A 14 ASN.? 15.31 O2 SO4 B 229 A 250 ALA B 51 ALA^? -4.32 O1 SO4 B 229s A 284 CYH B 57 CYH^? 12.18 O4 SO4 B 229 coo -98.31 19.25 26.95 -99.27 21.10 26.57 -4.71 25.36 88.88 -5.40 23.36 89.18 coo -102.90 29.72 23.02 -103.69 28.50 23.43 -1.79 18.53 100.38 -1.87 17.27 101.22 coo -98.59 26.45 29.50 -99.24 25.73 26.84 1.42 21.45 91.40 -0.02 23.70 92.33 ULMN 3 2esd_c00 1.02.01.0009 user 3 3 # 3 A 154 ASN A 81 ASN^? -3.51 O1 SO4 A 231s A 250 ALA A 73 ALA^? 11.43 O2 SO4 A 229 A 284 CYH A 83 CYH^? 12.26 O4 SO4 A 231 coo -98.31 19.25 26.95 -99.27 21.10 26.57 9.88 40.99 79.16 11.43 41.68 77.91 coo -102.90 29.72 23.02 -103.69 28.50 23.43 6.77 46.41 90.13 5.23 46.35 90.03 coo -98.59 26.45 29.50 -99.24 25.73 26.84 3.04 43.26 82.65 0.35 43.27 81.65 ULMN 3 2esd_c00 1.02.01.0009 user 4 3 # 4 A 154 ASN B 80 ASN^? 19.82 O1 SO4 B 229 A 250 ALA B 73 ALA^? 11.25 O1 SO4 B 229 A 284 CYH B 83 CYH^? 19.47 O1 SO4 B 229 coo -98.31 19.25 26.95 -99.27 21.10 26.57 3.85 5.87 90.55 4.56 5.40 92.56 coo -102.90 29.72 23.02 -103.69 28.50 23.43 1.39 10.71 100.04 2.87 10.55 100.37 coo -98.59 26.45 29.50 -99.24 25.73 26.84 8.55 9.56 94.41 11.41 9.29 94.50 ULMN 3 2esd_c00 1.02.01.0009 user 5 3 # 5 A 154 ASN B 81 ASN^? 21.04 O1 SO4 B 229 A 250 ALA B 66 ALA^? 9.72 O1 SO4 B 229 A 284 CYH B 83 CYH^? 19.47 O1 SO4 B 229 coo -98.31 19.25 26.95 -99.27 21.10 26.57 3.82 11.45 87.98 3.05 10.81 86.07 coo -102.90 29.72 23.02 -103.69 28.50 23.43 6.50 19.00 98.08 5.18 18.69 97.37 coo -98.59 26.45 29.50 -99.24 25.73 26.84 8.55 9.56 94.41 11.41 9.29 94.50 ULMN 3 2esd_c00 1.02.01.0009 user 6 3 # 6 A 154 ASN B 81 ASN^? 21.04 O1 SO4 B 229 A 250 ALA B 73 ALA^? 11.25 O1 SO4 B 229 A 284 CYH B 83 CYH^? 19.47 O1 SO4 B 229 coo -98.31 19.25 26.95 -99.27 21.10 26.57 3.82 11.45 87.98 3.05 10.81 86.07 coo -102.90 29.72 23.02 -103.69 28.50 23.43 1.39 10.71 100.04 2.87 10.55 100.37 coo -98.59 26.45 29.50 -99.24 25.73 26.84 8.55 9.56 94.41 11.41 9.29 94.50 2esd_c00 source 2esd 1.02.01.0009 : 6 hits 2esd_c00 naa= 3 ULMN 3 2esd_c01 1.02.01.0009 user 1 3 # 1 B 154 ASN A 14 ASN.? 15.31 O2 SO4 B 229 B 250 ALA A 46 ALA^? 11.21 O3 SO4 A 229 B 284 CYH B 57 CYH^? 12.18 O4 SO4 B 229 coo -116.62 58.12 2.11 -116.17 56.24 3.01 -4.71 25.36 88.88 -5.40 23.36 89.18 coo -114.20 47.61 7.65 -114.88 48.80 8.33 1.33 30.18 96.93 2.21 29.93 95.73 coo -118.73 50.90 1.30 -116.61 51.76 2.87 1.42 21.45 91.40 -0.02 23.70 92.33 ULMN 3 2esd_c01 1.02.01.0009 user 2 3 # 2 B 154 ASN A 14 ASN.? 15.31 O2 SO4 B 229 B 250 ALA B 51 ALA^? -4.32 O1 SO4 B 229s B 284 CYH B 57 CYH^? 12.18 O4 SO4 B 229 coo -116.62 58.12 2.11 -116.17 56.24 3.01 -4.71 25.36 88.88 -5.40 23.36 89.18 coo -114.20 47.61 7.65 -114.88 48.80 8.33 -1.79 18.53 100.38 -1.87 17.27 101.22 coo -118.73 50.90 1.30 -116.61 51.76 2.87 1.42 21.45 91.40 -0.02 23.70 92.33 ULMN 3 2esd_c01 1.02.01.0009 user 3 3 # 3 B 154 ASN A 81 ASN^? -3.51 O1 SO4 A 231s B 250 ALA A 73 ALA^? 11.43 O2 SO4 A 229 B 284 CYH A 83 CYH^? 12.26 O4 SO4 A 231 coo -116.62 58.12 2.11 -116.17 56.24 3.01 9.88 40.99 79.16 11.43 41.68 77.91 coo -114.20 47.61 7.65 -114.88 48.80 8.33 6.77 46.41 90.13 5.23 46.35 90.03 coo -118.73 50.90 1.30 -116.61 51.76 2.87 3.04 43.26 82.65 0.35 43.27 81.65 ULMN 3 2esd_c01 1.02.01.0009 user 4 3 # 4 B 154 ASN B 14 ASN^? 14.30 O3 SO4 A 231 B 250 ALA B 46 ALA^? 11.39 O3 SO4 A 229 B 284 CYH A 57 CYH^? 11.87 O3 SO4 A 229 coo -116.62 58.12 2.11 -116.17 56.24 3.01 16.26 28.09 91.11 15.87 29.49 92.68 coo -114.20 47.61 7.65 -114.88 48.80 8.33 6.12 28.16 98.75 5.87 27.81 97.34 coo -118.73 50.90 1.30 -116.61 51.76 2.87 9.42 32.30 89.74 9.90 31.16 92.16 ULMN 3 2esd_c01 1.02.01.0009 user 5 3 # 5 B 154 ASN B 80 ASN^? 19.82 O1 SO4 B 229 B 250 ALA B 73 ALA^? 11.25 O1 SO4 B 229 B 284 CYH B 83 CYH^? 19.47 O1 SO4 B 229 coo -116.62 58.12 2.11 -116.17 56.24 3.01 3.85 5.87 90.55 4.56 5.40 92.56 coo -114.20 47.61 7.65 -114.88 48.80 8.33 1.39 10.71 100.04 2.87 10.55 100.37 coo -118.73 50.90 1.30 -116.61 51.76 2.87 8.55 9.56 94.41 11.41 9.29 94.50 ULMN 3 2esd_c01 1.02.01.0009 user 6 3 # 6 B 154 ASN B 81 ASN^? 21.04 O1 SO4 B 229 B 250 ALA B 66 ALA^? 9.72 O1 SO4 B 229 B 284 CYH B 83 CYH^? 19.47 O1 SO4 B 229 coo -116.62 58.12 2.11 -116.17 56.24 3.01 3.82 11.45 87.98 3.05 10.81 86.07 coo -114.20 47.61 7.65 -114.88 48.80 8.33 6.50 19.00 98.08 5.18 18.69 97.37 coo -118.73 50.90 1.30 -116.61 51.76 2.87 8.55 9.56 94.41 11.41 9.29 94.50 ULMN 3 2esd_c01 1.02.01.0009 user 7 3 # 7 B 154 ASN B 81 ASN^? 21.04 O1 SO4 B 229 B 250 ALA B 73 ALA^? 11.25 O1 SO4 B 229 B 284 CYH B 83 CYH^? 19.47 O1 SO4 B 229 coo -116.62 58.12 2.11 -116.17 56.24 3.01 3.82 11.45 87.98 3.05 10.81 86.07 coo -114.20 47.61 7.65 -114.88 48.80 8.33 1.39 10.71 100.04 2.87 10.55 100.37 coo -118.73 50.90 1.30 -116.61 51.76 2.87 8.55 9.56 94.41 11.41 9.29 94.50 2esd_c01 source 2esd 1.02.01.0009 : 7 hits 2esd_c01 naa= 3 ULMN 3 2esd_c02 1.02.01.0009 user 1 3 # 1 C 154 ASN A 14 ASN.? 15.31 O2 SO4 B 229 C 250 ALA A 46 ALA^? 11.21 O3 SO4 A 229 C 284 CYH B 57 CYH^? 12.18 O4 SO4 B 229 coo -155.36 18.42 28.93 -154.49 20.30 29.39 -4.71 25.36 88.88 -5.40 23.36 89.18 coo -150.95 29.02 32.87 -150.10 27.86 32.40 1.33 30.18 96.93 2.21 29.93 95.73 coo -155.22 25.64 26.33 -154.78 25.20 29.09 1.42 21.45 91.40 -0.02 23.70 92.33 ULMN 3 2esd_c02 1.02.01.0009 user 2 3 # 2 C 154 ASN A 14 ASN.? 15.31 O2 SO4 B 229 C 250 ALA B 51 ALA^? -4.32 O1 SO4 B 229s C 284 CYH B 57 CYH^? 12.18 O4 SO4 B 229 coo -155.36 18.42 28.93 -154.49 20.30 29.39 -4.71 25.36 88.88 -5.40 23.36 89.18 coo -150.95 29.02 32.87 -150.10 27.86 32.40 -1.79 18.53 100.38 -1.87 17.27 101.22 coo -155.22 25.64 26.33 -154.78 25.20 29.09 1.42 21.45 91.40 -0.02 23.70 92.33 ULMN 3 2esd_c02 1.02.01.0009 user 3 3 # 3 C 154 ASN A 81 ASN^? -3.51 O1 SO4 A 231s C 250 ALA A 73 ALA^? 11.43 O2 SO4 A 229 C 284 CYH A 83 CYH^? 12.26 O4 SO4 A 231 coo -155.36 18.42 28.93 -154.49 20.30 29.39 9.88 40.99 79.16 11.43 41.68 77.91 coo -150.95 29.02 32.87 -150.10 27.86 32.40 6.77 46.41 90.13 5.23 46.35 90.03 coo -155.22 25.64 26.33 -154.78 25.20 29.09 3.04 43.26 82.65 0.35 43.27 81.65 ULMN 3 2esd_c02 1.02.01.0009 user 4 3 # 4 C 154 ASN B 14 ASN^? 14.30 O3 SO4 A 231 C 250 ALA B 46 ALA^? 11.39 O3 SO4 A 229 C 284 CYH A 57 CYH^? 11.87 O3 SO4 A 229 coo -155.36 18.42 28.93 -154.49 20.30 29.39 16.26 28.09 91.11 15.87 29.49 92.68 coo -150.95 29.02 32.87 -150.10 27.86 32.40 6.12 28.16 98.75 5.87 27.81 97.34 coo -155.22 25.64 26.33 -154.78 25.20 29.09 9.42 32.30 89.74 9.90 31.16 92.16 ULMN 3 2esd_c02 1.02.01.0009 user 5 3 # 5 C 154 ASN B 80 ASN^? 19.82 O1 SO4 B 229 C 250 ALA B 73 ALA^? 11.25 O1 SO4 B 229 C 284 CYH B 83 CYH^? 19.47 O1 SO4 B 229 coo -155.36 18.42 28.93 -154.49 20.30 29.39 3.85 5.87 90.55 4.56 5.40 92.56 coo -150.95 29.02 32.87 -150.10 27.86 32.40 1.39 10.71 100.04 2.87 10.55 100.37 coo -155.22 25.64 26.33 -154.78 25.20 29.09 8.55 9.56 94.41 11.41 9.29 94.50 ULMN 3 2esd_c02 1.02.01.0009 user 6 3 # 6 C 154 ASN B 81 ASN^? 21.04 O1 SO4 B 229 C 250 ALA B 66 ALA^? 9.72 O1 SO4 B 229 C 284 CYH B 83 CYH^? 19.47 O1 SO4 B 229 coo -155.36 18.42 28.93 -154.49 20.30 29.39 3.82 11.45 87.98 3.05 10.81 86.07 coo -150.95 29.02 32.87 -150.10 27.86 32.40 6.50 19.00 98.08 5.18 18.69 97.37 coo -155.22 25.64 26.33 -154.78 25.20 29.09 8.55 9.56 94.41 11.41 9.29 94.50 ULMN 3 2esd_c02 1.02.01.0009 user 7 3 # 7 C 154 ASN B 81 ASN^? 21.04 O1 SO4 B 229 C 250 ALA B 73 ALA^? 11.25 O1 SO4 B 229 C 284 CYH B 83 CYH^? 19.47 O1 SO4 B 229 coo -155.36 18.42 28.93 -154.49 20.30 29.39 3.82 11.45 87.98 3.05 10.81 86.07 coo -150.95 29.02 32.87 -150.10 27.86 32.40 1.39 10.71 100.04 2.87 10.55 100.37 coo -155.22 25.64 26.33 -154.78 25.20 29.09 8.55 9.56 94.41 11.41 9.29 94.50 2esd_c02 source 2esd 1.02.01.0009 : 7 hits 2esd_c02 naa= 3 ULMN 3 2esd_c03 1.02.01.0009 user 1 3 # 1 D 154 ASN A 14 ASN.? 15.31 O2 SO4 B 229 D 250 ALA A 46 ALA^? 11.21 O3 SO4 A 229 D 284 CYH B 57 CYH^? 12.18 O4 SO4 B 229 coo -138.05 57.23 54.59 -137.96 55.47 53.43 -4.71 25.36 88.88 -5.40 23.36 89.18 coo -139.97 46.71 48.80 -139.25 47.90 48.19 1.33 30.18 96.93 2.21 29.93 95.73 coo -135.22 50.13 55.22 -137.25 50.94 53.65 1.42 21.45 91.40 -0.02 23.70 92.33 ULMN 3 2esd_c03 1.02.01.0009 user 2 3 # 2 D 154 ASN A 14 ASN.? 15.31 O2 SO4 B 229 D 250 ALA B 51 ALA^? -4.32 O1 SO4 B 229s D 284 CYH B 57 CYH^? 12.18 O4 SO4 B 229 coo -138.05 57.23 54.59 -137.96 55.47 53.43 -4.71 25.36 88.88 -5.40 23.36 89.18 coo -139.97 46.71 48.80 -139.25 47.90 48.19 -1.79 18.53 100.38 -1.87 17.27 101.22 coo -135.22 50.13 55.22 -137.25 50.94 53.65 1.42 21.45 91.40 -0.02 23.70 92.33 ULMN 3 2esd_c03 1.02.01.0009 user 3 3 # 3 D 154 ASN A 80 ASN^? -4.91 O3 SO4 A 231s D 250 ALA A 66 ALA^? 9.50 O2 SO4 A 229 D 284 CYH A 83 CYH^? 12.26 O4 SO4 A 231 coo -138.05 57.23 54.59 -137.96 55.47 53.43 11.97 41.28 84.18 13.37 41.01 85.80 coo -139.97 46.71 48.80 -139.25 47.90 48.19 2.50 37.44 91.38 3.99 37.46 91.13 coo -135.22 50.13 55.22 -137.25 50.94 53.65 3.04 43.26 82.65 0.35 43.27 81.65 ULMN 3 2esd_c03 1.02.01.0009 user 4 3 # 4 D 154 ASN A 81 ASN^? -3.51 O1 SO4 A 231s D 250 ALA A 73 ALA^? 11.43 O2 SO4 A 229 D 284 CYH A 83 CYH^? 12.26 O4 SO4 A 231 coo -138.05 57.23 54.59 -137.96 55.47 53.43 9.88 40.99 79.16 11.43 41.68 77.91 coo -139.97 46.71 48.80 -139.25 47.90 48.19 6.77 46.41 90.13 5.23 46.35 90.03 coo -135.22 50.13 55.22 -137.25 50.94 53.65 3.04 43.26 82.65 0.35 43.27 81.65 ULMN 3 2esd_c03 1.02.01.0009 user 5 3 # 5 D 154 ASN B 14 ASN^? 14.30 O3 SO4 A 231 D 250 ALA B 46 ALA^? 11.39 O3 SO4 A 229 D 284 CYH A 57 CYH^? 11.87 O3 SO4 A 229 coo -138.05 57.23 54.59 -137.96 55.47 53.43 16.26 28.09 91.11 15.87 29.49 92.68 coo -139.97 46.71 48.80 -139.25 47.90 48.19 6.12 28.16 98.75 5.87 27.81 97.34 coo -135.22 50.13 55.22 -137.25 50.94 53.65 9.42 32.30 89.74 9.90 31.16 92.16 ULMN 3 2esd_c03 1.02.01.0009 user 6 3 # 6 D 154 ASN B 80 ASN^? 19.82 O1 SO4 B 229 D 250 ALA B 73 ALA^? 11.25 O1 SO4 B 229 D 284 CYH B 83 CYH^? 19.47 O1 SO4 B 229 coo -138.05 57.23 54.59 -137.96 55.47 53.43 3.85 5.87 90.55 4.56 5.40 92.56 coo -139.97 46.71 48.80 -139.25 47.90 48.19 1.39 10.71 100.04 2.87 10.55 100.37 coo -135.22 50.13 55.22 -137.25 50.94 53.65 8.55 9.56 94.41 11.41 9.29 94.50 ULMN 3 2esd_c03 1.02.01.0009 user 7 3 # 7 D 154 ASN B 81 ASN^? 21.04 O1 SO4 B 229 D 250 ALA B 66 ALA^? 9.72 O1 SO4 B 229 D 284 CYH B 83 CYH^? 19.47 O1 SO4 B 229 coo -138.05 57.23 54.59 -137.96 55.47 53.43 3.82 11.45 87.98 3.05 10.81 86.07 coo -139.97 46.71 48.80 -139.25 47.90 48.19 6.50 19.00 98.08 5.18 18.69 97.37 coo -135.22 50.13 55.22 -137.25 50.94 53.65 8.55 9.56 94.41 11.41 9.29 94.50 ULMN 3 2esd_c03 1.02.01.0009 user 8 3 # 8 D 154 ASN B 81 ASN^? 21.04 O1 SO4 B 229 D 250 ALA B 73 ALA^? 11.25 O1 SO4 B 229 D 284 CYH B 83 CYH^? 19.47 O1 SO4 B 229 coo -138.05 57.23 54.59 -137.96 55.47 53.43 3.82 11.45 87.98 3.05 10.81 86.07 coo -139.97 46.71 48.80 -139.25 47.90 48.19 1.39 10.71 100.04 2.87 10.55 100.37 coo -135.22 50.13 55.22 -137.25 50.94 53.65 8.55 9.56 94.41 11.41 9.29 94.50 2esd_c03 source 2esd 1.02.01.0009 : 8 hits 2esd_c03 naa= 3 ULMN 3 2gsa_c02 GLUTAMATE SEMIALDEHYDE AMINOTRANSFERuser 1 3 # 1 A 150 TYR A 76 TYR^? 9.48 O2 SO4 A 229 A 245 ASP A 52 ASP^? 8.69 O1 SO4 A 229 A 273 LYS A 122 LYS^? 10.06 O1 SO4 A 229 coo 9.74 16.83 -36.21 11.10 17.13 -33.77 10.27 43.52 89.91 10.78 42.74 92.53 coo 1.75 12.92 -36.29 2.66 14.31 -34.97 13.74 39.26 94.65 14.56 41.23 94.45 coo -0.09 22.51 -29.56 4.47 22.51 -33.59 16.00 48.82 99.35 17.27 43.58 96.56 2gsa_c02 source 2gsa GLUTAMATE SEMIALDEHYDE AMINOTRANSFERASE : 1 hits 2gsa_c02 naa= 3 ULMN 3 2gsa_c04 GLUTAMATE SEMIALDEHYDE AMINOTRANSFERuser 1 3 # 1 A 157 PHE A 129 PHE^? 20.39 O1 SO4 A 229 A 245 ASP A 154 ASP^? 25.59 O1 SO4 A 229 A 273 LYS A 103 LYS^? 33.05 O4 SO4 A 229 coo 9.49 9.24 -34.27 7.12 7.86 -33.75 19.36 57.64 103.06 18.23 57.40 105.63 coo 1.75 12.92 -36.29 2.66 14.31 -34.97 22.41 56.72 112.09 24.50 56.74 112.55 coo -0.09 22.51 -29.56 4.47 22.51 -33.59 15.68 61.42 119.02 17.27 63.89 123.18 ULMN 3 2gsa_c04 GLUTAMATE SEMIALDEHYDE AMINOTRANSFERuser 2 3 # 2 A 157 PHE B 129 PHE^? 20.67 O3 SO4 B 229 A 245 ASP B 154 ASP^? 28.34 O3 SO4 B 229 A 273 LYS B 103 LYS^? 36.18 O3 SO4 B 229 coo 9.49 9.24 -34.27 7.12 7.86 -33.75 -14.90 7.32 114.49 -14.69 7.85 117.24 coo 1.75 12.92 -36.29 2.66 14.31 -34.97 -19.38 9.09 123.27 -21.52 8.99 123.42 coo -0.09 22.51 -29.56 4.47 22.51 -33.59 -13.76 5.50 131.39 -11.05 3.94 136.91 2gsa_c04 source 2gsa GLUTAMATE SEMIALDEHYDE AMINOTRANSFERASE : 2 hits 2gsa_c04 naa= 3 ULMN 3 2isd_c00 PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPuser 1 3 # 1 A 311 HIS B 91 HIS^? 17.45 O3 SO4 B 229 A 341 GLU B 187 GLU^? 15.82 O1 SO4 B 229 A 356 HIS B 97 HIS^? 12.49 O3 SO4 B 229 coo 121.00 36.37 19.26 121.57 38.37 19.56 5.92 11.10 116.67 5.40 9.21 117.42 coo 125.72 32.70 19.75 124.44 34.16 18.84 5.79 8.67 109.77 5.71 6.74 108.88 coo 124.34 41.73 25.55 123.79 42.60 23.72 -3.31 12.76 116.75 -2.66 14.35 115.55 2isd_c00 source 2isd PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPASE C, ISO: 1 hits 2isd_c00 naa= 3 ULMN 3 2isd_c01 PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPuser 1 3 # 1 B 311 HIS B 91 HIS^? 17.45 O3 SO4 B 229 B 341 GLU B 187 GLU^? 15.82 O1 SO4 B 229 B 356 HIS B 97 HIS^? 12.49 O3 SO4 B 229 coo 77.20 37.63 -25.62 77.60 39.62 -25.06 5.92 11.10 116.67 5.40 9.21 117.42 coo 79.41 33.66 -21.62 79.55 35.10 -23.14 5.79 8.67 109.77 5.71 6.74 108.88 coo 75.11 43.37 -19.22 76.23 44.10 -20.84 -3.31 12.76 116.75 -2.66 14.35 115.55 2isd_c01 source 2isd PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPASE C, ISO: 1 hits 2isd_c01 naa= 3 ULMN 3 2jxr_c04 LIGAND CP-081282 user 1 3 # 1 A 32 ASP A 2 ASP~? 14.67 O2 SO4 A 230 A 35 SER A -2 SER~? 12.73 O2 SO4 A 230 A 215 ASP A 39 ASP^? 5.87 O2 SO4 A 230 coo -14.00 61.45 43.99 -14.19 63.14 42.84 -20.15 34.72 83.71 -22.03 35.03 82.80 coo -13.21 66.21 45.84 -15.49 65.90 45.84 -23.89 33.29 87.49 -25.22 35.21 86.74 coo -10.72 64.19 37.77 -12.20 64.43 39.15 -16.67 33.15 92.05 -17.20 32.80 93.99 ULMN 3 2jxr_c04 LIGAND CP-081282 user 2 3 # 2 A 32 ASP A 115 ASP^? 8.58 O1 SO4 A 229 A 35 SER A 140 SER^? 13.33 O1 SO4 A 229 A 215 ASP A 138 ASP^? 13.32 O1 SO4 A 229 coo -14.00 61.45 43.99 -14.19 63.14 42.84 15.77 43.56 105.82 15.72 41.47 106.14 coo -13.21 66.21 45.84 -15.49 65.90 45.84 16.67 42.99 109.88 16.46 41.74 111.93 coo -10.72 64.19 37.77 -12.20 64.43 39.15 23.15 43.17 105.53 21.70 41.96 104.55 ULMN 3 2jxr_c04 LIGAND CP-081282 user 3 3 # 3 A 32 ASP B 115 ASP^? 13.85 O3 SO4 B 229 A 35 SER B 140 SER^? 18.74 O3 SO4 B 229 A 215 ASP B 138 ASP^? 17.24 O3 SO4 B 229 coo -14.00 61.45 43.99 -14.19 63.14 42.84 -12.10 21.41 116.25 -11.91 23.51 116.16 coo -13.21 66.21 45.84 -15.49 65.90 45.84 -13.55 22.77 120.12 -12.47 24.15 121.85 coo -10.72 64.19 37.77 -12.20 64.43 39.15 -19.34 21.74 114.74 -17.84 23.07 113.94 2jxr_c04 source 2jxr LIGAND CP-081282 : 3 hits 2jxr_c04 naa= 3 ULMN 3 2lpr_c02 ALPHA-LYTIC PROTEASE user 1 3 # 1 A 57 HIS B 210 HIS^? 25.92 O1 SO4 B 229 A 102 ASP B 208 ASP^? 25.58 O1 SO4 B 229 A 193 GLY B 89 GLY^? 16.96 O1 SO4 B 229 coo 14.96 29.22 19.55 15.62 29.93 17.67 21.10 10.94 112.67 20.59 9.01 113.37 coo 19.64 30.69 22.61 18.18 29.94 21.25 22.68 13.69 106.98 23.40 15.21 108.39 coo 14.54 28.99 9.76 15.06 29.59 10.02 10.15 9.21 110.31 9.83 9.95 110.22 2lpr_c02 source 2lpr ALPHA-LYTIC PROTEASE : 1 hits 2lpr_c02 naa= 3 ULMN 3 2phk_c03 MC-PEPTIDE user 1 3 # 1 A 149 ASP A 2 ASP~? 14.67 O2 SO4 A 230 A 151 LYS A 4 LYS~? 17.43 O2 SO4 A 230 A 154 ASN A 3 ASN~? 10.01 O2 SO4 A 230 coo 41.42 17.90 44.98 43.39 18.36 45.61 -20.15 34.72 83.71 -22.03 35.03 82.80 coo 45.75 16.58 39.61 47.43 18.26 45.54 -16.16 29.06 84.50 -18.43 23.53 86.96 coo 44.77 13.10 43.25 45.01 14.21 45.03 -15.66 33.12 86.39 -15.82 35.16 86.97 ULMN 3 2phk_c03 MC-PEPTIDE user 2 3 # 2 A 149 ASP A 39 ASP^? 5.87 O2 SO4 A 230 A 151 LYS A 4 LYS~? 17.43 O2 SO4 A 230 A 154 ASN A 3 ASN~? 10.01 O2 SO4 A 230 coo 41.42 17.90 44.98 43.39 18.36 45.61 -16.67 33.15 92.05 -17.20 32.80 93.99 coo 45.75 16.58 39.61 47.43 18.26 45.54 -16.16 29.06 84.50 -18.43 23.53 86.96 coo 44.77 13.10 43.25 45.01 14.21 45.03 -15.66 33.12 86.39 -15.82 35.16 86.97 ULMN 3 2phk_c03 MC-PEPTIDE user 3 3 # 3 A 149 ASP B 154 ASP^? 28.34 O3 SO4 B 229 A 151 LYS B 110 LYS^? 32.96 O3 SO4 B 229 A 154 ASN B 108 ASN^? 33.72 O3 SO4 B 229 coo 41.42 17.90 44.98 43.39 18.36 45.61 -19.38 9.09 123.27 -21.52 8.99 123.42 coo 45.75 16.58 39.61 47.43 18.26 45.54 -21.89 7.24 119.36 -25.62 3.73 122.06 coo 44.77 13.10 43.25 45.01 14.21 45.03 -21.52 1.86 123.78 -22.21 -0.15 123.44 2phk_c03 source 2phk MC-PEPTIDE : 3 hits 2phk_c03 naa= 3 ULMN 3 2pth_c00 PEPTIDYL-TRNA HYDROLASE user 1 3 # 1 10 ASN A 159 ASN^? 10.67 O4 SO4 A 229 20 HIS A 97 HIS^? 10.66 O4 SO4 A 229 93 ASP A 120 ASP^? 7.17 O2 SO4 A 229 coo 45.21 45.27 48.24 46.79 44.92 46.88 5.71 49.12 108.69 6.11 47.57 110.12 coo 47.05 39.55 45.24 48.99 39.30 44.46 7.24 52.04 104.47 6.71 50.18 103.67 coo 46.96 34.22 47.29 47.91 35.95 46.52 9.29 47.78 99.49 7.80 47.36 98.01 2pth_c00 source 2pth PEPTIDYL-TRNA HYDROLASE : 1 hits 2pth_c00 naa= 3 ULMN 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 1 3 # 1 141 ASP A 52 ASP^? 8.69 O1 SO4 A 229 166 GLY A 113 GLY^? 16.24 O1 SO4 A 229 169 GLU A 135 GLU^? 26.04 O1 SO4 A 229 coo 8.28 6.87 1.62 10.08 5.77 1.34 13.74 39.26 94.65 14.56 41.23 94.45 coo -8.58 13.22 3.21 -8.90 13.15 4.05 19.92 49.38 108.48 19.63 49.93 107.90 coo -16.67 7.89 2.78 -17.65 6.56 1.49 28.90 53.95 105.73 29.85 54.07 107.68 ULMN 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 2 3 # 2 141 ASP A 195 ASP^? 8.92 O2 SO4 A 231 166 GLY B 61 GLY^? 18.77 O1 SO4 B 229 169 GLU B 56 GLU^? 14.37 O2 SO4 B 229 coo 8.28 6.87 1.62 10.08 5.77 1.34 4.21 36.83 75.89 5.47 37.96 74.68 coo -8.58 13.22 3.21 -8.90 13.15 4.05 5.86 21.10 87.10 5.33 21.40 87.62 coo -16.67 7.89 2.78 -17.65 6.56 1.49 -2.86 18.57 90.31 -4.55 19.76 89.87 ULMN 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 3 3 # 3 141 ASP B 120 ASP^? 8.68 O3 SO4 B 229 166 GLY B 29 GLY^? 15.41 O3 SO4 B 229 169 GLU B 225 GLU^? 19.49 O1 SO4 A 229 coo 8.28 6.87 1.62 10.08 5.77 1.34 -4.32 17.92 112.37 -3.28 16.49 113.53 coo -8.58 13.22 3.21 -8.90 13.15 4.05 11.30 23.21 112.72 10.85 23.02 112.05 coo -16.67 7.89 2.78 -17.65 6.56 1.49 14.37 32.38 117.86 15.62 34.05 118.38 ULMN 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 4 3 # 4 141 ASP B 195 ASP^? 23.57 O1 SO4 B 229 166 GLY A 61 GLY^? 10.88 O4 SO4 A 231 169 GLU A 56 GLU^? 10.40 O3 SO4 A 231 coo 8.28 6.87 1.62 10.08 5.77 1.34 10.49 11.54 85.09 9.59 13.42 84.64 coo -8.58 13.22 3.21 -8.90 13.15 4.05 6.83 29.99 84.43 7.11 29.96 85.20 coo -16.67 7.89 2.78 -17.65 6.56 1.49 14.22 34.54 89.57 15.78 33.95 90.89 2tdt_c00 source 2tdt TETRAHYDRODIPICOLINATE N-SUCCINYLTRANSFERASE : 4 hits 2tdt_c00 naa= 3 ULMN 3 2tmd_c02 TRIMETHYLAMINE DEHYDROGENASE user 1 3 # 1 A 169 TYR A 45 TYR^? 12.83 O3 SO4 A 229 A 172 HIS A 47 HIS^? 9.70 O3 SO4 A 229 A 174 TYR A 228 TYR^? 12.29 O4 SO4 B 229 coo 26.78 20.44 0.03 28.51 18.26 0.09 -3.49 33.26 97.33 -5.14 35.38 96.58 coo 29.39 14.39 -1.75 31.15 15.06 -2.66 0.48 32.34 101.22 -1.58 32.73 101.11 coo 24.73 15.69 1.93 26.72 14.32 3.31 -6.50 33.95 102.32 -5.45 34.14 104.92 ULMN 3 2tmd_c02 TRIMETHYLAMINE DEHYDROGENASE user 2 3 # 2 A 169 TYR A 228 TYR^? 12.29 O4 SO4 B 229 A 172 HIS A 47 HIS^? 9.70 O3 SO4 A 229 A 174 TYR A 45 TYR^? 12.83 O3 SO4 A 229 coo 26.78 20.44 0.03 28.51 18.26 0.09 -6.50 33.95 102.32 -5.45 34.14 104.92 coo 29.39 14.39 -1.75 31.15 15.06 -2.66 0.48 32.34 101.22 -1.58 32.73 101.11 coo 24.73 15.69 1.93 26.72 14.32 3.31 -3.49 33.26 97.33 -5.14 35.38 96.58 ULMN 3 2tmd_c02 TRIMETHYLAMINE DEHYDROGENASE user 3 3 # 3 A 169 TYR B 45 TYR^? 13.10 O4 SO4 B 229 A 172 HIS B 47 HIS^? 9.69 O4 SO4 B 229 A 174 TYR B 228 TYR^? 12.23 O3 SO4 A 229 coo 26.78 20.44 0.03 28.51 18.26 0.09 10.04 26.44 102.60 11.44 24.36 103.85 coo 29.39 14.39 -1.75 31.15 15.06 -2.66 4.75 28.44 103.45 6.59 28.31 104.44 coo 24.73 15.69 1.93 26.72 14.32 3.31 10.57 28.77 107.84 8.55 29.75 109.51 ULMN 3 2tmd_c02 TRIMETHYLAMINE DEHYDROGENASE user 4 3 # 4 A 169 TYR B 228 TYR^? 12.23 O3 SO4 A 229 A 172 HIS B 47 HIS^? 9.69 O4 SO4 B 229 A 174 TYR B 45 TYR^? 13.10 O4 SO4 B 229 coo 26.78 20.44 0.03 28.51 18.26 0.09 10.57 28.77 107.84 8.55 29.75 109.51 coo 29.39 14.39 -1.75 31.15 15.06 -2.66 4.75 28.44 103.45 6.59 28.31 104.44 coo 24.73 15.69 1.93 26.72 14.32 3.31 10.04 26.44 102.60 11.44 24.36 103.85 2tmd_c02 source 2tmd TRIMETHYLAMINE DEHYDROGENASE : 4 hits 2tmd_c02 naa= 3 ULMN 3 2tmd_c03 TRIMETHYLAMINE DEHYDROGENASE user 1 3 # 1 B 169 TYR A 45 TYR^? 12.83 O3 SO4 A 229 B 172 HIS A 47 HIS^? 9.70 O3 SO4 A 229 B 174 TYR A 228 TYR^? 12.29 O4 SO4 B 229 coo 44.86 1.98 33.27 42.75 1.12 31.67 -3.49 33.26 97.33 -5.14 35.38 96.58 coo 40.83 -2.48 29.90 39.16 -2.39 31.17 0.48 32.34 101.22 -1.58 32.73 101.11 coo 45.95 0.11 28.25 43.87 0.82 26.55 -6.50 33.95 102.32 -5.45 34.14 104.92 ULMN 3 2tmd_c03 TRIMETHYLAMINE DEHYDROGENASE user 2 3 # 2 B 169 TYR A 228 TYR^? 12.29 O4 SO4 B 229 B 172 HIS A 47 HIS^? 9.70 O3 SO4 A 229 B 174 TYR A 45 TYR^? 12.83 O3 SO4 A 229 coo 44.86 1.98 33.27 42.75 1.12 31.67 -6.50 33.95 102.32 -5.45 34.14 104.92 coo 40.83 -2.48 29.90 39.16 -2.39 31.17 0.48 32.34 101.22 -1.58 32.73 101.11 coo 45.95 0.11 28.25 43.87 0.82 26.55 -3.49 33.26 97.33 -5.14 35.38 96.58 ULMN 3 2tmd_c03 TRIMETHYLAMINE DEHYDROGENASE user 3 3 # 3 B 169 TYR B 45 TYR^? 13.10 O4 SO4 B 229 B 172 HIS B 47 HIS^? 9.69 O4 SO4 B 229 B 174 TYR B 228 TYR^? 12.23 O3 SO4 A 229 coo 44.86 1.98 33.27 42.75 1.12 31.67 10.04 26.44 102.60 11.44 24.36 103.85 coo 40.83 -2.48 29.90 39.16 -2.39 31.17 4.75 28.44 103.45 6.59 28.31 104.44 coo 45.95 0.11 28.25 43.87 0.82 26.55 10.57 28.77 107.84 8.55 29.75 109.51 ULMN 3 2tmd_c03 TRIMETHYLAMINE DEHYDROGENASE user 4 3 # 4 B 169 TYR B 228 TYR^? 12.23 O3 SO4 A 229 B 172 HIS B 47 HIS^? 9.69 O4 SO4 B 229 B 174 TYR B 45 TYR^? 13.10 O4 SO4 B 229 coo 44.86 1.98 33.27 42.75 1.12 31.67 10.57 28.77 107.84 8.55 29.75 109.51 coo 40.83 -2.48 29.90 39.16 -2.39 31.17 4.75 28.44 103.45 6.59 28.31 104.44 coo 45.95 0.11 28.25 43.87 0.82 26.55 10.04 26.44 102.60 11.44 24.36 103.85 2tmd_c03 source 2tmd TRIMETHYLAMINE DEHYDROGENASE : 4 hits 2tmd_c03 naa= 3 ULMN 3 2tpl_c04 TYROSINE PHENOL-LYASE user 1 3 # 1 A 122 TYR A 44 TYR^? 11.44 O2 SO4 B 229 A 214 ASP B 52 ASP^? 8.63 O2 SO4 B 229 A 256 LYS B 122 LYS^? 11.60 O2 SO4 B 229 coo -36.51 -15.34 5.35 -36.90 -16.76 7.69 -5.28 26.63 94.41 -7.11 24.62 93.85 coo -29.95 -11.32 -1.46 -28.83 -11.55 0.31 -5.20 17.74 96.96 -6.16 15.91 97.49 coo -18.13 -8.46 4.26 -20.75 -6.32 9.36 -10.43 15.56 110.86 -13.65 15.21 106.31 ULMN 3 2tpl_c04 TYROSINE PHENOL-LYASE user 2 3 # 2 A 122 TYR A 141 TYR^? 9.25 O4 SO4 A 229 A 214 ASP A 138 ASP^? 13.32 O1 SO4 A 229 A 256 LYS A 110 LYS^? 28.35 O1 SO4 A 229 coo -36.51 -15.34 5.35 -36.90 -16.76 7.69 12.91 44.78 109.54 12.66 42.85 107.55 coo -29.95 -11.32 -1.46 -28.83 -11.55 0.31 23.15 43.17 105.53 21.70 41.96 104.55 coo -18.13 -8.46 4.26 -20.75 -6.32 9.36 25.55 58.06 108.35 29.49 58.97 105.77 2tpl_c04 source 2tpl TYROSINE PHENOL-LYASE : 2 hits 2tpl_c04 naa= 3 ULMN 3 2tpl_c05 TYROSINE PHENOL-LYASE user 1 3 # 1 B 122 TYR A 44 TYR^? 11.44 O2 SO4 B 229 B 214 ASP B 52 ASP^? 8.63 O2 SO4 B 229 B 256 LYS B 122 LYS^? 11.60 O2 SO4 B 229 coo -32.67 22.74 10.17 -32.85 23.98 7.70 -5.28 26.63 94.41 -7.11 24.62 93.85 coo -26.88 17.61 16.89 -26.08 17.11 15.00 -5.20 17.74 96.96 -6.16 15.91 97.49 coo -16.04 12.06 11.09 -17.97 10.54 5.71 -10.43 15.56 110.86 -13.65 15.21 106.31 ULMN 3 2tpl_c05 TYROSINE PHENOL-LYASE user 2 3 # 2 B 122 TYR A 141 TYR^? 9.25 O4 SO4 A 229 B 214 ASP A 138 ASP^? 13.32 O1 SO4 A 229 B 256 LYS A 110 LYS^? 28.35 O1 SO4 A 229 coo -32.67 22.74 10.17 -32.85 23.98 7.70 12.91 44.78 109.54 12.66 42.85 107.55 coo -26.88 17.61 16.89 -26.08 17.11 15.00 23.15 43.17 105.53 21.70 41.96 104.55 coo -16.04 12.06 11.09 -17.97 10.54 5.71 25.55 58.06 108.35 29.49 58.97 105.77 2tpl_c05 source 2tpl TYROSINE PHENOL-LYASE : 2 hits 2tpl_c05 naa= 3 ULMN 3 2tps_c00 THIAMIN PHOSPHATE SYNTHASE user 1 3 # 1 A 59 ARG A 111 ARG^? 23.82 O1 SO4 A 229 A 130 SER A 144 SER^? 15.12 O1 SO4 A 229 A 159 LYS A 110 LYS^? 28.35 O1 SO4 A 229 coo 18.35 45.84 20.99 16.20 47.83 21.89 27.79 53.22 110.53 27.99 50.20 111.12 coo 15.14 43.67 10.77 15.61 44.43 13.04 18.44 47.73 113.02 18.01 47.36 110.65 coo 11.57 48.49 22.18 13.51 49.99 17.21 25.55 58.06 108.35 29.49 58.97 105.77 ULMN 3 2tps_c00 THIAMIN PHOSPHATE SYNTHASE user 2 3 # 2 A 59 ARG A 147 ARG^? 22.82 O1 SO4 A 229 A 130 SER A 140 SER^? 13.33 O1 SO4 A 229 A 159 LYS A 150 LYS^? 27.89 O1 SO4 A 229 coo 18.35 45.84 20.99 16.20 47.83 21.89 24.36 47.03 115.74 26.68 46.87 113.69 coo 15.14 43.67 10.77 15.61 44.43 13.04 16.67 42.99 109.88 16.46 41.74 111.93 coo 11.57 48.49 22.18 13.51 49.99 17.21 22.85 50.51 120.58 24.66 47.59 122.80 ULMN 3 2tps_c00 THIAMIN PHOSPHATE SYNTHASE user 3 3 # 3 A 59 ARG B 111 ARG^? 27.08 O3 SO4 B 229 A 130 SER B 144 SER^? 19.71 O3 SO4 B 229 A 159 LYS B 110 LYS^? 32.96 O3 SO4 B 229 coo 18.35 45.84 20.99 16.20 47.83 21.89 -24.28 12.69 119.80 -25.14 15.67 120.10 coo 15.14 43.67 10.77 15.61 44.43 13.04 -15.61 18.40 123.69 -14.86 18.39 121.37 coo 11.57 48.49 22.18 13.51 49.99 17.21 -21.89 7.24 119.36 -25.62 3.73 122.06 2tps_c00 source 2tps THIAMIN PHOSPHATE SYNTHASE : 3 hits 2tps_c00 naa= 3 ULMN 3 2tps_c01 THIAMIN PHOSPHATE SYNTHASE user 1 3 # 1 B 59 ARG A 111 ARG^? 23.82 O1 SO4 A 229 B 130 SER A 144 SER^? 15.12 O1 SO4 A 229 B 159 LYS A 110 LYS^? 28.35 O1 SO4 A 229 coo 58.72 31.58 20.45 60.80 29.39 20.94 27.79 53.22 110.53 27.99 50.20 111.12 coo 61.66 35.17 10.39 61.29 34.14 12.56 18.44 47.73 113.02 18.01 47.36 110.65 coo 65.38 28.77 21.17 63.49 28.03 16.12 25.55 58.06 108.35 29.49 58.97 105.77 ULMN 3 2tps_c01 THIAMIN PHOSPHATE SYNTHASE user 2 3 # 2 B 59 ARG A 136 ARG^? 18.26 O1 SO4 A 229 B 130 SER A 132 SER^? 26.46 O1 SO4 A 229 B 159 LYS A 122 LYS^? 10.06 O1 SO4 A 229 coo 58.72 31.58 20.45 60.80 29.39 20.94 23.23 51.88 101.29 21.27 53.39 99.53 coo 61.66 35.17 10.39 61.29 34.14 12.56 24.34 61.20 100.14 23.88 61.78 102.50 coo 65.38 28.77 21.17 63.49 28.03 16.12 16.00 48.82 99.35 17.27 43.58 96.56 ULMN 3 2tps_c01 THIAMIN PHOSPHATE SYNTHASE user 3 3 # 3 B 59 ARG A 147 ARG^? 22.82 O1 SO4 A 229 B 130 SER A 140 SER^? 13.33 O1 SO4 A 229 B 159 LYS A 150 LYS^? 27.89 O1 SO4 A 229 coo 58.72 31.58 20.45 60.80 29.39 20.94 24.36 47.03 115.74 26.68 46.87 113.69 coo 61.66 35.17 10.39 61.29 34.14 12.56 16.67 42.99 109.88 16.46 41.74 111.93 coo 65.38 28.77 21.17 63.49 28.03 16.12 22.85 50.51 120.58 24.66 47.59 122.80 ULMN 3 2tps_c01 THIAMIN PHOSPHATE SYNTHASE user 4 3 # 4 B 59 ARG B 111 ARG^? 27.08 O3 SO4 B 229 B 130 SER B 144 SER^? 19.71 O3 SO4 B 229 B 159 LYS B 110 LYS^? 32.96 O3 SO4 B 229 coo 58.72 31.58 20.45 60.80 29.39 20.94 -24.28 12.69 119.80 -25.14 15.67 120.10 coo 61.66 35.17 10.39 61.29 34.14 12.56 -15.61 18.40 123.69 -14.86 18.39 121.37 coo 65.38 28.77 21.17 63.49 28.03 16.12 -21.89 7.24 119.36 -25.62 3.73 122.06 ULMN 3 2tps_c01 THIAMIN PHOSPHATE SYNTHASE user 5 3 # 5 B 59 ARG B 147 ARG^? 25.99 O3 SO4 B 229 B 130 SER B 140 SER^? 18.74 O3 SO4 B 229 B 159 LYS B 150 LYS^? 31.23 O3 SO4 B 229 coo 58.72 31.58 20.45 60.80 29.39 20.94 -21.61 19.82 125.35 -22.38 21.70 123.03 coo 61.66 35.17 10.39 61.29 34.14 12.56 -13.55 22.77 120.12 -12.47 24.15 121.85 coo 65.38 28.77 21.17 63.49 28.03 16.12 -21.61 16.08 130.79 -22.65 22.25 130.12 2tps_c01 source 2tps THIAMIN PHOSPHATE SYNTHASE : 5 hits 2tps_c01 naa= 3 ULMN 3 5cox_c04 CYCLOOXYGENASE-2 user 1 3 # 1 A 203 GLN A 224 GLN^? 4.72 O3 SO4 A 230 A 207 HIS A 215 HIS^? -3.69 O3 SO4 A 230s A 385 TYR A 228 TYR^? 12.29 O4 SO4 B 229 coo 23.69 37.92 6.66 22.22 39.29 5.97 -16.13 39.14 104.70 -16.99 39.51 102.78 coo 27.49 36.78 4.86 25.87 35.83 3.93 -13.92 40.67 99.66 -13.69 38.69 100.32 coo 25.45 28.28 7.33 26.01 28.57 10.04 -6.50 33.95 102.32 -5.45 34.14 104.92 5cox_c04 source 5cox CYCLOOXYGENASE-2 : 1 hits 5cox_c04 naa= 3 ULMN 3 5cox_c05 CYCLOOXYGENASE-2 user 1 3 # 1 B 203 GLN A 224 GLN^? 4.72 O3 SO4 A 230 B 207 HIS A 215 HIS^? -3.69 O3 SO4 A 230s B 385 TYR A 228 TYR^? 12.29 O4 SO4 B 229 coo 71.73 24.29 -6.07 73.27 24.95 -7.36 -16.13 39.14 104.70 -16.99 39.51 102.78 coo 67.92 26.15 -5.01 69.53 27.05 -4.02 -13.92 40.67 99.66 -13.69 38.69 100.32 coo 69.83 23.77 3.61 69.22 21.05 3.32 -6.50 33.95 102.32 -5.45 34.14 104.92 ULMN 3 5cox_c05 CYCLOOXYGENASE-2 user 2 3 # 2 B 203 GLN B 224 GLN^? 22.59 O1 SO4 A 229 B 207 HIS B 215 HIS^? 20.82 O1 SO4 B 229 B 385 TYR B 228 TYR^? 12.23 O3 SO4 A 229 coo 71.73 24.29 -6.07 73.27 24.95 -7.36 17.58 26.13 117.01 19.05 25.80 115.50 coo 67.92 26.15 -5.01 69.53 27.05 -4.02 17.61 22.77 112.56 17.48 24.80 112.05 coo 69.83 23.77 3.61 69.22 21.05 3.32 10.57 28.77 107.84 8.55 29.75 109.51 5cox_c05 source 5cox CYCLOOXYGENASE-2 : 2 hits 5cox_c05 naa= 3 ULMN 3 5cox_c06 CYCLOOXYGENASE-2 user 1 3 # 1 C 203 GLN A 224 GLN^? 4.72 O3 SO4 A 230 C 207 HIS A 215 HIS^? -3.69 O3 SO4 A 230s C 385 TYR A 228 TYR^? 12.29 O4 SO4 B 229 coo 60.00 28.49 66.40 61.43 27.08 65.71 -16.13 39.14 104.70 -16.99 39.51 102.78 coo 56.23 29.81 64.65 57.85 30.66 63.63 -13.92 40.67 99.66 -13.69 38.69 100.32 coo 58.74 38.31 66.76 58.24 38.12 69.50 -6.50 33.95 102.32 -5.45 34.14 104.92 ULMN 3 5cox_c06 CYCLOOXYGENASE-2 user 2 3 # 2 C 203 GLN B 224 GLN^? 22.59 O1 SO4 A 229 C 207 HIS B 215 HIS^? 20.82 O1 SO4 B 229 C 385 TYR B 228 TYR^? 12.23 O3 SO4 A 229 coo 60.00 28.49 66.40 61.43 27.08 65.71 17.58 26.13 117.01 19.05 25.80 115.50 coo 56.23 29.81 64.65 57.85 30.66 63.63 17.61 22.77 112.56 17.48 24.80 112.05 coo 58.74 38.31 66.76 58.24 38.12 69.50 10.57 28.77 107.84 8.55 29.75 109.51 5cox_c06 source 5cox CYCLOOXYGENASE-2 : 2 hits 5cox_c06 naa= 3 ULMN 3 5cox_c07 CYCLOOXYGENASE-2 user 1 3 # 1 D 203 GLN A 224 GLN^? 4.72 O3 SO4 A 230 D 207 HIS A 215 HIS^? -3.69 O3 SO4 A 230s D 385 TYR A 228 TYR^? 12.29 O4 SO4 B 229 coo 12.27 43.90 54.45 10.71 43.30 53.17 -16.13 39.14 104.70 -16.99 39.51 102.78 coo 16.03 41.92 55.47 14.38 41.13 56.50 -13.92 40.67 99.66 -13.69 38.69 100.32 coo 14.46 44.71 64.03 15.12 47.37 63.64 -6.50 33.95 102.32 -5.45 34.14 104.92 ULMN 3 5cox_c07 CYCLOOXYGENASE-2 user 2 3 # 2 D 203 GLN B 224 GLN^? 22.59 O1 SO4 A 229 D 207 HIS B 215 HIS^? 20.82 O1 SO4 B 229 D 385 TYR B 228 TYR^? 12.23 O3 SO4 A 229 coo 12.27 43.90 54.45 10.71 43.30 53.17 17.58 26.13 117.01 19.05 25.80 115.50 coo 16.03 41.92 55.47 14.38 41.13 56.50 17.61 22.77 112.56 17.48 24.80 112.05 coo 14.46 44.71 64.03 15.12 47.37 63.64 10.57 28.77 107.84 8.55 29.75 109.51 5cox_c07 source 5cox CYCLOOXYGENASE-2 : 2 hits 5cox_c07 naa= 3 ULMN 3 5cpa_c01 CARBOXYPEPTIDASE A=ALPHA= (COX) (E.Cuser 1 3 # 1 71 ARG A 49 ARG^? -7.08 O1 SO4 A 229s 127 ARG A 117 ARG^? 9.09 O1 SO4 A 229 270 GLU A 143 GLU^? 15.50 O1 SO4 A 229 coo -1.14 25.72 1.64 0.76 28.10 1.50 10.25 36.07 104.69 11.36 37.50 107.24 coo 2.87 25.67 -2.58 1.96 27.95 -4.18 15.20 37.23 104.25 15.70 38.54 107.02 coo -7.41 30.69 -7.56 -5.96 29.61 -6.39 19.40 41.86 113.53 20.16 40.92 111.75 ULMN 3 5cpa_c01 CARBOXYPEPTIDASE A=ALPHA= (COX) (E.Cuser 2 3 # 2 71 ARG A 117 ARG^? 9.09 O1 SO4 A 229 127 ARG A 49 ARG^? -7.08 O1 SO4 A 229s 270 GLU A 143 GLU^? 15.50 O1 SO4 A 229 coo -1.14 25.72 1.64 0.76 28.10 1.50 15.20 37.23 104.25 15.70 38.54 107.02 coo 2.87 25.67 -2.58 1.96 27.95 -4.18 10.25 36.07 104.69 11.36 37.50 107.24 coo -7.41 30.69 -7.56 -5.96 29.61 -6.39 19.40 41.86 113.53 20.16 40.92 111.75 5cpa_c01 source 5cpa CARBOXYPEPTIDASE A=ALPHA= (COX) (E.C.3.4.17.1): 2 hits 5cpa_c01 naa= 3 ULMN 1 1kbk_p00 ALPHA-AMYLASE, PANCREATIC user 1 1 # 1 A 461 ASN A -1 ASN~? 7.62 O2 SO4 A 230 coo 5.80 63.03 55.85 5.52 65.03 56.45 -20.72 36.47 89.14 -19.13 37.89 88.96 ULMN 1 1kbk_p00 ALPHA-AMYLASE, PANCREATIC user 2 1 # 2 A 461 ASN A 3 ASN~? 10.01 O2 SO4 A 230 coo 5.80 63.03 55.85 5.52 65.03 56.45 -15.66 33.12 86.39 -15.82 35.16 86.97 ULMN 1 1kbk_p00 ALPHA-AMYLASE, PANCREATIC user 3 1 # 3 A 461 ASN A 13 ASN.? 19.28 O2 SO4 B 229 coo 5.80 63.03 55.85 5.52 65.03 56.45 -5.67 23.28 84.76 -3.53 23.45 85.09 ULMN 1 1kbk_p00 ALPHA-AMYLASE, PANCREATIC user 4 1 # 4 A 461 ASN A 14 ASN.? 15.31 O2 SO4 B 229 coo 5.80 63.03 55.85 5.52 65.03 56.45 -4.71 25.36 88.88 -5.40 23.36 89.18 ULMN 1 1kbk_p00 ALPHA-AMYLASE, PANCREATIC user 5 1 # 5 A 461 ASN A 60 ASN^? 8.61 O3 SO4 A 231 coo 5.80 63.03 55.85 5.52 65.03 56.45 11.24 30.46 86.13 13.17 31.33 86.46 ULMN 1 1kbk_p00 ALPHA-AMYLASE, PANCREATIC user 6 1 # 6 A 461 ASN A 80 ASN^? -4.91 O3 SO4 A 231s coo 5.80 63.03 55.85 5.52 65.03 56.45 11.97 41.28 84.18 13.37 41.01 85.80 ULMN 1 1kbk_p00 ALPHA-AMYLASE, PANCREATIC user 7 1 # 7 A 461 ASN A 81 ASN^? -3.51 O1 SO4 A 231s coo 5.80 63.03 55.85 5.52 65.03 56.45 9.88 40.99 79.16 11.43 41.68 77.91 ULMN 1 1kbk_p00 ALPHA-AMYLASE, PANCREATIC user 8 1 # 8 A 461 ASN A 108 ASN^? 31.71 O1 SO4 A 229 coo 5.80 63.03 55.85 5.52 65.03 56.45 23.42 63.46 112.90 25.40 64.20 113.21 ULMN 1 1kbk_p00 ALPHA-AMYLASE, PANCREATIC user 9 1 # 9 A 461 ASN A 159 ASN^? 10.67 O4 SO4 A 229 coo 5.80 63.03 55.85 5.52 65.03 56.45 5.71 49.12 108.69 6.11 47.57 110.12 ULMN 1 1kbk_p00 ALPHA-AMYLASE, PANCREATIC user 10 1 # 10 A 461 ASN A 164 ASN^? 27.30 O4 SO4 A 229 coo 5.80 63.03 55.85 5.52 65.03 56.45 3.60 55.42 123.05 4.01 54.98 125.08 ULMN 1 1kbk_p00 ALPHA-AMYLASE, PANCREATIC user 11 1 # 11 A 461 ASN B 13 ASN^? 12.96 O3 SO4 A 231 coo 5.80 63.03 55.85 5.52 65.03 56.45 17.39 25.10 87.74 16.85 26.71 86.40 ULMN 1 1kbk_p00 ALPHA-AMYLASE, PANCREATIC user 12 1 # 12 A 461 ASN B 14 ASN^? 14.30 O3 SO4 A 231 coo 5.80 63.03 55.85 5.52 65.03 56.45 16.26 28.09 91.11 15.87 29.49 92.68 ULMN 1 1kbk_p00 ALPHA-AMYLASE, PANCREATIC user 13 1 # 13 A 461 ASN B 60 ASN^? 17.59 O1 SO4 B 229 coo 5.80 63.03 55.85 5.52 65.03 56.45 1.10 20.85 87.08 -0.88 20.02 86.80 ULMN 1 1kbk_p00 ALPHA-AMYLASE, PANCREATIC user 14 1 # 14 A 461 ASN B 80 ASN^? 19.82 O1 SO4 B 229 coo 5.80 63.03 55.85 5.52 65.03 56.45 3.85 5.87 90.55 4.56 5.40 92.56 ULMN 1 1kbk_p00 ALPHA-AMYLASE, PANCREATIC user 15 1 # 15 A 461 ASN B 81 ASN^? 21.04 O1 SO4 B 229 coo 5.80 63.03 55.85 5.52 65.03 56.45 3.82 11.45 87.98 3.05 10.81 86.07 ULMN 1 1kbk_p00 ALPHA-AMYLASE, PANCREATIC user 16 1 # 16 A 461 ASN B 108 ASN^? 33.72 O3 SO4 B 229 coo 5.80 63.03 55.85 5.52 65.03 56.45 -21.52 1.86 123.78 -22.21 -0.15 123.44 ULMN 1 1kbk_p00 ALPHA-AMYLASE, PANCREATIC user 17 1 # 17 A 461 ASN B 159 ASN^? 12.45 O3 SO4 B 229 coo 5.80 63.03 55.85 5.52 65.03 56.45 -2.29 16.97 120.14 -2.10 17.25 118.07 ULMN 1 1kbk_p00 ALPHA-AMYLASE, PANCREATIC user 18 1 # 18 A 461 ASN B 164 ASN^? 24.84 O3 SO4 B 229 coo 5.80 63.03 55.85 5.52 65.03 56.45 -0.88 16.52 131.01 1.15 16.58 130.38 1kbk_p00 source 1kbk ALPHA-AMYLASE, PANCREATIC : 18 hits 1kbk_p00 naa= 1 ULMN 3 1uy2_p00 ENDO-1,4-BETA-XYLANASE A user 1 3 # 1 A 51 TYR A 44 TYR^? 11.44 O2 SO4 B 229 A 108 ASN B 60 ASN^? 17.59 O1 SO4 B 229 A 135 ASN A 13 ASN.? 19.28 O2 SO4 B 229 coo 17.59 4.66 17.88 15.38 5.96 18.97 -5.28 26.63 94.41 -7.11 24.62 93.85 coo 12.36 16.24 15.27 12.06 14.29 16.05 1.10 20.85 87.08 -0.88 20.02 86.80 coo 18.05 11.56 12.71 17.57 10.75 14.60 -5.67 23.28 84.76 -3.53 23.45 85.09 ULMN 3 1uy2_p00 ENDO-1,4-BETA-XYLANASE A user 2 3 # 2 A 51 TYR A 63 TYR^? 12.02 O3 SO4 A 229 A 108 ASN B 14 ASN^? 14.30 O3 SO4 A 231 A 135 ASN A 60 ASN^? 8.61 O3 SO4 A 231 coo 17.59 4.66 17.88 15.38 5.96 18.97 4.07 31.35 91.04 5.31 30.23 93.28 coo 12.36 16.24 15.27 12.06 14.29 16.05 16.26 28.09 91.11 15.87 29.49 92.68 coo 18.05 11.56 12.71 17.57 10.75 14.60 11.24 30.46 86.13 13.17 31.33 86.46 ULMN 3 1uy2_p00 ENDO-1,4-BETA-XYLANASE A user 3 3 # 3 A 51 TYR B 44 TYR^? 11.15 O1 SO4 A 229 A 108 ASN A 60 ASN^? 8.61 O3 SO4 A 231 A 135 ASN B 14 ASN^? 14.30 O3 SO4 A 231 coo 17.59 4.66 17.88 15.38 5.96 18.97 13.68 30.43 97.38 15.80 32.10 96.60 coo 12.36 16.24 15.27 12.06 14.29 16.05 11.24 30.46 86.13 13.17 31.33 86.46 coo 18.05 11.56 12.71 17.57 10.75 14.60 16.26 28.09 91.11 15.87 29.49 92.68 ULMN 3 1uy2_p00 ENDO-1,4-BETA-XYLANASE A user 4 3 # 4 A 51 TYR B 63 TYR^? 12.59 O4 SO4 B 229 A 108 ASN A 13 ASN.? 19.28 O2 SO4 B 229 A 135 ASN B 60 ASN^? 17.59 O1 SO4 B 229 coo 17.59 4.66 17.88 15.38 5.96 18.97 6.08 23.92 93.84 4.01 25.72 94.40 coo 12.36 16.24 15.27 12.06 14.29 16.05 -5.67 23.28 84.76 -3.53 23.45 85.09 coo 18.05 11.56 12.71 17.57 10.75 14.60 1.10 20.85 87.08 -0.88 20.02 86.80 ULMN 3 1uy2_p00 ENDO-1,4-BETA-XYLANASE A user 5 3 # 5 A 51 TYR B 63 TYR^? 12.59 O4 SO4 B 229 A 108 ASN A 14 ASN.? 15.31 O2 SO4 B 229 A 135 ASN B 60 ASN^? 17.59 O1 SO4 B 229 coo 17.59 4.66 17.88 15.38 5.96 18.97 6.08 23.92 93.84 4.01 25.72 94.40 coo 12.36 16.24 15.27 12.06 14.29 16.05 -4.71 25.36 88.88 -5.40 23.36 89.18 coo 18.05 11.56 12.71 17.57 10.75 14.60 1.10 20.85 87.08 -0.88 20.02 86.80 1uy2_p00 source 1uy2 ENDO-1,4-BETA-XYLANASE A : 5 hits 1uy2_p00 naa= 3 ULMN 3 1uy4_p00 ENDO-1,4-BETA-XYLANASE A user 1 3 # 1 A 51 TYR A 44 TYR^? 11.44 O2 SO4 B 229 A 108 ASN B 60 ASN^? 17.59 O1 SO4 B 229 A 135 ASN A 13 ASN.? 19.28 O2 SO4 B 229 coo 17.50 4.57 17.85 15.28 5.88 18.97 -5.28 26.63 94.41 -7.11 24.62 93.85 coo 12.22 15.98 15.24 11.94 14.05 16.09 1.10 20.85 87.08 -0.88 20.02 86.80 coo 17.94 11.43 12.65 17.42 10.61 14.53 -5.67 23.28 84.76 -3.53 23.45 85.09 ULMN 3 1uy4_p00 ENDO-1,4-BETA-XYLANASE A user 2 3 # 2 A 51 TYR A 63 TYR^? 12.02 O3 SO4 A 229 A 108 ASN B 14 ASN^? 14.30 O3 SO4 A 231 A 135 ASN A 60 ASN^? 8.61 O3 SO4 A 231 coo 17.50 4.57 17.85 15.28 5.88 18.97 4.07 31.35 91.04 5.31 30.23 93.28 coo 12.22 15.98 15.24 11.94 14.05 16.09 16.26 28.09 91.11 15.87 29.49 92.68 coo 17.94 11.43 12.65 17.42 10.61 14.53 11.24 30.46 86.13 13.17 31.33 86.46 ULMN 3 1uy4_p00 ENDO-1,4-BETA-XYLANASE A user 3 3 # 3 A 51 TYR B 44 TYR^? 11.15 O1 SO4 A 229 A 108 ASN A 60 ASN^? 8.61 O3 SO4 A 231 A 135 ASN B 14 ASN^? 14.30 O3 SO4 A 231 coo 17.50 4.57 17.85 15.28 5.88 18.97 13.68 30.43 97.38 15.80 32.10 96.60 coo 12.22 15.98 15.24 11.94 14.05 16.09 11.24 30.46 86.13 13.17 31.33 86.46 coo 17.94 11.43 12.65 17.42 10.61 14.53 16.26 28.09 91.11 15.87 29.49 92.68 ULMN 3 1uy4_p00 ENDO-1,4-BETA-XYLANASE A user 4 3 # 4 A 51 TYR B 63 TYR^? 12.59 O4 SO4 B 229 A 108 ASN A 14 ASN.? 15.31 O2 SO4 B 229 A 135 ASN B 60 ASN^? 17.59 O1 SO4 B 229 coo 17.50 4.57 17.85 15.28 5.88 18.97 6.08 23.92 93.84 4.01 25.72 94.40 coo 12.22 15.98 15.24 11.94 14.05 16.09 -4.71 25.36 88.88 -5.40 23.36 89.18 coo 17.94 11.43 12.65 17.42 10.61 14.53 1.10 20.85 87.08 -0.88 20.02 86.80 1uy4_p00 source 1uy4 ENDO-1,4-BETA-XYLANASE A : 4 hits 1uy4_p00 naa= 3 ULMN 4 2cl8_p00 DECTIN-1 user 1 4 # 1 A 145 ARG A 54 ARG^? -2.64 O2 SO4 A 229s A 148 SER A 69 SER^? 7.95 O2 SO4 A 229 A 152 ALA A 73 ALA^? 11.43 O2 SO4 A 229 A 194 GLU A 87 GLU^? 17.80 O2 SO4 A 229 coo -29.52 -1.51 -10.80 -29.25 -1.07 -13.87 5.30 36.31 96.12 6.03 38.74 97.87 coo -35.30 0.90 -4.91 -36.19 -1.20 -5.57 3.96 46.55 95.52 6.09 47.55 96.26 coo -37.81 4.22 -2.30 -36.99 5.43 -2.37 6.77 46.41 90.13 5.23 46.35 90.03 coo -43.25 5.44 -9.45 -44.36 4.89 -7.68 -1.36 49.08 88.76 -0.85 50.53 87.31 ULMN 4 2cl8_p00 DECTIN-1 user 2 4 # 2 A 145 ARG A 54 ARG^? -2.64 O2 SO4 A 229s A 148 SER A 69 SER^? 7.95 O2 SO4 A 229 A 152 ALA A 185 ALA^? 11.02 O2 SO4 A 229 A 194 GLU A 74 GLU^? 15.20 O4 SO4 A 231 coo -29.52 -1.51 -10.80 -29.25 -1.07 -13.87 5.30 36.31 96.12 6.03 38.74 97.87 coo -35.30 0.90 -4.91 -36.19 -1.20 -5.57 3.96 46.55 95.52 6.09 47.55 96.26 coo -37.81 4.22 -2.30 -36.99 5.43 -2.37 5.07 51.01 98.29 6.11 51.39 99.32 coo -43.25 5.44 -9.45 -44.36 4.89 -7.68 6.06 51.55 88.92 5.14 51.51 86.98 ULMN 4 2cl8_p00 DECTIN-1 user 3 4 # 3 A 145 ARG A 54 ARG^? -2.64 O2 SO4 A 229s A 148 SER A 69 SER^? 7.95 O2 SO4 A 229 A 152 ALA A 188 ALA^? 10.81 O2 SO4 A 229 A 194 GLU A 74 GLU^? 15.20 O4 SO4 A 231 coo -29.52 -1.51 -10.80 -29.25 -1.07 -13.87 5.30 36.31 96.12 6.03 38.74 97.87 coo -35.30 0.90 -4.91 -36.19 -1.20 -5.57 3.96 46.55 95.52 6.09 47.55 96.26 coo -37.81 4.22 -2.30 -36.99 5.43 -2.37 -0.83 46.17 95.60 -1.93 45.33 96.24 coo -43.25 5.44 -9.45 -44.36 4.89 -7.68 6.06 51.55 88.92 5.14 51.51 86.98 ULMN 4 2cl8_p00 DECTIN-1 user 4 4 # 4 A 145 ARG A 54 ARG^? -2.64 O2 SO4 A 229s A 148 SER A 69 SER^? 7.95 O2 SO4 A 229 A 152 ALA A 188 ALA^? 10.81 O2 SO4 A 229 A 194 GLU A 87 GLU^? 17.80 O2 SO4 A 229 coo -29.52 -1.51 -10.80 -29.25 -1.07 -13.87 5.30 36.31 96.12 6.03 38.74 97.87 coo -35.30 0.90 -4.91 -36.19 -1.20 -5.57 3.96 46.55 95.52 6.09 47.55 96.26 coo -37.81 4.22 -2.30 -36.99 5.43 -2.37 -0.83 46.17 95.60 -1.93 45.33 96.24 coo -43.25 5.44 -9.45 -44.36 4.89 -7.68 -1.36 49.08 88.76 -0.85 50.53 87.31 ULMN 4 2cl8_p00 DECTIN-1 user 5 4 # 5 A 145 ARG B 54 ARG^? -2.73 O1 SO4 B 229s A 148 SER B 69 SER^? 7.59 O1 SO4 B 229 A 152 ALA B 185 ALA^? 10.94 O1 SO4 B 229 A 194 GLU B 74 GLU^? 16.10 O1 SO4 B 229 coo -29.52 -1.51 -10.80 -29.25 -1.07 -13.87 2.04 21.87 100.04 0.47 20.79 102.47 coo -35.30 0.90 -4.91 -36.19 -1.20 -5.57 2.50 13.30 105.34 0.09 12.83 105.70 coo -37.81 4.22 -2.30 -36.99 5.43 -2.37 0.02 10.85 109.56 -1.39 10.88 110.17 coo -43.25 5.44 -9.45 -44.36 4.89 -7.68 0.29 5.91 102.04 1.64 4.74 100.89 ULMN 4 2cl8_p00 DECTIN-1 user 6 4 # 6 A 145 ARG B 54 ARG^? -2.73 O1 SO4 B 229s A 148 SER B 69 SER^? 7.59 O1 SO4 B 229 A 152 ALA B 188 ALA^? 10.65 O1 SO4 B 229 A 194 GLU B 87 GLU^? 17.71 O1 SO4 B 229 coo -29.52 -1.51 -10.80 -29.25 -1.07 -13.87 2.04 21.87 100.04 0.47 20.79 102.47 coo -35.30 0.90 -4.91 -36.19 -1.20 -5.57 2.50 13.30 105.34 0.09 12.83 105.70 coo -37.81 4.22 -2.30 -36.99 5.43 -2.37 6.79 14.17 107.25 7.50 15.38 107.84 coo -43.25 5.44 -9.45 -44.36 4.89 -7.68 10.05 8.18 103.44 9.48 6.19 103.45 2cl8_p00 source 2cl8 DECTIN-1 : 6 hits 2cl8_p00 naa= 4 ULMN 3 2p3i_p00 VP4 user 1 3 # 1 A 101 ARG A 70 ARG^? 17.64 O2 SO4 A 229 A 188 TYR A 93 TYR^? 6.38 O2 SO4 A 229 A 190 SER A 69 SER^? 7.95 O2 SO4 A 229 coo 37.69 7.64 13.51 38.82 8.84 16.11 2.37 50.83 90.43 1.13 53.29 89.13 coo 47.14 12.10 13.73 48.75 12.33 16.01 1.20 45.36 98.99 3.01 43.25 98.50 coo 43.77 6.93 15.46 45.49 7.21 17.11 3.96 46.55 95.52 6.09 47.55 96.26 ULMN 3 2p3i_p00 VP4 user 2 3 # 2 A 101 ARG A 117 ARG^? 9.09 O1 SO4 A 229 A 188 TYR A 141 TYR^? 9.25 O4 SO4 A 229 A 190 SER A 118 SER^? 6.22 O1 SO4 A 229 coo 37.69 7.64 13.51 38.82 8.84 16.11 15.20 37.23 104.25 15.70 38.54 107.02 coo 47.14 12.10 13.73 48.75 12.33 16.01 12.91 44.78 109.54 12.66 42.85 107.55 coo 43.77 6.93 15.46 45.49 7.21 17.11 12.94 43.53 101.47 11.74 45.37 102.38 ULMN 3 2p3i_p00 VP4 user 3 3 # 3 A 101 ARG B 70 ARG^? 17.55 O1 SO4 B 229 A 188 TYR B 93 TYR^? -6.26 O1 SO4 B 229s A 190 SER B 69 SER^? 7.59 O1 SO4 B 229 coo 37.69 7.64 13.51 38.82 8.84 16.11 4.92 7.16 103.42 6.42 4.45 103.73 coo 47.14 12.10 13.73 48.75 12.33 16.01 3.42 16.10 108.71 2.04 17.62 106.85 coo 43.77 6.93 15.46 45.49 7.21 17.11 2.50 13.30 105.34 0.09 12.83 105.70 ULMN 3 2p3i_p00 VP4 user 4 3 # 4 A 101 ARG B 117 ARG^? 15.21 O3 SO4 B 229 A 188 TYR B 141 TYR^? 18.84 O3 SO4 B 229 A 190 SER B 140 SER^? 18.74 O3 SO4 B 229 coo 37.69 7.64 13.51 38.82 8.84 16.11 -11.94 27.43 114.35 -11.31 26.82 117.30 coo 47.14 12.10 13.73 48.75 12.33 16.01 -9.09 19.42 122.99 -7.89 17.76 124.89 coo 43.77 6.93 15.46 45.49 7.21 17.11 -13.55 22.77 120.12 -12.47 24.15 121.85 2p3i_p00 source 2p3i VP4 : 4 hits 2p3i_p00 naa= 3 ULMN 3 2v3r_p00 EXOGLUCANASE 1 user 1 3 # 1 A 270 ASN A 108 ASN^? 31.71 O1 SO4 A 229 A 384 ASN A 164 ASN^? 27.30 O4 SO4 A 229 A 385 GLU A 163 GLU^? 27.84 O4 SO4 A 229 coo 22.28 63.17 110.61 22.47 65.06 111.53 23.42 63.46 112.90 25.40 64.20 113.21 coo 7.06 50.07 96.17 8.50 48.54 96.31 3.60 55.42 123.05 4.01 54.98 125.08 coo 11.59 49.83 99.41 10.92 47.97 100.16 3.56 59.76 119.79 1.89 60.37 121.02 ULMN 3 2v3r_p00 EXOGLUCANASE 1 user 2 3 # 2 A 270 ASN A 159 ASN^? 10.67 O4 SO4 A 229 A 384 ASN A 108 ASN^? 31.71 O1 SO4 A 229 A 385 GLU A 105 GLU^? 30.13 O4 SO4 A 229 coo 22.28 63.17 110.61 22.47 65.06 111.53 5.71 49.12 108.69 6.11 47.57 110.12 coo 7.06 50.07 96.17 8.50 48.54 96.31 23.42 63.46 112.90 25.40 64.20 113.21 coo 11.59 49.83 99.41 10.92 47.97 100.16 20.63 62.21 117.15 22.45 61.29 117.66 ULMN 3 2v3r_p00 EXOGLUCANASE 1 user 3 3 # 3 A 270 ASN A 164 ASN^? 27.30 O4 SO4 A 229 A 384 ASN A 108 ASN^? 31.71 O1 SO4 A 229 A 385 GLU A 105 GLU^? 30.13 O4 SO4 A 229 coo 22.28 63.17 110.61 22.47 65.06 111.53 3.60 55.42 123.05 4.01 54.98 125.08 coo 7.06 50.07 96.17 8.50 48.54 96.31 23.42 63.46 112.90 25.40 64.20 113.21 coo 11.59 49.83 99.41 10.92 47.97 100.16 20.63 62.21 117.15 22.45 61.29 117.66 ULMN 3 2v3r_p00 EXOGLUCANASE 1 user 4 3 # 4 A 270 ASN B 159 ASN^? 12.45 O3 SO4 B 229 A 384 ASN B 108 ASN^? 33.72 O3 SO4 B 229 A 385 GLU B 105 GLU^? 33.36 O3 SO4 B 229 coo 22.28 63.17 110.61 22.47 65.06 111.53 -2.29 16.97 120.14 -2.10 17.25 118.07 coo 7.06 50.07 96.17 8.50 48.54 96.31 -21.52 1.86 123.78 -22.21 -0.15 123.44 coo 11.59 49.83 99.41 10.92 47.97 100.16 -18.43 5.03 129.05 -20.50 4.52 128.90 ULMN 3 2v3r_p00 EXOGLUCANASE 1 user 5 3 # 5 A 270 ASN B 164 ASN^? 24.84 O3 SO4 B 229 A 384 ASN B 108 ASN^? 33.72 O3 SO4 B 229 A 385 GLU B 105 GLU^? 33.36 O3 SO4 B 229 coo 22.28 63.17 110.61 22.47 65.06 111.53 -0.88 16.52 131.01 1.15 16.58 130.38 coo 7.06 50.07 96.17 8.50 48.54 96.31 -21.52 1.86 123.78 -22.21 -0.15 123.44 coo 11.59 49.83 99.41 10.92 47.97 100.16 -18.43 5.03 129.05 -20.50 4.52 128.90 2v3r_p00 source 2v3r EXOGLUCANASE 1 : 5 hits 2v3r_p00 naa= 3 ULMN 3 1cqt_d00 GENE REGULATION/DNA user 1 3 # 1 I 303 TYR A 44 TYR^? 11.44 O2 SO4 B 229 I 306 VAL A 16 VAL^? 14.61 O4 SO4 B 229 I 308 VAL B 62 VAL^? 15.98 O4 SO4 B 229 coo 26.18 35.24 6.87 24.33 35.18 8.97 -5.28 26.63 94.41 -7.11 24.62 93.85 coo 23.55 29.53 9.81 23.15 27.39 10.24 -1.68 29.92 90.89 -0.62 28.17 91.67 coo 16.43 30.18 9.35 15.05 30.67 11.01 5.10 24.02 89.40 3.24 25.07 89.98 ULMN 3 1cqt_d00 GENE REGULATION/DNA user 2 3 # 2 I 303 TYR A 63 TYR^? 12.02 O3 SO4 A 229 I 306 VAL A 55 VAL^? 9.32 O4 SO4 A 231 I 308 VAL A 67 VAL^? 8.28 O2 SO4 A 229 coo 26.18 35.24 6.87 24.33 35.18 8.97 4.07 31.35 91.04 5.31 30.23 93.28 coo 23.55 29.53 9.81 23.15 27.39 10.24 8.94 37.60 90.34 8.88 39.78 89.95 coo 16.43 30.18 9.35 15.05 30.67 11.01 1.49 40.08 93.94 -0.37 40.23 95.14 ULMN 3 1cqt_d00 GENE REGULATION/DNA user 3 3 # 3 I 303 TYR A 63 TYR^? 12.02 O3 SO4 A 229 I 306 VAL A 55 VAL^? 9.32 O4 SO4 A 231 I 308 VAL A 68 VAL^? 6.48 O2 SO4 A 229 coo 26.18 35.24 6.87 24.33 35.18 8.97 4.07 31.35 91.04 5.31 30.23 93.28 coo 23.55 29.53 9.81 23.15 27.39 10.24 8.94 37.60 90.34 8.88 39.78 89.95 coo 16.43 30.18 9.35 15.05 30.67 11.01 4.00 42.82 94.78 5.52 42.39 93.19 ULMN 3 1cqt_d00 GENE REGULATION/DNA user 4 3 # 4 I 303 TYR A 63 TYR^? 12.02 O3 SO4 A 229 I 306 VAL B 62 VAL^? 15.98 O4 SO4 B 229 I 308 VAL B 16 VAL^? 14.04 O3 SO4 A 229 coo 26.18 35.24 6.87 24.33 35.18 8.97 4.07 31.35 91.04 5.31 30.23 93.28 coo 23.55 29.53 9.81 23.15 27.39 10.24 5.10 24.02 89.40 3.24 25.07 89.98 coo 16.43 30.18 9.35 15.05 30.67 11.01 11.43 25.59 95.34 10.33 27.32 94.48 ULMN 3 1cqt_d00 GENE REGULATION/DNA user 5 3 # 5 I 303 TYR A 76 TYR^? 9.48 O2 SO4 A 229 I 306 VAL A 55 VAL^? 9.32 O4 SO4 A 231 I 308 VAL A 67 VAL^? 8.28 O2 SO4 A 229 coo 26.18 35.24 6.87 24.33 35.18 8.97 10.27 43.52 89.91 10.78 42.74 92.53 coo 23.55 29.53 9.81 23.15 27.39 10.24 8.94 37.60 90.34 8.88 39.78 89.95 coo 16.43 30.18 9.35 15.05 30.67 11.01 1.49 40.08 93.94 -0.37 40.23 95.14 ULMN 3 1cqt_d00 GENE REGULATION/DNA user 6 3 # 6 I 303 TYR A 76 TYR^? 9.48 O2 SO4 A 229 I 306 VAL A 68 VAL^? 6.48 O2 SO4 A 229 I 308 VAL A 189 VAL^? 11.70 O2 SO4 A 229 coo 26.18 35.24 6.87 24.33 35.18 8.97 10.27 43.52 89.91 10.78 42.74 92.53 coo 23.55 29.53 9.81 23.15 27.39 10.24 4.00 42.82 94.78 5.52 42.39 93.19 coo 16.43 30.18 9.35 15.05 30.67 11.01 -0.38 45.18 91.98 1.30 46.43 91.28 ULMN 3 1cqt_d00 GENE REGULATION/DNA user 7 3 # 7 I 303 TYR A 76 TYR^? 9.48 O2 SO4 A 229 I 306 VAL A 68 VAL^? 6.48 O2 SO4 A 229 I 308 VAL A 190 VAL^? 12.71 O2 SO4 A 229 coo 26.18 35.24 6.87 24.33 35.18 8.97 10.27 43.52 89.91 10.78 42.74 92.53 coo 23.55 29.53 9.81 23.15 27.39 10.24 4.00 42.82 94.78 5.52 42.39 93.19 coo 16.43 30.18 9.35 15.05 30.67 11.01 -0.55 41.85 90.11 -2.24 40.36 90.24 ULMN 3 1cqt_d00 GENE REGULATION/DNA user 8 3 # 8 I 303 TYR A 93 TYR^? 6.38 O2 SO4 A 229 I 306 VAL A 68 VAL^? 6.48 O2 SO4 A 229 I 308 VAL A 190 VAL^? 12.71 O2 SO4 A 229 coo 26.18 35.24 6.87 24.33 35.18 8.97 1.20 45.36 98.99 3.01 43.25 98.50 coo 23.55 29.53 9.81 23.15 27.39 10.24 4.00 42.82 94.78 5.52 42.39 93.19 coo 16.43 30.18 9.35 15.05 30.67 11.01 -0.55 41.85 90.11 -2.24 40.36 90.24 ULMN 3 1cqt_d00 GENE REGULATION/DNA user 9 3 # 9 I 303 TYR A 141 TYR^? 9.25 O4 SO4 A 229 I 306 VAL A 156 VAL^? 15.81 O4 SO4 A 229 I 308 VAL A 112 VAL^? 19.00 O1 SO4 A 229 coo 26.18 35.24 6.87 24.33 35.18 8.97 12.91 44.78 109.54 12.66 42.85 107.55 coo 23.55 29.53 9.81 23.15 27.39 10.24 16.02 52.40 109.24 15.10 50.60 110.23 coo 16.43 30.18 9.35 15.05 30.67 11.01 21.31 52.81 107.66 21.00 53.95 105.83 ULMN 3 1cqt_d00 GENE REGULATION/DNA user 10 3 # 10 I 303 TYR B 63 TYR^? 12.59 O4 SO4 B 229 I 306 VAL A 62 VAL^? 13.93 O4 SO4 A 231 I 308 VAL A 16 VAL^? 14.61 O4 SO4 B 229 coo 26.18 35.24 6.87 24.33 35.18 8.97 6.08 23.92 93.84 4.01 25.72 94.40 coo 23.55 29.53 9.81 23.15 27.39 10.24 6.18 28.68 87.93 7.55 28.27 89.60 coo 16.43 30.18 9.35 15.05 30.67 11.01 -1.68 29.92 90.89 -0.62 28.17 91.67 ULMN 3 1cqt_d00 GENE REGULATION/DNA user 11 3 # 11 I 303 TYR B 63 TYR^? 12.59 O4 SO4 B 229 I 306 VAL B 55 VAL^? 9.81 O1 SO4 B 229 I 308 VAL B 67 VAL^? 8.54 O1 SO4 B 229 coo 26.18 35.24 6.87 24.33 35.18 8.97 6.08 23.92 93.84 4.01 25.72 94.40 coo 23.55 29.53 9.81 23.15 27.39 10.24 1.17 17.40 94.93 0.12 15.77 96.01 coo 16.43 30.18 9.35 15.05 30.67 11.01 6.27 18.32 101.83 7.47 19.11 103.52 ULMN 3 1cqt_d00 GENE REGULATION/DNA user 12 3 # 12 I 303 TYR B 63 TYR^? 12.59 O4 SO4 B 229 I 306 VAL B 55 VAL^? 9.81 O1 SO4 B 229 I 308 VAL B 68 VAL^? 6.49 O1 SO4 B 229 coo 26.18 35.24 6.87 24.33 35.18 8.97 6.08 23.92 93.84 4.01 25.72 94.40 coo 23.55 29.53 9.81 23.15 27.39 10.24 1.17 17.40 94.93 0.12 15.77 96.01 coo 16.43 30.18 9.35 15.05 30.67 11.01 3.25 16.22 102.98 2.56 15.62 100.98 ULMN 3 1cqt_d00 GENE REGULATION/DNA user 13 3 # 13 I 303 TYR B 76 TYR^? 10.65 O1 SO4 B 229 I 306 VAL B 55 VAL^? 9.81 O1 SO4 B 229 I 308 VAL B 67 VAL^? 8.54 O1 SO4 B 229 coo 26.18 35.24 6.87 24.33 35.18 8.97 -1.19 11.89 95.80 -2.29 13.70 97.62 coo 23.55 29.53 9.81 23.15 27.39 10.24 1.17 17.40 94.93 0.12 15.77 96.01 coo 16.43 30.18 9.35 15.05 30.67 11.01 6.27 18.32 101.83 7.47 19.11 103.52 ULMN 3 1cqt_d00 GENE REGULATION/DNA user 14 3 # 14 I 303 TYR B 76 TYR^? 10.65 O1 SO4 B 229 I 306 VAL B 55 VAL^? 9.81 O1 SO4 B 229 I 308 VAL B 68 VAL^? 6.49 O1 SO4 B 229 coo 26.18 35.24 6.87 24.33 35.18 8.97 -1.19 11.89 95.80 -2.29 13.70 97.62 coo 23.55 29.53 9.81 23.15 27.39 10.24 1.17 17.40 94.93 0.12 15.77 96.01 coo 16.43 30.18 9.35 15.05 30.67 11.01 3.25 16.22 102.98 2.56 15.62 100.98 ULMN 3 1cqt_d00 GENE REGULATION/DNA user 15 3 # 15 I 303 TYR B 93 TYR^? -6.26 O1 SO4 B 229s I 306 VAL B 68 VAL^? 6.49 O1 SO4 B 229 I 308 VAL B 190 VAL^? 12.98 O1 SO4 B 229 coo 26.18 35.24 6.87 24.33 35.18 8.97 3.42 16.10 108.71 2.04 17.62 106.85 coo 23.55 29.53 9.81 23.15 27.39 10.24 3.25 16.22 102.98 2.56 15.62 100.98 coo 16.43 30.18 9.35 15.05 30.67 11.01 9.44 15.03 100.81 11.18 16.42 100.97 ULMN 3 1cqt_d00 GENE REGULATION/DNA user 16 3 # 16 I 303 TYR B 141 TYR^? 18.84 O3 SO4 B 229 I 306 VAL B 156 VAL^? 19.38 O3 SO4 B 229 I 308 VAL B 112 VAL^? 20.55 O3 SO4 B 229 coo 26.18 35.24 6.87 24.33 35.18 8.97 -9.09 19.42 122.99 -7.89 17.76 124.89 coo 23.55 29.53 9.81 23.15 27.39 10.24 -12.82 13.32 120.96 -12.13 15.26 121.84 coo 16.43 30.18 9.35 15.05 30.67 11.01 -17.66 12.40 118.63 -16.12 11.88 117.09 ULMN 3 1cqt_d00 GENE REGULATION/DNA user 17 3 # 17 I 303 TYR B 141 TYR^? 18.84 O3 SO4 B 229 I 306 VAL B 156 VAL^? 19.38 O3 SO4 B 229 I 308 VAL B 153 VAL^? 25.18 O3 SO4 B 229 coo 26.18 35.24 6.87 24.33 35.18 8.97 -9.09 19.42 122.99 -7.89 17.76 124.89 coo 23.55 29.53 9.81 23.15 27.39 10.24 -12.82 13.32 120.96 -12.13 15.26 121.84 coo 16.43 30.18 9.35 15.05 30.67 11.01 -20.60 13.65 123.61 -19.64 15.09 122.27 1cqt_d00 source 1cqt GENE REGULATION/DNA : 17 hits 1cqt_d00 naa= 3 ULMN 3 1emh_d00 HYDROLASE/DNA user 1 3 # 1 A 271 PRO A 22 PRO^? 9.31 O3 SO4 A 229 A 272 LEU A 21 LEU^? 6.71 O3 SO4 A 229 A 276 ARG A 49 ARG^? -7.08 O1 SO4 A 229s coo 16.45 -2.42 17.59 14.58 -2.74 16.47 -1.26 34.16 105.01 -0.12 36.08 104.72 coo 10.97 0.43 16.73 11.31 2.11 18.06 3.67 34.78 104.82 4.70 32.84 104.89 coo 5.13 -4.12 13.47 2.16 -3.72 14.17 10.25 36.07 104.69 11.36 37.50 107.24 ULMN 3 1emh_d00 HYDROLASE/DNA user 2 3 # 2 A 271 PRO A 22 PRO^? 9.31 O3 SO4 A 229 A 272 LEU A 21 LEU^? 6.71 O3 SO4 A 229 A 276 ARG A 54 ARG^? -2.64 O2 SO4 A 229s coo 16.45 -2.42 17.59 14.58 -2.74 16.47 -1.26 34.16 105.01 -0.12 36.08 104.72 coo 10.97 0.43 16.73 11.31 2.11 18.06 3.67 34.78 104.82 4.70 32.84 104.89 coo 5.13 -4.12 13.47 2.16 -3.72 14.17 5.30 36.31 96.12 6.03 38.74 97.87 ULMN 3 1emh_d00 HYDROLASE/DNA user 3 3 # 3 A 271 PRO A 22 PRO^? 9.31 O3 SO4 A 229 A 272 LEU B 21 LEU^? 6.69 O4 SO4 B 229 A 276 ARG B 54 ARG^? -2.73 O1 SO4 B 229s coo 16.45 -2.42 17.59 14.58 -2.74 16.47 -1.26 34.16 105.01 -0.12 36.08 104.72 coo 10.97 0.43 16.73 11.31 2.11 18.06 0.06 27.93 106.11 -0.53 29.65 104.92 coo 5.13 -4.12 13.47 2.16 -3.72 14.17 2.04 21.87 100.04 0.47 20.79 102.47 ULMN 3 1emh_d00 HYDROLASE/DNA user 4 3 # 4 A 271 PRO A 180 PRO^? 20.71 O2 SO4 A 229 A 272 LEU A 183 LEU^? 17.78 O2 SO4 A 229 A 276 ARG A 70 ARG^? 17.64 O2 SO4 A 229 coo 16.45 -2.42 17.59 14.58 -2.74 16.47 6.31 60.62 93.02 5.95 60.09 95.16 coo 10.97 0.43 16.73 11.31 2.11 18.06 2.06 56.81 98.16 0.35 57.54 99.42 coo 5.13 -4.12 13.47 2.16 -3.72 14.17 2.37 50.83 90.43 1.13 53.29 89.13 ULMN 3 1emh_d00 HYDROLASE/DNA user 5 3 # 5 A 271 PRO A 198 PRO^? 16.92 O4 SO4 A 231 A 272 LEU A 202 LEU^? 16.21 O1 SO4 A 230 A 276 ARG A 204 ARG^? 16.71 O4 SO4 A 231 coo 16.45 -2.42 17.59 14.58 -2.74 16.47 -3.45 32.96 77.02 -4.10 34.88 78.03 coo 10.97 0.43 16.73 11.31 2.11 18.06 -8.18 35.17 82.59 -9.27 33.39 83.37 coo 5.13 -4.12 13.47 2.16 -3.72 14.17 -6.84 43.91 80.86 -3.85 44.77 81.39 ULMN 3 1emh_d00 HYDROLASE/DNA user 6 3 # 6 A 271 PRO B 22 PRO^? 9.26 O4 SO4 B 229 A 272 LEU A 21 LEU^? 6.71 O3 SO4 A 229 A 276 ARG A 54 ARG^? -2.64 O2 SO4 A 229s coo 16.45 -2.42 17.59 14.58 -2.74 16.47 4.60 29.27 108.11 3.54 27.31 108.22 coo 10.97 0.43 16.73 11.31 2.11 18.06 3.67 34.78 104.82 4.70 32.84 104.89 coo 5.13 -4.12 13.47 2.16 -3.72 14.17 5.30 36.31 96.12 6.03 38.74 97.87 ULMN 3 1emh_d00 HYDROLASE/DNA user 7 3 # 7 A 271 PRO B 22 PRO^? 9.26 O4 SO4 B 229 A 272 LEU B 21 LEU^? 6.69 O4 SO4 B 229 A 276 ARG B 49 ARG^? -5.45 O4 SO4 B 229s coo 16.45 -2.42 17.59 14.58 -2.74 16.47 4.60 29.27 108.11 3.54 27.31 108.22 coo 10.97 0.43 16.73 11.31 2.11 18.06 0.06 27.93 106.11 -0.53 29.65 104.92 coo 5.13 -4.12 13.47 2.16 -3.72 14.17 -5.59 26.20 104.46 -4.44 26.24 107.34 ULMN 3 1emh_d00 HYDROLASE/DNA user 8 3 # 8 A 271 PRO B 22 PRO^? 9.26 O4 SO4 B 229 A 272 LEU B 21 LEU^? 6.69 O4 SO4 B 229 A 276 ARG B 54 ARG^? -2.73 O1 SO4 B 229s coo 16.45 -2.42 17.59 14.58 -2.74 16.47 4.60 29.27 108.11 3.54 27.31 108.22 coo 10.97 0.43 16.73 11.31 2.11 18.06 0.06 27.93 106.11 -0.53 29.65 104.92 coo 5.13 -4.12 13.47 2.16 -3.72 14.17 2.04 21.87 100.04 0.47 20.79 102.47 ULMN 3 1emh_d00 HYDROLASE/DNA user 9 3 # 9 A 271 PRO B 90 PRO^? 17.56 O1 SO4 B 229 A 272 LEU B 183 LEU^? 17.78 O1 SO4 B 229 A 276 ARG B 70 ARG^? 17.55 O1 SO4 B 229 coo 16.45 -2.42 17.59 14.58 -2.74 16.47 8.07 7.12 113.44 8.11 9.24 112.69 coo 10.97 0.43 16.73 11.31 2.11 18.06 2.66 5.32 112.63 4.77 5.52 113.23 coo 5.13 -4.12 13.47 2.16 -3.72 14.17 4.92 7.16 103.42 6.42 4.45 103.73 ULMN 3 1emh_d00 HYDROLASE/DNA user 10 3 # 10 A 271 PRO B 180 PRO^? 20.16 O1 SO4 B 229 A 272 LEU B 183 LEU^? 17.78 O1 SO4 B 229 A 276 ARG B 70 ARG^? 17.55 O1 SO4 B 229 coo 16.45 -2.42 17.59 14.58 -2.74 16.47 -1.56 0.14 109.19 -1.19 1.49 110.94 coo 10.97 0.43 16.73 11.31 2.11 18.06 2.66 5.32 112.63 4.77 5.52 113.23 coo 5.13 -4.12 13.47 2.16 -3.72 14.17 4.92 7.16 103.42 6.42 4.45 103.73 ULMN 3 1emh_d00 HYDROLASE/DNA user 11 3 # 11 A 271 PRO B 198 PRO^? 24.67 O3 SO4 A 231 A 272 LEU B 202 LEU^? 23.96 O1 SO4 B 229 A 276 ARG B 204 ARG^? 28.80 O1 SO4 B 229 coo 16.45 -2.42 17.59 14.58 -2.74 16.47 18.39 15.47 87.25 17.96 14.57 89.27 coo 10.97 0.43 16.73 11.31 2.11 18.06 20.04 17.72 94.27 20.81 19.69 94.80 coo 5.13 -4.12 13.47 2.16 -3.72 14.17 22.06 9.76 97.61 23.97 10.05 95.18 1emh_d00 source 1emh HYDROLASE/DNA : 11 hits 1emh_d00 naa= 3 ULMN 3 1hwt_d00 GENE REGULATION/DNA user 1 3 # 1 C 70 ARG A 102 ARG^? 26.30 O1 SO4 A 229 C 71 LYS A 150 LYS^? 27.89 O1 SO4 A 229 C 72 VAL A 149 VAL^? 24.53 O4 SO4 A 229 coo 23.89 33.54 29.21 26.59 34.86 28.68 20.87 56.76 118.88 22.55 56.51 116.31 coo 25.82 26.89 29.68 23.33 22.98 25.84 22.85 50.51 120.58 24.66 47.59 122.80 coo 28.86 29.08 30.37 28.04 31.02 29.93 19.22 51.76 120.22 17.70 50.96 121.61 ULMN 3 1hwt_d00 GENE REGULATION/DNA user 2 3 # 2 C 70 ARG A 111 ARG^? 23.82 O1 SO4 A 229 C 71 LYS A 110 LYS^? 28.35 O1 SO4 A 229 C 72 VAL A 109 VAL^? 24.67 O1 SO4 A 229 coo 23.89 33.54 29.21 26.59 34.86 28.68 27.79 53.22 110.53 27.99 50.20 111.12 coo 25.82 26.89 29.68 23.33 22.98 25.84 25.55 58.06 108.35 29.49 58.97 105.77 coo 28.86 29.08 30.37 28.04 31.02 29.93 22.52 59.94 109.62 20.60 58.90 109.34 ULMN 3 1hwt_d00 GENE REGULATION/DNA user 3 3 # 3 C 70 ARG A 111 ARG^? 23.82 O1 SO4 A 229 C 71 LYS A 110 LYS^? 28.35 O1 SO4 A 229 C 72 VAL A 134 VAL^? 23.32 O1 SO4 A 229 coo 23.89 33.54 29.21 26.59 34.86 28.68 27.79 53.22 110.53 27.99 50.20 111.12 coo 25.82 26.89 29.68 23.33 22.98 25.84 25.55 58.06 108.35 29.49 58.97 105.77 coo 28.86 29.08 30.37 28.04 31.02 29.93 25.35 56.94 103.79 23.35 57.52 104.57 ULMN 3 1hwt_d00 GENE REGULATION/DNA user 4 3 # 4 C 70 ARG A 147 ARG^? 22.82 O1 SO4 A 229 C 71 LYS A 150 LYS^? 27.89 O1 SO4 A 229 C 72 VAL A 149 VAL^? 24.53 O4 SO4 A 229 coo 23.89 33.54 29.21 26.59 34.86 28.68 24.36 47.03 115.74 26.68 46.87 113.69 coo 25.82 26.89 29.68 23.33 22.98 25.84 22.85 50.51 120.58 24.66 47.59 122.80 coo 28.86 29.08 30.37 28.04 31.02 29.93 19.22 51.76 120.22 17.70 50.96 121.61 ULMN 3 1hwt_d00 GENE REGULATION/DNA user 5 3 # 5 C 70 ARG B 102 ARG^? 29.89 O3 SO4 B 229 C 71 LYS B 150 LYS^? 31.23 O3 SO4 B 229 C 72 VAL B 149 VAL^? 30.08 O3 SO4 B 229 coo 23.89 33.54 29.21 26.59 34.86 28.68 -18.79 9.83 130.39 -20.19 10.03 127.65 coo 25.82 26.89 29.68 23.33 22.98 25.84 -21.61 16.08 130.79 -22.65 22.25 130.12 coo 28.86 29.08 30.37 28.04 31.02 29.93 -17.98 14.83 131.07 -16.57 15.71 132.52 ULMN 3 1hwt_d00 GENE REGULATION/DNA user 6 3 # 6 C 70 ARG B 111 ARG^? 27.08 O3 SO4 B 229 C 71 LYS B 110 LYS^? 32.96 O3 SO4 B 229 C 72 VAL B 134 VAL^? 22.89 O2 SO4 B 229 coo 23.89 33.54 29.21 26.59 34.86 28.68 -24.28 12.69 119.80 -25.14 15.67 120.10 coo 25.82 26.89 29.68 23.33 22.98 25.84 -21.89 7.24 119.36 -25.62 3.73 122.06 coo 28.86 29.08 30.37 28.04 31.02 29.93 -20.72 7.99 114.34 -18.68 8.51 115.06 ULMN 3 1hwt_d00 GENE REGULATION/DNA user 7 3 # 7 C 70 ARG B 147 ARG^? 25.99 O3 SO4 B 229 C 71 LYS B 150 LYS^? 31.23 O3 SO4 B 229 C 72 VAL B 149 VAL^? 30.08 O3 SO4 B 229 coo 23.89 33.54 29.21 26.59 34.86 28.68 -21.61 19.82 125.35 -22.38 21.70 123.03 coo 25.82 26.89 29.68 23.33 22.98 25.84 -21.61 16.08 130.79 -22.65 22.25 130.12 coo 28.86 29.08 30.37 28.04 31.02 29.93 -17.98 14.83 131.07 -16.57 15.71 132.52 1hwt_d00 source 1hwt GENE REGULATION/DNA : 7 hits 1hwt_d00 naa= 3 ULMN 3 1id3_d00 STRUCTURAL PROTEIN/DNA user 1 3 # 1 E 40 ARG A 54 ARG^? -2.64 O2 SO4 A 229s E 41 TYR A 63 TYR^? 12.02 O3 SO4 A 229 E 83 ARG B 102 ARG^? 29.89 O3 SO4 B 229 coo 41.16 -25.11 -82.73 40.81 -22.13 -82.13 5.30 36.31 96.12 6.03 38.74 97.87 coo 40.04 -30.19 -77.46 41.62 -32.14 -76.20 4.07 31.35 91.04 5.31 30.23 93.28 coo 33.18 -0.85 -38.14 36.12 -0.03 -38.44 -18.79 9.83 130.39 -20.19 10.03 127.65 1id3_d00 source 1id3 STRUCTURAL PROTEIN/DNA : 1 hits 1id3_d00 naa= 3 ULMN 4 1mnm_d00 TRANSCRIPTION/DNA user 1 4 # 1 A 19 ARG A 102 ARG^? 26.30 O1 SO4 A 229 A 30 THR A 125 THR^? 15.07 O1 SO4 A 229 A 34 VAL A 112 VAL^? 19.00 O1 SO4 A 229 A 38 LYS A 110 LYS^? 28.35 O1 SO4 A 229 coo 30.09 31.19 5.41 30.53 28.24 4.72 20.87 56.76 118.88 22.55 56.51 116.31 coo 19.67 42.24 -1.18 20.37 41.83 -3.18 16.35 53.57 101.15 17.42 52.35 102.62 coo 18.16 36.88 2.14 19.60 35.97 0.73 21.31 52.81 107.66 21.00 53.95 105.83 coo 16.75 32.35 6.21 21.42 30.93 2.22 25.55 58.06 108.35 29.49 58.97 105.77 1mnm_d00 source 1mnm TRANSCRIPTION/DNA : 1 hits 1mnm_d00 naa= 4 ULMN 3 1r4i_d00 TRANSCRIPTION/DNA user 1 3 # 1 A 563 LYS A 110 LYS^? 28.35 O1 SO4 A 229 A 564 VAL A 134 VAL^? 23.32 O1 SO4 A 229 A 568 ARG A 136 ARG^? 18.26 O1 SO4 A 229 coo -6.60 80.79 55.64 -8.55 79.48 61.01 25.55 58.06 108.35 29.49 58.97 105.77 coo -9.25 78.14 55.31 -11.11 77.94 56.39 25.35 56.94 103.79 23.35 57.52 104.57 coo -12.31 74.86 52.32 -13.99 74.91 54.92 23.23 51.88 101.29 21.27 53.39 99.53 ULMN 3 1r4i_d00 TRANSCRIPTION/DNA user 2 3 # 2 A 563 LYS B 110 LYS^? 32.96 O3 SO4 B 229 A 564 VAL B 134 VAL^? 22.89 O2 SO4 B 229 A 568 ARG B 136 ARG^? 16.25 O2 SO4 B 229 coo -6.60 80.79 55.64 -8.55 79.48 61.01 -21.89 7.24 119.36 -25.62 3.73 122.06 coo -9.25 78.14 55.31 -11.11 77.94 56.39 -20.72 7.99 114.34 -18.68 8.51 115.06 coo -12.31 74.86 52.32 -13.99 74.91 54.92 -18.31 12.65 112.04 -15.83 11.94 110.39 1r4i_d00 source 1r4i TRANSCRIPTION/DNA : 2 hits 1r4i_d00 naa= 3 ULMN 3 1xpx_d00 TRANSCRIPTION REGULATION/DNA user 1 3 # 1 A1290 LYS A 110 LYS^? 28.35 O1 SO4 A 229 A1294 ASN A 108 ASN^? 31.71 O1 SO4 A 229 A1297 GLU A 105 GLU^? 30.13 O4 SO4 A 229 coo 39.24 18.84-161.99 36.62 21.47-165.99 25.55 58.06 108.35 29.49 58.97 105.77 coo 33.53 17.37-161.81 34.31 17.81-163.76 23.42 63.46 112.90 25.40 64.20 113.21 coo 29.78 23.31-161.30 31.23 23.66-162.84 20.63 62.21 117.15 22.45 61.29 117.66 ULMN 3 1xpx_d00 TRANSCRIPTION REGULATION/DNA user 2 3 # 2 A1290 LYS B 110 LYS^? 32.96 O3 SO4 B 229 A1294 ASN B 108 ASN^? 33.72 O3 SO4 B 229 A1297 GLU B 105 GLU^? 33.36 O3 SO4 B 229 coo 39.24 18.84-161.99 36.62 21.47-165.99 -21.89 7.24 119.36 -25.62 3.73 122.06 coo 33.53 17.37-161.81 34.31 17.81-163.76 -21.52 1.86 123.78 -22.21 -0.15 123.44 coo 29.78 23.31-161.30 31.23 23.66-162.84 -18.43 5.03 129.05 -20.50 4.52 128.90 1xpx_d00 source 1xpx TRANSCRIPTION REGULATION/DNA : 2 hits 1xpx_d00 naa= 3 ULMN 4 2bgw_d00 HYDROLASE user 1 4 # 1 A 86 ALA B 185 ALA^? 10.94 O1 SO4 B 229 A 87 GLU B 187 GLU^? 15.82 O1 SO4 B 229 A 123 TYR B 93 TYR^? -6.26 O1 SO4 B 229s A 182 ARG B 70 ARG^? 17.55 O1 SO4 B 229 coo 33.66 63.14 16.62 34.95 63.46 15.91 0.02 10.85 109.56 -1.39 10.88 110.17 coo 28.97 64.99 12.92 27.92 64.06 11.28 5.79 8.67 109.77 5.71 6.74 108.88 coo 38.40 63.73 13.00 38.79 62.53 10.47 3.42 16.10 108.71 2.04 17.62 106.85 coo 29.35 67.59 19.60 30.93 68.47 17.09 4.92 7.16 103.42 6.42 4.45 103.73 ULMN 4 2bgw_d00 HYDROLASE user 2 4 # 2 A 86 ALA B 188 ALA^? 10.65 O1 SO4 B 229 A 87 GLU B 187 GLU^? 15.82 O1 SO4 B 229 A 123 TYR B 93 TYR^? -6.26 O1 SO4 B 229s A 182 ARG B 70 ARG^? 17.55 O1 SO4 B 229 coo 33.66 63.14 16.62 34.95 63.46 15.91 6.79 14.17 107.25 7.50 15.38 107.84 coo 28.97 64.99 12.92 27.92 64.06 11.28 5.79 8.67 109.77 5.71 6.74 108.88 coo 38.40 63.73 13.00 38.79 62.53 10.47 3.42 16.10 108.71 2.04 17.62 106.85 coo 29.35 67.59 19.60 30.93 68.47 17.09 4.92 7.16 103.42 6.42 4.45 103.73 2bgw_d00 source 2bgw HYDROLASE : 2 hits 2bgw_d00 naa= 4 ULMN 3 2bsq_d00 TRANSCRIPTION user 1 3 # 1 E 3 SER A 32 SER^? 6.95 O3 SO4 A 230 E 5 VAL A 219 VAL^? 9.14 O3 SO4 A 230 E 7 ARG A 25 ARG^? 13.42 O3 SO4 A 230 coo -3.82 -25.91 35.53 -5.28 -27.06 37.10 -9.65 37.25 100.15 -11.63 37.02 101.57 coo -8.42 -21.09 33.22 -10.34 -21.69 33.92 -12.24 42.08 105.88 -11.17 40.38 104.96 coo -12.01 -17.19 33.96 -11.18 -17.21 36.88 -8.12 40.98 109.71 -10.75 39.35 109.96 ULMN 3 2bsq_d00 TRANSCRIPTION user 2 3 # 2 E 3 SER A 32 SER^? 6.95 O3 SO4 A 230 E 5 VAL A 219 VAL^? 9.14 O3 SO4 A 230 E 7 ARG A 218 ARG^? -3.99 O3 SO4 A 230s coo -3.82 -25.91 35.53 -5.28 -27.06 37.10 -9.65 37.25 100.15 -11.63 37.02 101.57 coo -8.42 -21.09 33.22 -10.34 -21.69 33.92 -12.24 42.08 105.88 -11.17 40.38 104.96 coo -12.01 -17.19 33.96 -11.18 -17.21 36.88 -18.37 44.02 103.00 -17.96 43.09 100.10 ULMN 3 2bsq_d00 TRANSCRIPTION user 3 3 # 3 E 3 SER A 69 SER^? 7.95 O2 SO4 A 229 E 5 VAL A 67 VAL^? 8.28 O2 SO4 A 229 E 7 ARG A 54 ARG^? -2.64 O2 SO4 A 229s coo -3.82 -25.91 35.53 -5.28 -27.06 37.10 3.96 46.55 95.52 6.09 47.55 96.26 coo -8.42 -21.09 33.22 -10.34 -21.69 33.92 1.49 40.08 93.94 -0.37 40.23 95.14 coo -12.01 -17.19 33.96 -11.18 -17.21 36.88 5.30 36.31 96.12 6.03 38.74 97.87 ULMN 3 2bsq_d00 TRANSCRIPTION user 4 3 # 4 E 3 SER A 144 SER^? 15.12 O1 SO4 A 229 E 5 VAL A 112 VAL^? 19.00 O1 SO4 A 229 E 7 ARG A 111 ARG^? 23.82 O1 SO4 A 229 coo -3.82 -25.91 35.53 -5.28 -27.06 37.10 18.44 47.73 113.02 18.01 47.36 110.65 coo -8.42 -21.09 33.22 -10.34 -21.69 33.92 21.31 52.81 107.66 21.00 53.95 105.83 coo -12.01 -17.19 33.96 -11.18 -17.21 36.88 27.79 53.22 110.53 27.99 50.20 111.12 ULMN 3 2bsq_d00 TRANSCRIPTION user 5 3 # 5 E 3 SER A 144 SER^? 15.12 O1 SO4 A 229 E 5 VAL A 112 VAL^? 19.00 O1 SO4 A 229 E 7 ARG A 136 ARG^? 18.26 O1 SO4 A 229 coo -3.82 -25.91 35.53 -5.28 -27.06 37.10 18.44 47.73 113.02 18.01 47.36 110.65 coo -8.42 -21.09 33.22 -10.34 -21.69 33.92 21.31 52.81 107.66 21.00 53.95 105.83 coo -12.01 -17.19 33.96 -11.18 -17.21 36.88 23.23 51.88 101.29 21.27 53.39 99.53 ULMN 3 2bsq_d00 TRANSCRIPTION user 6 3 # 6 E 3 SER A 144 SER^? 15.12 O1 SO4 A 229 E 5 VAL A 137 VAL^? 18.90 O1 SO4 A 229 E 7 ARG A 136 ARG^? 18.26 O1 SO4 A 229 coo -3.82 -25.91 35.53 -5.28 -27.06 37.10 18.44 47.73 113.02 18.01 47.36 110.65 coo -8.42 -21.09 33.22 -10.34 -21.69 33.92 24.27 47.72 106.85 25.19 48.18 108.78 coo -12.01 -17.19 33.96 -11.18 -17.21 36.88 23.23 51.88 101.29 21.27 53.39 99.53 ULMN 3 2bsq_d00 TRANSCRIPTION user 7 3 # 7 E 3 SER A 144 SER^? 15.12 O1 SO4 A 229 E 5 VAL A 149 VAL^? 24.53 O4 SO4 A 229 E 7 ARG A 102 ARG^? 26.30 O1 SO4 A 229 coo -3.82 -25.91 35.53 -5.28 -27.06 37.10 18.44 47.73 113.02 18.01 47.36 110.65 coo -8.42 -21.09 33.22 -10.34 -21.69 33.92 19.22 51.76 120.22 17.70 50.96 121.61 coo -12.01 -17.19 33.96 -11.18 -17.21 36.88 20.87 56.76 118.88 22.55 56.51 116.31 ULMN 3 2bsq_d00 TRANSCRIPTION user 8 3 # 8 E 3 SER A 144 SER^? 15.12 O1 SO4 A 229 E 5 VAL A 153 VAL^? 21.47 O1 SO4 A 229 E 7 ARG A 111 ARG^? 23.82 O1 SO4 A 229 coo -3.82 -25.91 35.53 -5.28 -27.06 37.10 18.44 47.73 113.02 18.01 47.36 110.65 coo -8.42 -21.09 33.22 -10.34 -21.69 33.92 23.41 52.24 113.11 22.73 50.56 111.90 coo -12.01 -17.19 33.96 -11.18 -17.21 36.88 27.79 53.22 110.53 27.99 50.20 111.12 ULMN 3 2bsq_d00 TRANSCRIPTION user 9 3 # 9 E 3 SER B 32 SER^? 18.05 O1 SO4 B 229 E 5 VAL B 219 VAL^? 18.78 O3 SO4 B 229 E 7 ARG B 25 ARG^? 18.98 O3 SO4 B 229 coo -3.82 -25.91 35.53 -5.28 -27.06 37.10 14.02 25.45 109.10 14.28 25.64 111.53 coo -8.42 -21.09 33.22 -10.34 -21.69 33.92 13.12 24.44 117.29 12.66 25.32 115.29 coo -12.01 -17.19 33.96 -11.18 -17.21 36.88 7.91 26.52 118.07 7.56 27.20 121.14 ULMN 3 2bsq_d00 TRANSCRIPTION user 10 3 # 10 E 3 SER B 32 SER^? 18.05 O1 SO4 B 229 E 5 VAL B 219 VAL^? 18.78 O3 SO4 B 229 E 7 ARG B 218 ARG^? 24.95 O1 SO4 B 229 coo -3.82 -25.91 35.53 -5.28 -27.06 37.10 14.02 25.45 109.10 14.28 25.64 111.53 coo -8.42 -21.09 33.22 -10.34 -21.69 33.92 13.12 24.44 117.29 12.66 25.32 115.29 coo -12.01 -17.19 33.96 -11.18 -17.21 36.88 19.88 22.79 118.45 20.69 21.06 116.02 ULMN 3 2bsq_d00 TRANSCRIPTION user 11 3 # 11 E 3 SER B 144 SER^? 19.71 O3 SO4 B 229 E 5 VAL B 112 VAL^? 20.55 O3 SO4 B 229 E 7 ARG B 111 ARG^? 27.08 O3 SO4 B 229 coo -3.82 -25.91 35.53 -5.28 -27.06 37.10 -15.61 18.40 123.69 -14.86 18.39 121.37 coo -8.42 -21.09 33.22 -10.34 -21.69 33.92 -17.66 12.40 118.63 -16.12 11.88 117.09 coo -12.01 -17.19 33.96 -11.18 -17.21 36.88 -24.28 12.69 119.80 -25.14 15.67 120.10 ULMN 3 2bsq_d00 TRANSCRIPTION user 12 3 # 12 E 3 SER B 144 SER^? 19.71 O3 SO4 B 229 E 5 VAL B 112 VAL^? 20.55 O3 SO4 B 229 E 7 ARG B 136 ARG^? 16.25 O2 SO4 B 229 coo -3.82 -25.91 35.53 -5.28 -27.06 37.10 -15.61 18.40 123.69 -14.86 18.39 121.37 coo -8.42 -21.09 33.22 -10.34 -21.69 33.92 -17.66 12.40 118.63 -16.12 11.88 117.09 coo -12.01 -17.19 33.96 -11.18 -17.21 36.88 -18.31 12.65 112.04 -15.83 11.94 110.39 ULMN 3 2bsq_d00 TRANSCRIPTION user 13 3 # 13 E 3 SER B 144 SER^? 19.71 O3 SO4 B 229 E 5 VAL B 137 VAL^? 22.09 O3 SO4 B 229 E 7 ARG B 111 ARG^? 27.08 O3 SO4 B 229 coo -3.82 -25.91 35.53 -5.28 -27.06 37.10 -15.61 18.40 123.69 -14.86 18.39 121.37 coo -8.42 -21.09 33.22 -10.34 -21.69 33.92 -20.42 17.41 116.79 -21.68 17.34 118.60 coo -12.01 -17.19 33.96 -11.18 -17.21 36.88 -24.28 12.69 119.80 -25.14 15.67 120.10 ULMN 3 2bsq_d00 TRANSCRIPTION user 14 3 # 14 E 3 SER B 144 SER^? 19.71 O3 SO4 B 229 E 5 VAL B 137 VAL^? 22.09 O3 SO4 B 229 E 7 ARG B 136 ARG^? 16.25 O2 SO4 B 229 coo -3.82 -25.91 35.53 -5.28 -27.06 37.10 -15.61 18.40 123.69 -14.86 18.39 121.37 coo -8.42 -21.09 33.22 -10.34 -21.69 33.92 -20.42 17.41 116.79 -21.68 17.34 118.60 coo -12.01 -17.19 33.96 -11.18 -17.21 36.88 -18.31 12.65 112.04 -15.83 11.94 110.39 ULMN 3 2bsq_d00 TRANSCRIPTION user 15 3 # 15 E 3 SER B 144 SER^? 19.71 O3 SO4 B 229 E 5 VAL B 149 VAL^? 30.08 O3 SO4 B 229 E 7 ARG B 102 ARG^? 29.89 O3 SO4 B 229 coo -3.82 -25.91 35.53 -5.28 -27.06 37.10 -15.61 18.40 123.69 -14.86 18.39 121.37 coo -8.42 -21.09 33.22 -10.34 -21.69 33.92 -17.98 14.83 131.07 -16.57 15.71 132.52 coo -12.01 -17.19 33.96 -11.18 -17.21 36.88 -18.79 9.83 130.39 -20.19 10.03 127.65 ULMN 3 2bsq_d00 TRANSCRIPTION user 16 3 # 16 E 3 SER B 144 SER^? 19.71 O3 SO4 B 229 E 5 VAL B 153 VAL^? 25.18 O3 SO4 B 229 E 7 ARG B 111 ARG^? 27.08 O3 SO4 B 229 coo -3.82 -25.91 35.53 -5.28 -27.06 37.10 -15.61 18.40 123.69 -14.86 18.39 121.37 coo -8.42 -21.09 33.22 -10.34 -21.69 33.92 -20.60 13.65 123.61 -19.64 15.09 122.27 coo -12.01 -17.19 33.96 -11.18 -17.21 36.88 -24.28 12.69 119.80 -25.14 15.67 120.10 2bsq_d00 source 2bsq TRANSCRIPTION : 16 hits 2bsq_d00 naa= 3 ULMN 4 2c7a_d00 RECEPTOR/DNA user 1 4 # 1 B 588 LYS A 110 LYS^? 28.35 O1 SO4 A 229 B 589 VAL A 134 VAL^? 23.32 O1 SO4 A 229 B 593 ARG A 136 ARG^? 18.26 O1 SO4 A 229 B 637 ARG A 102 ARG^? 26.30 O1 SO4 A 229 coo 15.04 42.21 35.01 15.60 47.38 33.10 25.55 58.06 108.35 29.49 58.97 105.77 coo 16.13 44.67 37.72 14.94 46.37 38.42 25.35 56.94 103.79 23.35 57.52 104.57 coo 17.98 46.28 41.95 15.61 48.20 41.79 23.23 51.88 101.29 21.27 53.39 99.53 coo 20.10 48.80 24.99 18.70 47.38 22.62 20.87 56.76 118.88 22.55 56.51 116.31 2c7a_d00 source 2c7a RECEPTOR/DNA : 1 hits 2c7a_d00 naa= 4 ULMN 3 3gxq_d00 DNA BINDING PROTEIN/DNA user 1 3 # 1 A 18 SER A 227 SER^? 9.64 O2 SO4 A 230 A 20 HIS A 215 HIS^? -3.69 O3 SO4 A 230s A 22 LEU A 212 LEU^? 7.27 O1 SO4 A 230 coo -2.78 -5.11 11.04 -4.18 -3.84 9.51 -11.19 33.23 102.79 -12.58 31.68 101.59 coo -8.47 -0.77 9.86 -9.21 0.76 8.62 -13.92 40.67 99.66 -13.69 38.69 100.32 coo -14.55 2.62 13.63 -14.94 2.66 11.50 -11.13 43.43 94.20 -9.04 42.92 94.57 ULMN 3 3gxq_d00 DNA BINDING PROTEIN/DNA user 2 3 # 2 A 18 SER A 227 SER^? 9.64 O2 SO4 A 230 A 20 HIS A 215 HIS^? -3.69 O3 SO4 A 230s A 22 LEU A 213 LEU^? 10.20 O1 SO4 A 230 coo -2.78 -5.11 11.04 -4.18 -3.84 9.51 -11.19 33.23 102.79 -12.58 31.68 101.59 coo -8.47 -0.77 9.86 -9.21 0.76 8.62 -13.92 40.67 99.66 -13.69 38.69 100.32 coo -14.55 2.62 13.63 -14.94 2.66 11.50 -11.38 48.22 96.57 -9.51 48.67 95.34 ULMN 3 3gxq_d00 DNA BINDING PROTEIN/DNA user 3 3 # 3 A 18 SER B 227 SER^? 13.75 O1 SO4 A 229 A 20 HIS B 215 HIS^? 20.82 O1 SO4 B 229 A 22 LEU B 212 LEU^? 18.16 O1 SO4 B 229 coo -2.78 -5.11 11.04 -4.18 -3.84 9.51 14.71 30.25 109.72 16.59 31.22 108.47 coo -8.47 -0.77 9.86 -9.21 0.76 8.62 17.61 22.77 112.56 17.48 24.80 112.05 coo -14.55 2.62 13.63 -14.94 2.66 11.50 17.06 17.33 109.13 15.10 17.56 108.10 ULMN 3 3gxq_d00 DNA BINDING PROTEIN/DNA user 4 3 # 4 A 18 SER B 227 SER^? 13.75 O1 SO4 A 229 A 20 HIS B 215 HIS^? 20.82 O1 SO4 B 229 A 22 LEU B 213 LEU^? 19.47 O1 SO4 B 229 coo -2.78 -5.11 11.04 -4.18 -3.84 9.51 14.71 30.25 109.72 16.59 31.22 108.47 coo -8.47 -0.77 9.86 -9.21 0.76 8.62 17.61 22.77 112.56 17.48 24.80 112.05 coo -14.55 2.62 13.63 -14.94 2.66 11.50 15.69 14.58 113.31 14.33 13.14 112.33 3gxq_d00 source 3gxq DNA BINDING PROTEIN/DNA : 4 hits 3gxq_d00 naa= 3 ULMN 3 3s57_d00 OXIDOREDUCTASE/DNA user 1 3 # 1 A 101 VAL A 15 VAL^? 16.78 O2 SO4 A 230 A 102 PHE A 43 PHE^? 12.47 O2 SO4 A 230 A 169 CYH B 57 CYH^? 12.18 O4 SO4 B 229 coo -0.48 2.03 12.21 0.64 0.32 12.97 -4.52 29.69 88.37 -5.51 31.55 87.70 coo 0.51 5.20 15.97 0.26 4.09 18.50 -7.45 32.13 92.38 -5.84 34.37 92.77 coo 4.56 -7.03 18.26 5.32 -4.76 16.88 1.42 21.45 91.40 -0.02 23.70 92.33 ULMN 3 3s57_d00 OXIDOREDUCTASE/DNA user 2 3 # 2 A 101 VAL A 134 VAL^? 23.32 O1 SO4 A 229 A 102 PHE A 129 PHE^? 20.39 O1 SO4 A 229 A 169 CYH A 101 CYH^? 24.07 O4 SO4 A 229 coo -0.48 2.03 12.21 0.64 0.32 12.97 25.35 56.94 103.79 23.35 57.52 104.57 coo 0.51 5.20 15.97 0.26 4.09 18.50 19.36 57.64 103.06 18.23 57.40 105.63 coo 4.56 -7.03 18.26 5.32 -4.76 16.88 16.31 57.21 114.20 15.99 59.89 113.39 ULMN 3 3s57_d00 OXIDOREDUCTASE/DNA user 3 3 # 3 A 101 VAL B 15 VAL^? 17.99 O3 SO4 A 229 A 102 PHE B 43 PHE^? 16.09 O3 SO4 A 229 A 169 CYH A 57 CYH^? 11.87 O3 SO4 A 229 coo -0.48 2.03 12.21 0.64 0.32 12.97 15.07 24.75 94.45 15.81 22.84 95.36 coo 0.51 5.20 15.97 0.26 4.09 18.50 15.88 25.23 99.92 13.86 23.61 100.92 coo 4.56 -7.03 18.26 5.32 -4.76 16.88 9.42 32.30 89.74 9.90 31.16 92.16 ULMN 3 3s57_d00 OXIDOREDUCTASE/DNA user 4 3 # 4 A 101 VAL B 134 VAL^? 22.89 O2 SO4 B 229 A 102 PHE B 129 PHE^? 20.67 O3 SO4 B 229 A 169 CYH B 101 CYH^? 26.55 O3 SO4 B 229 coo -0.48 2.03 12.21 0.64 0.32 12.97 -20.72 7.99 114.34 -18.68 8.51 115.06 coo 0.51 5.20 15.97 0.26 4.09 18.50 -14.90 7.32 114.49 -14.69 7.85 117.24 coo 4.56 -7.03 18.26 5.32 -4.76 16.88 -13.61 9.02 126.06 -13.33 6.29 125.42 3s57_d00 source 3s57 OXIDOREDUCTASE/DNA : 4 hits 3s57_d00 naa= 3 ULMN 3 3ssc_d00 DNA BINDING PROTEIN/DNA user 1 3 # 1 A 21 GLN A 79 GLN^? 9.42 O1 SO4 A 231 A 41 TYR A 76 TYR^? 9.48 O2 SO4 A 229 A 43 ASN A 80 ASN^? -4.91 O3 SO4 A 231s coo 22.03 6.35 12.16 20.71 6.08 10.54 15.73 45.86 86.66 17.53 46.81 85.86 coo 18.67 0.21 9.03 16.70 -1.66 8.55 10.27 43.52 89.91 10.78 42.74 92.53 coo 14.90 7.30 8.78 14.25 8.14 6.97 11.97 41.28 84.18 13.37 41.01 85.80 ULMN 3 3ssc_d00 DNA BINDING PROTEIN/DNA user 2 3 # 2 A 21 GLN A 121 GLN^? 10.69 O1 SO4 A 229 A 41 TYR A 141 TYR^? 9.25 O4 SO4 A 229 A 43 ASN A 159 ASN^? 10.67 O4 SO4 A 229 coo 22.03 6.35 12.16 20.71 6.08 10.54 13.91 48.83 104.21 14.64 47.67 105.81 coo 18.67 0.21 9.03 16.70 -1.66 8.55 12.91 44.78 109.54 12.66 42.85 107.55 coo 14.90 7.30 8.78 14.25 8.14 6.97 5.71 49.12 108.69 6.11 47.57 110.12 ULMN 3 3ssc_d00 DNA BINDING PROTEIN/DNA user 3 3 # 3 A 21 GLN B 121 GLN^? 14.05 O3 SO4 B 229 A 41 TYR B 141 TYR^? 18.84 O3 SO4 B 229 A 43 ASN B 159 ASN^? 12.45 O3 SO4 B 229 coo 22.03 6.35 12.16 20.71 6.08 10.54 -9.72 16.47 115.76 -11.08 17.68 116.85 coo 18.67 0.21 9.03 16.70 -1.66 8.55 -9.09 19.42 122.99 -7.89 17.76 124.89 coo 14.90 7.30 8.78 14.25 8.14 6.97 -2.29 16.97 120.14 -2.10 17.25 118.07 3ssc_d00 source 3ssc DNA BINDING PROTEIN/DNA : 3 hits 3ssc_d00 naa= 3 ULMN 4 3vd0_d00 ANTITUMOR PROTEIN/DNA user 1 4 # 1 L 138 LYS A 103 LYS^? 33.05 O4 SO4 A 229 L 296 ALA A 155 ALA^? 20.68 O1 SO4 A 229 L 297 CYH A 101 CYH^? 24.07 O4 SO4 A 229 L 300 ARG A 102 ARG^? 26.30 O1 SO4 A 229 coo 16.45 2.97 55.88 16.21 5.41 61.69 15.68 61.42 119.02 17.27 63.89 123.18 coo 11.13 10.05 55.36 11.53 10.73 56.67 18.39 54.84 110.94 18.26 56.09 110.04 coo 12.37 6.49 55.61 13.66 7.75 57.69 16.31 57.21 114.20 15.99 59.89 113.39 coo 12.88 4.11 61.04 11.95 6.99 61.37 20.87 56.76 118.88 22.55 56.51 116.31 ULMN 4 3vd0_d00 ANTITUMOR PROTEIN/DNA user 2 4 # 2 L 138 LYS B 103 LYS^? 36.18 O3 SO4 B 229 L 296 ALA B 155 ALA^? 22.81 O3 SO4 B 229 L 297 CYH B 101 CYH^? 26.55 O3 SO4 B 229 L 300 ARG B 102 ARG^? 29.89 O3 SO4 B 229 coo 16.45 2.97 55.88 16.21 5.41 61.69 -13.76 5.50 131.39 -11.05 3.94 136.91 coo 11.13 10.05 55.36 11.53 10.73 56.67 -15.36 10.84 122.34 -14.99 9.63 121.49 coo 12.37 6.49 55.61 13.66 7.75 57.69 -13.61 9.02 126.06 -13.33 6.29 125.42 coo 12.88 4.11 61.04 11.95 6.99 61.37 -18.79 9.83 130.39 -20.19 10.03 127.65 3vd0_d00 source 3vd0 ANTITUMOR PROTEIN/DNA : 2 hits 3vd0_d00 naa= 4 ULMN 3 4er8_d00 DNA BINDING PROTEIN/DNA user 1 3 # 1 A 78 ARG B 111 ARG^? 27.08 O3 SO4 B 229 A 82 LYS B 110 LYS^? 32.96 O3 SO4 B 229 A 97 ARG B 147 ARG^? 25.99 O3 SO4 B 229 coo 16.80 -30.32 -16.38 19.04 -32.25 -17.14 -24.28 12.69 119.80 -25.14 15.67 120.10 coo 13.73 -24.92 -13.04 16.51 -30.06 -12.17 -21.89 7.24 119.36 -25.62 3.73 122.06 coo 12.19 -29.83 -26.51 14.22 -31.21 -28.36 -21.61 19.82 125.35 -22.38 21.70 123.03 4er8_d00 source 4er8 DNA BINDING PROTEIN/DNA : 1 hits 4er8_d00 naa= 3 ULMN 3 4hn5_d00 TRANSCRIPTION/DNA user 1 3 # 1 B 442 LYS A 110 LYS^? 28.35 O1 SO4 A 229 B 443 VAL A 134 VAL^? 23.32 O1 SO4 A 229 B 447 ARG A 136 ARG^? 18.26 O1 SO4 A 229 coo -11.49 8.72 29.13 -11.20 3.78 25.16 25.55 58.06 108.35 29.49 58.97 105.77 coo -11.96 6.22 31.96 -10.74 4.61 32.81 25.35 56.94 103.79 23.35 57.52 104.57 coo -14.58 4.58 36.41 -12.11 2.82 36.84 23.23 51.88 101.29 21.27 53.39 99.53 ULMN 3 4hn5_d00 TRANSCRIPTION/DNA user 2 3 # 2 B 442 LYS B 110 LYS^? 32.96 O3 SO4 B 229 B 443 VAL B 134 VAL^? 22.89 O2 SO4 B 229 B 447 ARG B 136 ARG^? 16.25 O2 SO4 B 229 coo -11.49 8.72 29.13 -11.20 3.78 25.16 -21.89 7.24 119.36 -25.62 3.73 122.06 coo -11.96 6.22 31.96 -10.74 4.61 32.81 -20.72 7.99 114.34 -18.68 8.51 115.06 coo -14.58 4.58 36.41 -12.11 2.82 36.84 -18.31 12.65 112.04 -15.83 11.94 110.39 4hn5_d00 source 4hn5 TRANSCRIPTION/DNA : 2 hits 4hn5_d00 naa= 3 ULMN 4 1e3w_o00 SHORT CHAIN 3-HYDROXYACYL-COA DEHYDRuser 1 4 # 1 A 41 ASP B 196 ASP^? 21.51 O1 SO4 B 229 A 64 ASN B 13 ASN^? 12.96 O3 SO4 A 231 A 168 TYR B 45 TYR^? 13.10 O4 SO4 B 229 A 172 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo 29.31 2.47 30.64 27.42 3.34 30.67 12.23 15.64 88.97 13.40 17.43 88.99 coo 28.76 0.05 39.20 27.05 1.09 39.77 17.39 25.10 87.74 16.85 26.71 86.40 coo 18.34 15.14 38.14 19.89 15.29 35.79 10.04 26.44 102.60 11.44 24.36 103.85 coo 23.68 18.08 40.55 24.55 14.70 36.44 16.47 24.53 104.57 15.75 30.78 103.34 1e3w_o00 source 1E3W SHORT CHAIN 3-HYDROXYACYL-COA DEHYDROGENASE : 1 hits 1e3w_o00 naa= 4 ULMN 4 1e3w_o01 SHORT CHAIN 3-HYDROXYACYL-COA DEHYDRuser 1 4 # 1 B 41 ASP B 196 ASP^? 21.51 O1 SO4 B 229 B 64 ASN B 13 ASN^? 12.96 O3 SO4 A 231 B 168 TYR B 45 TYR^? 13.10 O4 SO4 B 229 B 172 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo 19.32 16.82 68.75 21.27 17.38 68.21 12.23 15.64 88.97 13.40 17.43 88.99 coo 19.81 9.29 63.74 21.59 9.79 62.74 17.39 25.10 87.74 16.85 26.71 86.40 coo 30.76 21.17 55.02 29.25 22.88 56.57 10.04 26.44 102.60 11.44 24.36 103.85 coo 25.62 21.96 51.22 24.55 22.11 56.49 16.47 24.53 104.57 15.75 30.78 103.34 1e3w_o01 source 1E3W SHORT CHAIN 3-HYDROXYACYL-COA DEHYDROGENASE : 1 hits 1e3w_o01 naa= 4 ULMN 4 1e3w_o02 SHORT CHAIN 3-HYDROXYACYL-COA DEHYDRuser 1 4 # 1 C 41 ASP B 196 ASP^? 21.51 O1 SO4 B 229 C 64 ASN B 13 ASN^? 12.96 O3 SO4 A 231 C 168 TYR B 45 TYR^? 13.10 O4 SO4 B 229 C 172 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo 40.69 50.52 19.33 41.33 50.42 21.37 12.23 15.64 88.97 13.40 17.43 88.99 coo 34.72 56.95 21.18 34.76 56.91 23.30 17.39 25.10 87.74 16.85 26.71 86.40 coo 35.94 47.42 36.81 37.06 45.66 35.01 10.04 26.44 102.60 11.44 24.36 103.85 coo 30.46 44.57 34.70 34.50 45.03 31.11 16.47 24.53 104.57 15.75 30.78 103.34 1e3w_o02 source 1E3W SHORT CHAIN 3-HYDROXYACYL-COA DEHYDROGENASE : 1 hits 1e3w_o02 naa= 4 ULMN 4 1e3w_o03 SHORT CHAIN 3-HYDROXYACYL-COA DEHYDRuser 1 4 # 1 D 41 ASP B 196 ASP^? 21.51 O1 SO4 B 229 D 64 ASN B 13 ASN^? 12.96 O3 SO4 A 231 D 168 TYR B 45 TYR^? 13.10 O4 SO4 B 229 D 172 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo 9.77 60.85 45.83 9.14 59.48 44.33 12.23 15.64 88.97 13.40 17.43 88.99 coo 15.92 64.33 40.44 15.87 63.01 38.79 17.39 25.10 87.74 16.85 26.71 86.40 coo 14.20 46.99 34.69 13.14 46.88 37.21 10.04 26.44 102.60 11.44 24.36 103.85 coo 19.65 46.02 38.25 15.67 48.80 40.68 16.47 24.53 104.57 15.75 30.78 103.34 1e3w_o03 source 1E3W SHORT CHAIN 3-HYDROXYACYL-COA DEHYDROGENASE : 1 hits 1e3w_o03 naa= 4 ULMN 3 2odj_o00 PORIN D user 1 3 # 1 A 156 HIS A 91 HIS^? 17.38 O4 SO4 A 229 A 208 ASP A 120 ASP^? 7.17 O2 SO4 A 229 A 296 SER A 227 SER^? 9.64 O2 SO4 A 230 coo 12.72 17.48 24.71 12.80 19.37 23.81 -3.47 53.98 101.75 -2.43 55.80 101.90 coo 18.47 29.19 29.68 19.30 29.17 27.75 9.29 47.78 99.49 7.80 47.36 98.01 coo 6.89 17.22 46.63 5.08 16.21 47.91 -11.19 33.23 102.79 -12.58 31.68 101.59 ULMN 3 2odj_o00 PORIN D user 2 3 # 2 A 156 HIS A 91 HIS^? 17.38 O4 SO4 A 229 A 208 ASP A 179 ASP^? 20.51 O2 SO4 A 229 A 296 SER A 140 SER^? 13.33 O1 SO4 A 229 coo 12.72 17.48 24.71 12.80 19.37 23.81 -3.47 53.98 101.75 -2.43 55.80 101.90 coo 18.47 29.19 29.68 19.30 29.17 27.75 9.62 60.80 96.72 10.25 60.11 94.85 coo 6.89 17.22 46.63 5.08 16.21 47.91 16.67 42.99 109.88 16.46 41.74 111.93 ULMN 3 2odj_o00 PORIN D user 3 3 # 3 A 156 HIS A 97 HIS^? 10.66 O4 SO4 A 229 A 208 ASP A 115 ASP^? 8.58 O1 SO4 A 229 A 296 SER A 78 SER^? 10.12 O1 SO4 A 231 coo 12.72 17.48 24.71 12.80 19.37 23.81 7.24 52.04 104.47 6.71 50.18 103.67 coo 18.47 29.19 29.68 19.30 29.17 27.75 15.77 43.56 105.82 15.72 41.47 106.14 coo 6.89 17.22 46.63 5.08 16.21 47.91 12.91 48.15 83.79 13.99 48.67 85.93 ULMN 3 2odj_o00 PORIN D user 4 3 # 4 A 156 HIS A 97 HIS^? 10.66 O4 SO4 A 229 A 208 ASP A 178 ASP^? 26.16 O4 SO4 A 229 A 296 SER A 78 SER^? 10.12 O1 SO4 A 231 coo 12.72 17.48 24.71 12.80 19.37 23.81 7.24 52.04 104.47 6.71 50.18 103.67 coo 18.47 29.19 29.68 19.30 29.17 27.75 7.84 65.02 98.85 7.73 66.72 100.09 coo 6.89 17.22 46.63 5.08 16.21 47.91 12.91 48.15 83.79 13.99 48.67 85.93 ULMN 3 2odj_o00 PORIN D user 5 3 # 5 A 156 HIS B 91 HIS^? 17.45 O3 SO4 B 229 A 208 ASP B 120 ASP^? 8.68 O3 SO4 B 229 A 296 SER B 227 SER^? 13.75 O1 SO4 A 229 coo 12.72 17.48 24.71 12.80 19.37 23.81 5.92 11.10 116.67 5.40 9.21 117.42 coo 18.47 29.19 29.68 19.30 29.17 27.75 -4.32 17.92 112.37 -3.28 16.49 113.53 coo 6.89 17.22 46.63 5.08 16.21 47.91 14.71 30.25 109.72 16.59 31.22 108.47 ULMN 3 2odj_o00 PORIN D user 6 3 # 6 A 156 HIS B 91 HIS^? 17.45 O3 SO4 B 229 A 208 ASP B 178 ASP^? 25.38 O3 SO4 B 229 A 296 SER B 116 SER^? 14.92 O3 SO4 B 229 coo 12.72 17.48 24.71 12.80 19.37 23.81 5.92 11.10 116.67 5.40 9.21 117.42 coo 18.47 29.19 29.68 19.30 29.17 27.75 -4.63 -0.65 116.57 -5.43 -2.30 115.50 coo 6.89 17.22 46.63 5.08 16.21 47.91 -14.36 21.91 112.03 -15.99 23.77 112.13 ULMN 3 2odj_o00 PORIN D user 7 3 # 7 A 156 HIS B 91 HIS^? 17.45 O3 SO4 B 229 A 208 ASP B 178 ASP^? 25.38 O3 SO4 B 229 A 296 SER B 140 SER^? 18.74 O3 SO4 B 229 coo 12.72 17.48 24.71 12.80 19.37 23.81 5.92 11.10 116.67 5.40 9.21 117.42 coo 18.47 29.19 29.68 19.30 29.17 27.75 -4.63 -0.65 116.57 -5.43 -2.30 115.50 coo 6.89 17.22 46.63 5.08 16.21 47.91 -13.55 22.77 120.12 -12.47 24.15 121.85 ULMN 3 2odj_o00 PORIN D user 8 3 # 8 A 156 HIS B 91 HIS^? 17.45 O3 SO4 B 229 A 208 ASP B 178 ASP^? 25.38 O3 SO4 B 229 A 296 SER B 144 SER^? 19.71 O3 SO4 B 229 coo 12.72 17.48 24.71 12.80 19.37 23.81 5.92 11.10 116.67 5.40 9.21 117.42 coo 18.47 29.19 29.68 19.30 29.17 27.75 -4.63 -0.65 116.57 -5.43 -2.30 115.50 coo 6.89 17.22 46.63 5.08 16.21 47.91 -15.61 18.40 123.69 -14.86 18.39 121.37 ULMN 3 2odj_o00 PORIN D user 9 3 # 9 A 156 HIS B 91 HIS^? 17.45 O3 SO4 B 229 A 208 ASP B 179 ASP^? 19.53 O1 SO4 B 229 A 296 SER B 116 SER^? 14.92 O3 SO4 B 229 coo 12.72 17.48 24.71 12.80 19.37 23.81 5.92 11.10 116.67 5.40 9.21 117.42 coo 18.47 29.19 29.68 19.30 29.17 27.75 -5.05 2.01 112.29 -5.62 2.01 110.23 coo 6.89 17.22 46.63 5.08 16.21 47.91 -14.36 21.91 112.03 -15.99 23.77 112.13 ULMN 3 2odj_o00 PORIN D user 10 3 # 10 A 156 HIS B 91 HIS^? 17.45 O3 SO4 B 229 A 208 ASP B 179 ASP^? 19.53 O1 SO4 B 229 A 296 SER B 140 SER^? 18.74 O3 SO4 B 229 coo 12.72 17.48 24.71 12.80 19.37 23.81 5.92 11.10 116.67 5.40 9.21 117.42 coo 18.47 29.19 29.68 19.30 29.17 27.75 -5.05 2.01 112.29 -5.62 2.01 110.23 coo 6.89 17.22 46.63 5.08 16.21 47.91 -13.55 22.77 120.12 -12.47 24.15 121.85 ULMN 3 2odj_o00 PORIN D user 11 3 # 11 A 156 HIS B 91 HIS^? 17.45 O3 SO4 B 229 A 208 ASP B 179 ASP^? 19.53 O1 SO4 B 229 A 296 SER B 144 SER^? 19.71 O3 SO4 B 229 coo 12.72 17.48 24.71 12.80 19.37 23.81 5.92 11.10 116.67 5.40 9.21 117.42 coo 18.47 29.19 29.68 19.30 29.17 27.75 -5.05 2.01 112.29 -5.62 2.01 110.23 coo 6.89 17.22 46.63 5.08 16.21 47.91 -15.61 18.40 123.69 -14.86 18.39 121.37 2odj_o00 source 2ODJ PORIN D : 11 hits 2odj_o00 naa= 3 ULMN 3 2odj_o01 PORIN D user 1 3 # 1 B 156 HIS A 91 HIS^? 17.38 O4 SO4 A 229 B 208 ASP A 179 ASP^? 20.51 O2 SO4 A 229 B 296 SER A 140 SER^? 13.33 O1 SO4 A 229 coo -2.35 -7.60 76.02 -1.45 -9.49 76.24 -3.47 53.98 101.75 -2.43 55.80 101.90 coo -7.90 -19.74 71.88 -5.88 -19.94 71.25 9.62 60.80 96.72 10.25 60.11 94.85 coo -24.72 -6.64 81.21 -24.66 -4.26 81.67 16.67 42.99 109.88 16.46 41.74 111.93 ULMN 3 2odj_o01 PORIN D user 2 3 # 2 B 156 HIS A 97 HIS^? 10.66 O4 SO4 A 229 B 208 ASP A 115 ASP^? 8.58 O1 SO4 A 229 B 296 SER A 78 SER^? 10.12 O1 SO4 A 231 coo -2.35 -7.60 76.02 -1.45 -9.49 76.24 7.24 52.04 104.47 6.71 50.18 103.67 coo -7.90 -19.74 71.88 -5.88 -19.94 71.25 15.77 43.56 105.82 15.72 41.47 106.14 coo -24.72 -6.64 81.21 -24.66 -4.26 81.67 12.91 48.15 83.79 13.99 48.67 85.93 ULMN 3 2odj_o01 PORIN D user 3 3 # 3 B 156 HIS A 97 HIS^? 10.66 O4 SO4 A 229 B 208 ASP A 178 ASP^? 26.16 O4 SO4 A 229 B 296 SER A 78 SER^? 10.12 O1 SO4 A 231 coo -2.35 -7.60 76.02 -1.45 -9.49 76.24 7.24 52.04 104.47 6.71 50.18 103.67 coo -7.90 -19.74 71.88 -5.88 -19.94 71.25 7.84 65.02 98.85 7.73 66.72 100.09 coo -24.72 -6.64 81.21 -24.66 -4.26 81.67 12.91 48.15 83.79 13.99 48.67 85.93 ULMN 3 2odj_o01 PORIN D user 4 3 # 4 B 156 HIS B 91 HIS^? 17.45 O3 SO4 B 229 B 208 ASP B 120 ASP^? 8.68 O3 SO4 B 229 B 296 SER B 106 SER^? 29.18 O3 SO4 B 229 coo -2.35 -7.60 76.02 -1.45 -9.49 76.24 5.92 11.10 116.67 5.40 9.21 117.42 coo -7.90 -19.74 71.88 -5.88 -19.94 71.25 -4.32 17.92 112.37 -3.28 16.49 113.53 coo -24.72 -6.64 81.21 -24.66 -4.26 81.67 -14.89 3.19 124.25 -13.21 1.70 125.19 ULMN 3 2odj_o01 PORIN D user 5 3 # 5 B 156 HIS B 91 HIS^? 17.45 O3 SO4 B 229 B 208 ASP B 120 ASP^? 8.68 O3 SO4 B 229 B 296 SER B 227 SER^? 13.75 O1 SO4 A 229 coo -2.35 -7.60 76.02 -1.45 -9.49 76.24 5.92 11.10 116.67 5.40 9.21 117.42 coo -7.90 -19.74 71.88 -5.88 -19.94 71.25 -4.32 17.92 112.37 -3.28 16.49 113.53 coo -24.72 -6.64 81.21 -24.66 -4.26 81.67 14.71 30.25 109.72 16.59 31.22 108.47 ULMN 3 2odj_o01 PORIN D user 6 3 # 6 B 156 HIS B 91 HIS^? 17.45 O3 SO4 B 229 B 208 ASP B 178 ASP^? 25.38 O3 SO4 B 229 B 296 SER B 116 SER^? 14.92 O3 SO4 B 229 coo -2.35 -7.60 76.02 -1.45 -9.49 76.24 5.92 11.10 116.67 5.40 9.21 117.42 coo -7.90 -19.74 71.88 -5.88 -19.94 71.25 -4.63 -0.65 116.57 -5.43 -2.30 115.50 coo -24.72 -6.64 81.21 -24.66 -4.26 81.67 -14.36 21.91 112.03 -15.99 23.77 112.13 ULMN 3 2odj_o01 PORIN D user 7 3 # 7 B 156 HIS B 91 HIS^? 17.45 O3 SO4 B 229 B 208 ASP B 178 ASP^? 25.38 O3 SO4 B 229 B 296 SER B 144 SER^? 19.71 O3 SO4 B 229 coo -2.35 -7.60 76.02 -1.45 -9.49 76.24 5.92 11.10 116.67 5.40 9.21 117.42 coo -7.90 -19.74 71.88 -5.88 -19.94 71.25 -4.63 -0.65 116.57 -5.43 -2.30 115.50 coo -24.72 -6.64 81.21 -24.66 -4.26 81.67 -15.61 18.40 123.69 -14.86 18.39 121.37 ULMN 3 2odj_o01 PORIN D user 8 3 # 8 B 156 HIS B 91 HIS^? 17.45 O3 SO4 B 229 B 208 ASP B 179 ASP^? 19.53 O1 SO4 B 229 B 296 SER B 116 SER^? 14.92 O3 SO4 B 229 coo -2.35 -7.60 76.02 -1.45 -9.49 76.24 5.92 11.10 116.67 5.40 9.21 117.42 coo -7.90 -19.74 71.88 -5.88 -19.94 71.25 -5.05 2.01 112.29 -5.62 2.01 110.23 coo -24.72 -6.64 81.21 -24.66 -4.26 81.67 -14.36 21.91 112.03 -15.99 23.77 112.13 ULMN 3 2odj_o01 PORIN D user 9 3 # 9 B 156 HIS B 91 HIS^? 17.45 O3 SO4 B 229 B 208 ASP B 179 ASP^? 19.53 O1 SO4 B 229 B 296 SER B 140 SER^? 18.74 O3 SO4 B 229 coo -2.35 -7.60 76.02 -1.45 -9.49 76.24 5.92 11.10 116.67 5.40 9.21 117.42 coo -7.90 -19.74 71.88 -5.88 -19.94 71.25 -5.05 2.01 112.29 -5.62 2.01 110.23 coo -24.72 -6.64 81.21 -24.66 -4.26 81.67 -13.55 22.77 120.12 -12.47 24.15 121.85 ULMN 3 2odj_o01 PORIN D user 10 3 # 10 B 156 HIS B 91 HIS^? 17.45 O3 SO4 B 229 B 208 ASP B 179 ASP^? 19.53 O1 SO4 B 229 B 296 SER B 144 SER^? 19.71 O3 SO4 B 229 coo -2.35 -7.60 76.02 -1.45 -9.49 76.24 5.92 11.10 116.67 5.40 9.21 117.42 coo -7.90 -19.74 71.88 -5.88 -19.94 71.25 -5.05 2.01 112.29 -5.62 2.01 110.23 coo -24.72 -6.64 81.21 -24.66 -4.26 81.67 -15.61 18.40 123.69 -14.86 18.39 121.37 ULMN 3 2odj_o01 PORIN D user 11 3 # 11 B 156 HIS B 142 HIS^? 20.91 O3 SO4 B 229 B 208 ASP B 120 ASP^? 8.68 O3 SO4 B 229 B 296 SER B 106 SER^? 29.18 O3 SO4 B 229 coo -2.35 -7.60 76.02 -1.45 -9.49 76.24 -10.19 23.71 125.79 -8.10 23.78 126.04 coo -7.90 -19.74 71.88 -5.88 -19.94 71.25 -4.32 17.92 112.37 -3.28 16.49 113.53 coo -24.72 -6.64 81.21 -24.66 -4.26 81.67 -14.89 3.19 124.25 -13.21 1.70 125.19 ULMN 3 2odj_o01 PORIN D user 12 3 # 12 B 156 HIS B 142 HIS^? 20.91 O3 SO4 B 229 B 208 ASP B 138 ASP^? 17.24 O3 SO4 B 229 B 296 SER B 106 SER^? 29.18 O3 SO4 B 229 coo -2.35 -7.60 76.02 -1.45 -9.49 76.24 -10.19 23.71 125.79 -8.10 23.78 126.04 coo -7.90 -19.74 71.88 -5.88 -19.94 71.25 -19.34 21.74 114.74 -17.84 23.07 113.94 coo -24.72 -6.64 81.21 -24.66 -4.26 81.67 -14.89 3.19 124.25 -13.21 1.70 125.19 2odj_o01 source 2ODJ PORIN D : 12 hits 2odj_o01 naa= 3 ULMN 3 2r11_o01 CARBOXYLESTERASE NP user 1 3 # 1 B 130 SER B 106 SER^? 29.18 O3 SO4 B 229 B 166 PHE B 128 PHE^? 21.17 O3 SO4 B 229 B 182 PHE B 182 PHE^? 17.22 O3 SO4 B 229 coo -19.94 46.29 97.83 -22.38 46.56 97.60 -14.89 3.19 124.25 -13.21 1.70 125.19 coo -29.59 43.40 95.66 -28.22 45.54 94.50 -10.56 5.78 116.00 -10.83 4.09 118.25 coo -32.72 50.15 98.46 -30.32 48.85 97.77 -3.98 6.14 113.91 -6.77 6.04 114.27 2r11_o01 source 2R11 CARBOXYLESTERASE NP : 1 hits 2r11_o01 naa= 3 ULMN 3 2r11_o03 CARBOXYLESTERASE NP user 1 3 # 1 D 130 SER B 106 SER^? 29.18 O3 SO4 B 229 D 166 PHE B 128 PHE^? 21.17 O3 SO4 B 229 D 182 PHE B 182 PHE^? 17.22 O3 SO4 B 229 coo -32.42 55.27 46.18 -30.51 54.94 47.67 -14.89 3.19 124.25 -13.21 1.70 125.19 coo -23.62 58.20 50.84 -23.76 56.14 48.96 -10.56 5.78 116.00 -10.83 4.09 118.25 coo -23.08 51.44 54.96 -24.43 52.71 52.88 -3.98 6.14 113.91 -6.77 6.04 114.27 2r11_o03 source 2R11 CARBOXYLESTERASE NP : 1 hits 2r11_o03 naa= 3 ULMN 3 2wwt_o00 INTRACELLULAR SUBTILISIN PROTEASE user 1 3 # 1 A 49 ASP A 208 ASP^? 7.66 O1 SO4 A 230 A 86 HIS A 210 HIS^? 9.95 O1 SO4 A 230 A 250 ALA A 214 ALA^? 7.16 O1 SO4 A 230 coo 18.89 -28.09 25.11 19.05 -26.61 23.60 -15.69 43.98 89.75 -16.79 45.74 90.29 coo 21.50 -24.76 21.11 19.82 -23.58 21.50 -16.02 49.92 93.97 -17.27 50.59 95.51 coo 16.40 -19.57 19.82 17.00 -20.87 19.22 -14.84 46.79 99.08 -16.31 46.97 98.48 ULMN 3 2wwt_o00 INTRACELLULAR SUBTILISIN PROTEASE user 2 3 # 2 A 49 ASP B 120 ASP^? 8.68 O3 SO4 B 229 A 86 HIS B 97 HIS^? 12.49 O3 SO4 B 229 A 250 ALA B 185 ALA^? 10.94 O1 SO4 B 229 coo 18.89 -28.09 25.11 19.05 -26.61 23.60 -4.32 17.92 112.37 -3.28 16.49 113.53 coo 21.50 -24.76 21.11 19.82 -23.58 21.50 -3.31 12.76 116.75 -2.66 14.35 115.55 coo 16.40 -19.57 19.82 17.00 -20.87 19.22 0.02 10.85 109.56 -1.39 10.88 110.17 ULMN 3 2wwt_o00 INTRACELLULAR SUBTILISIN PROTEASE user 3 3 # 3 A 49 ASP B 208 ASP^? 25.58 O1 SO4 B 229 A 86 HIS B 210 HIS^? 25.92 O1 SO4 B 229 A 250 ALA B 214 ALA^? 24.06 O1 SO4 B 229 coo 18.89 -28.09 25.11 19.05 -26.61 23.60 22.68 13.69 106.98 23.40 15.21 108.39 coo 21.50 -24.76 21.11 19.82 -23.58 21.50 21.10 10.94 112.67 20.59 9.01 113.37 coo 16.40 -19.57 19.82 17.00 -20.87 19.22 17.92 17.53 115.89 19.42 17.18 116.11 2wwt_o00 source 2WWT INTRACELLULAR SUBTILISIN PROTEASE : 3 hits 2wwt_o00 naa= 3 ULMN 3 2wwt_o01 INTRACELLULAR SUBTILISIN PROTEASE user 1 3 # 1 B 49 ASP A 208 ASP^? 7.66 O1 SO4 A 230 B 86 HIS A 210 HIS^? 9.95 O1 SO4 A 230 B 250 ALA A 214 ALA^? 7.16 O1 SO4 A 230 coo -25.60 -8.15 41.87 -24.93 -7.05 43.55 -15.69 43.98 89.75 -16.79 45.74 90.29 coo -24.87 -3.97 45.59 -22.79 -4.09 45.73 -16.02 49.92 93.97 -17.27 50.59 95.51 coo -17.45 -4.02 46.78 -18.80 -4.41 47.26 -14.84 46.79 99.08 -16.31 46.97 98.48 ULMN 3 2wwt_o01 INTRACELLULAR SUBTILISIN PROTEASE user 2 3 # 2 B 49 ASP B 120 ASP^? 8.68 O3 SO4 B 229 B 86 HIS B 97 HIS^? 12.49 O3 SO4 B 229 B 250 ALA B 185 ALA^? 10.94 O1 SO4 B 229 coo -25.60 -8.15 41.87 -24.93 -7.05 43.55 -4.32 17.92 112.37 -3.28 16.49 113.53 coo -24.87 -3.97 45.59 -22.79 -4.09 45.73 -3.31 12.76 116.75 -2.66 14.35 115.55 coo -17.45 -4.02 46.78 -18.80 -4.41 47.26 0.02 10.85 109.56 -1.39 10.88 110.17 ULMN 3 2wwt_o01 INTRACELLULAR SUBTILISIN PROTEASE user 3 3 # 3 B 49 ASP B 208 ASP^? 25.58 O1 SO4 B 229 B 86 HIS B 210 HIS^? 25.92 O1 SO4 B 229 B 250 ALA B 214 ALA^? 24.06 O1 SO4 B 229 coo -25.60 -8.15 41.87 -24.93 -7.05 43.55 22.68 13.69 106.98 23.40 15.21 108.39 coo -24.87 -3.97 45.59 -22.79 -4.09 45.73 21.10 10.94 112.67 20.59 9.01 113.37 coo -17.45 -4.02 46.78 -18.80 -4.41 47.26 17.92 17.53 115.89 19.42 17.18 116.11 2wwt_o01 source 2WWT INTRACELLULAR SUBTILISIN PROTEASE : 3 hits 2wwt_o01 naa= 3 ULMN 3 2wwt_o02 INTRACELLULAR SUBTILISIN PROTEASE user 1 3 # 1 C 49 ASP A 208 ASP^? 7.66 O1 SO4 A 230 C 86 HIS A 210 HIS^? 9.95 O1 SO4 A 230 C 250 ALA A 214 ALA^? 7.16 O1 SO4 A 230 coo 52.29 -8.84 6.54 53.45 -9.52 8.16 -15.69 43.98 89.75 -16.79 45.74 90.29 coo 56.78 -9.42 10.42 56.27 -11.41 10.02 -16.02 49.92 93.97 -17.27 50.59 95.51 coo 56.74 -16.59 11.78 56.33 -15.18 12.23 -14.84 46.79 99.08 -16.31 46.97 98.48 ULMN 3 2wwt_o02 INTRACELLULAR SUBTILISIN PROTEASE user 2 3 # 2 C 49 ASP B 120 ASP^? 8.68 O3 SO4 B 229 C 86 HIS B 97 HIS^? 12.49 O3 SO4 B 229 C 250 ALA B 185 ALA^? 10.94 O1 SO4 B 229 coo 52.29 -8.84 6.54 53.45 -9.52 8.16 -4.32 17.92 112.37 -3.28 16.49 113.53 coo 56.78 -9.42 10.42 56.27 -11.41 10.02 -3.31 12.76 116.75 -2.66 14.35 115.55 coo 56.74 -16.59 11.78 56.33 -15.18 12.23 0.02 10.85 109.56 -1.39 10.88 110.17 ULMN 3 2wwt_o02 INTRACELLULAR SUBTILISIN PROTEASE user 3 3 # 3 C 49 ASP B 208 ASP^? 25.58 O1 SO4 B 229 C 86 HIS B 210 HIS^? 25.92 O1 SO4 B 229 C 250 ALA B 214 ALA^? 24.06 O1 SO4 B 229 coo 52.29 -8.84 6.54 53.45 -9.52 8.16 22.68 13.69 106.98 23.40 15.21 108.39 coo 56.78 -9.42 10.42 56.27 -11.41 10.02 21.10 10.94 112.67 20.59 9.01 113.37 coo 56.74 -16.59 11.78 56.33 -15.18 12.23 17.92 17.53 115.89 19.42 17.18 116.11 2wwt_o02 source 2WWT INTRACELLULAR SUBTILISIN PROTEASE : 3 hits 2wwt_o02 naa= 3 ULMN 3 2wwt_o03 INTRACELLULAR SUBTILISIN PROTEASE user 1 3 # 1 D 49 ASP A 208 ASP^? 7.66 O1 SO4 A 230 D 86 HIS A 210 HIS^? 9.95 O1 SO4 A 230 D 250 ALA A 214 ALA^? 7.16 O1 SO4 A 230 coo 33.58 -54.23 -8.77 34.81 -54.76 -10.41 -15.69 43.98 89.75 -16.79 45.74 90.29 coo 36.78 -56.86 -12.59 37.95 -55.16 -12.26 -16.02 49.92 93.97 -17.27 50.59 95.51 coo 41.85 -51.50 -13.98 40.55 -52.02 -14.52 -14.84 46.79 99.08 -16.31 46.97 98.48 ULMN 3 2wwt_o03 INTRACELLULAR SUBTILISIN PROTEASE user 2 3 # 2 D 49 ASP B 120 ASP^? 8.68 O3 SO4 B 229 D 86 HIS B 97 HIS^? 12.49 O3 SO4 B 229 D 250 ALA B 185 ALA^? 10.94 O1 SO4 B 229 coo 33.58 -54.23 -8.77 34.81 -54.76 -10.41 -4.32 17.92 112.37 -3.28 16.49 113.53 coo 36.78 -56.86 -12.59 37.95 -55.16 -12.26 -3.31 12.76 116.75 -2.66 14.35 115.55 coo 41.85 -51.50 -13.98 40.55 -52.02 -14.52 0.02 10.85 109.56 -1.39 10.88 110.17 ULMN 3 2wwt_o03 INTRACELLULAR SUBTILISIN PROTEASE user 3 3 # 3 D 49 ASP B 208 ASP^? 25.58 O1 SO4 B 229 D 86 HIS B 210 HIS^? 25.92 O1 SO4 B 229 D 250 ALA B 214 ALA^? 24.06 O1 SO4 B 229 coo 33.58 -54.23 -8.77 34.81 -54.76 -10.41 22.68 13.69 106.98 23.40 15.21 108.39 coo 36.78 -56.86 -12.59 37.95 -55.16 -12.26 21.10 10.94 112.67 20.59 9.01 113.37 coo 41.85 -51.50 -13.98 40.55 -52.02 -14.52 17.92 17.53 115.89 19.42 17.18 116.11 2wwt_o03 source 2WWT INTRACELLULAR SUBTILISIN PROTEASE : 3 hits 2wwt_o03 naa= 3 ULMN 3 2wwt_o04 INTRACELLULAR SUBTILISIN PROTEASE user 1 3 # 1 E 49 ASP A 208 ASP^? 7.66 O1 SO4 A 230 E 86 HIS A 210 HIS^? 9.95 O1 SO4 A 230 E 250 ALA A 214 ALA^? 7.16 O1 SO4 A 230 coo -36.18 24.97 18.78 -36.93 26.11 17.11 -15.69 43.98 89.75 -16.79 45.74 90.29 coo -36.85 29.32 15.06 -38.90 29.14 15.48 -16.02 49.92 93.97 -17.27 50.59 95.51 coo -44.49 29.68 13.98 -43.47 28.67 13.52 -14.84 46.79 99.08 -16.31 46.97 98.48 ULMN 3 2wwt_o04 INTRACELLULAR SUBTILISIN PROTEASE user 2 3 # 2 E 49 ASP B 120 ASP^? 8.68 O3 SO4 B 229 E 86 HIS B 97 HIS^? 12.49 O3 SO4 B 229 E 250 ALA B 185 ALA^? 10.94 O1 SO4 B 229 coo -36.18 24.97 18.78 -36.93 26.11 17.11 -4.32 17.92 112.37 -3.28 16.49 113.53 coo -36.85 29.32 15.06 -38.90 29.14 15.48 -3.31 12.76 116.75 -2.66 14.35 115.55 coo -44.49 29.68 13.98 -43.47 28.67 13.52 0.02 10.85 109.56 -1.39 10.88 110.17 ULMN 3 2wwt_o04 INTRACELLULAR SUBTILISIN PROTEASE user 3 3 # 3 E 49 ASP B 208 ASP^? 25.58 O1 SO4 B 229 E 86 HIS B 210 HIS^? 25.92 O1 SO4 B 229 E 250 ALA B 214 ALA^? 24.06 O1 SO4 B 229 coo -36.18 24.97 18.78 -36.93 26.11 17.11 22.68 13.69 106.98 23.40 15.21 108.39 coo -36.85 29.32 15.06 -38.90 29.14 15.48 21.10 10.94 112.67 20.59 9.01 113.37 coo -44.49 29.68 13.98 -43.47 28.67 13.52 17.92 17.53 115.89 19.42 17.18 116.11 2wwt_o04 source 2WWT INTRACELLULAR SUBTILISIN PROTEASE : 3 hits 2wwt_o04 naa= 3 ULMN 3 2wwt_o05 INTRACELLULAR SUBTILISIN PROTEASE user 1 3 # 1 F 49 ASP A 208 ASP^? 7.66 O1 SO4 A 230 F 86 HIS A 210 HIS^? 9.95 O1 SO4 A 230 F 250 ALA A 214 ALA^? 7.16 O1 SO4 A 230 coo -82.12 8.55 35.60 -81.93 9.84 37.19 -15.69 43.98 89.75 -16.79 45.74 90.29 coo -84.21 11.81 39.90 -82.43 12.70 39.26 -16.02 49.92 93.97 -17.27 50.59 95.51 coo -78.49 17.13 41.31 -79.25 15.85 41.61 -14.84 46.79 99.08 -16.31 46.97 98.48 ULMN 3 2wwt_o05 INTRACELLULAR SUBTILISIN PROTEASE user 2 3 # 2 F 49 ASP B 208 ASP^? 25.58 O1 SO4 B 229 F 86 HIS B 210 HIS^? 25.92 O1 SO4 B 229 F 250 ALA B 214 ALA^? 24.06 O1 SO4 B 229 coo -82.12 8.55 35.60 -81.93 9.84 37.19 22.68 13.69 106.98 23.40 15.21 108.39 coo -84.21 11.81 39.90 -82.43 12.70 39.26 21.10 10.94 112.67 20.59 9.01 113.37 coo -78.49 17.13 41.31 -79.25 15.85 41.61 17.92 17.53 115.89 19.42 17.18 116.11 2wwt_o05 source 2WWT INTRACELLULAR SUBTILISIN PROTEASE : 2 hits 2wwt_o05 naa= 3 ULMN 4 3ay3_o00 NAD-DEPENDENT EPIMERASE/DEHYDRATASE user 1 4 # 1 A 33 ASP A 52 ASP^? 8.69 O1 SO4 A 229 A 50 ASP A 115 ASP^? 8.58 O1 SO4 A 229 A 135 TYR B 45 TYR^? 13.10 O4 SO4 B 229 A 139 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo 70.97 69.36 47.09 72.37 70.68 46.17 13.74 39.26 94.65 14.56 41.23 94.45 coo 70.64 63.25 38.70 71.64 63.73 36.92 15.77 43.56 105.82 15.72 41.47 106.14 coo 76.54 81.45 36.18 74.68 81.93 38.25 10.04 26.44 102.60 11.44 24.36 103.85 coo 70.40 81.94 33.22 70.32 79.36 37.92 16.47 24.53 104.57 15.75 30.78 103.34 ULMN 4 3ay3_o00 NAD-DEPENDENT EPIMERASE/DEHYDRATASE user 2 4 # 2 A 33 ASP A 196 ASP^? 13.16 O4 SO4 A 231 A 50 ASP A 11 ASP.? 21.96 O2 SO4 A 231 A 135 TYR A 45 TYR^? 12.83 O3 SO4 A 229 A 139 LYS A 35 LYS^? 11.43 O2 SO4 A 230 coo 70.97 69.36 47.09 72.37 70.68 46.17 1.09 35.34 80.24 -0.14 33.75 80.95 coo 70.64 63.25 38.70 71.64 63.73 36.92 -4.20 26.29 77.28 -4.78 26.04 75.24 coo 76.54 81.45 36.18 74.68 81.93 38.25 -3.49 33.26 97.33 -5.14 35.38 96.58 coo 70.40 81.94 33.22 70.32 79.36 37.92 -9.76 35.16 95.20 -10.16 29.64 98.57 3ay3_o00 source 3AY3 NAD-DEPENDENT EPIMERASE/DEHYDRATASE : 2 hits 3ay3_o00 naa= 4 ULMN 4 3ay3_o02 NAD-DEPENDENT EPIMERASE/DEHYDRATASE user 1 4 # 1 C 33 ASP A 52 ASP^? 8.69 O1 SO4 A 229 C 50 ASP A 115 ASP^? 8.58 O1 SO4 A 229 C 135 TYR B 45 TYR^? 13.10 O4 SO4 B 229 C 139 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo 86.20 60.28 31.38 86.67 62.15 32.25 13.74 39.26 94.65 14.56 41.23 94.45 coo 81.03 56.94 39.98 80.92 58.13 41.68 15.77 43.56 105.82 15.72 41.47 106.14 coo 93.45 71.06 42.47 95.04 69.99 40.46 10.04 26.44 102.60 11.44 24.36 103.85 coo 97.22 66.11 45.24 94.47 64.68 41.07 16.47 24.53 104.57 15.75 30.78 103.34 ULMN 4 3ay3_o02 NAD-DEPENDENT EPIMERASE/DEHYDRATASE user 2 4 # 2 C 33 ASP A 115 ASP^? 8.58 O1 SO4 A 229 C 50 ASP A 52 ASP^? 8.69 O1 SO4 A 229 C 135 TYR B 228 TYR^? 12.23 O3 SO4 A 229 C 139 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo 86.20 60.28 31.38 86.67 62.15 32.25 15.77 43.56 105.82 15.72 41.47 106.14 coo 81.03 56.94 39.98 80.92 58.13 41.68 13.74 39.26 94.65 14.56 41.23 94.45 coo 93.45 71.06 42.47 95.04 69.99 40.46 10.57 28.77 107.84 8.55 29.75 109.51 coo 97.22 66.11 45.24 94.47 64.68 41.07 16.47 24.53 104.57 15.75 30.78 103.34 3ay3_o02 source 3AY3 NAD-DEPENDENT EPIMERASE/DEHYDRATASE : 2 hits 3ay3_o02 naa= 4 ULMN 4 3ay3_o03 NAD-DEPENDENT EPIMERASE/DEHYDRATASE user 1 4 # 1 D 33 ASP A 52 ASP^? 8.69 O1 SO4 A 229 D 50 ASP A 115 ASP^? 8.58 O1 SO4 A 229 D 135 TYR B 45 TYR^? 13.10 O4 SO4 B 229 D 139 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo 85.52 62.84 73.55 86.96 61.48 72.69 13.74 39.26 94.65 14.56 41.23 94.45 coo 79.58 63.22 65.19 80.01 62.49 63.28 15.77 43.56 105.82 15.72 41.47 106.14 coo 97.27 56.92 62.74 97.69 58.80 64.79 10.04 26.44 102.60 11.44 24.36 103.85 coo 98.02 63.02 59.73 95.39 63.19 64.30 16.47 24.53 104.57 15.75 30.78 103.34 ULMN 4 3ay3_o03 NAD-DEPENDENT EPIMERASE/DEHYDRATASE user 2 4 # 2 D 33 ASP A 115 ASP^? 8.58 O1 SO4 A 229 D 50 ASP A 52 ASP^? 8.69 O1 SO4 A 229 D 135 TYR B 228 TYR^? 12.23 O3 SO4 A 229 D 139 LYS B 35 LYS^? 11.60 O1 SO4 A 229 coo 85.52 62.84 73.55 86.96 61.48 72.69 15.77 43.56 105.82 15.72 41.47 106.14 coo 79.58 63.22 65.19 80.01 62.49 63.28 13.74 39.26 94.65 14.56 41.23 94.45 coo 97.27 56.92 62.74 97.69 58.80 64.79 10.57 28.77 107.84 8.55 29.75 109.51 coo 98.02 63.02 59.73 95.39 63.19 64.30 16.47 24.53 104.57 15.75 30.78 103.34 3ay3_o03 source 3AY3 NAD-DEPENDENT EPIMERASE/DEHYDRATASE : 2 hits 3ay3_o03 naa= 4 ULMN 3 3hde_o01 LYSOZYME user 1 3 # 1 B 35 GLU A 96 GLU^? 17.08 O4 SO4 A 229 B 44 ASP A 179 ASP^? 20.51 O2 SO4 A 229 B 50 THR A 177 THR^? 23.39 O4 SO4 A 229 coo -10.34 -10.51 -29.93 -8.23 -10.47 -29.91 1.22 55.68 105.58 1.14 56.60 103.71 coo -0.99 -14.50 -23.89 0.18 -12.74 -23.86 9.62 60.80 96.72 10.25 60.11 94.85 coo -5.24 -12.06 -20.18 -4.96 -12.24 -22.31 9.52 63.23 102.09 11.74 63.56 101.98 ULMN 3 3hde_o01 LYSOZYME user 2 3 # 2 B 35 GLU B 187 GLU^? 15.82 O1 SO4 B 229 B 44 ASP B 179 ASP^? 19.53 O1 SO4 B 229 B 50 THR B 177 THR^? 22.87 O3 SO4 B 229 coo -10.34 -10.51 -29.93 -8.23 -10.47 -29.91 5.79 8.67 109.77 5.71 6.74 108.88 coo -0.99 -14.50 -23.89 0.18 -12.74 -23.86 -5.05 2.01 112.29 -5.62 2.01 110.23 coo -5.24 -12.06 -20.18 -4.96 -12.24 -22.31 -1.31 2.82 117.37 -0.41 2.53 119.34 3hde_o01 source 3HDE LYSOZYME : 2 hits 3hde_o01 naa= 3 ULMN 3 3hde_o02 LYSOZYME user 1 3 # 1 C 35 GLU A 74 GLU^? 15.20 O4 SO4 A 231 C 44 ASP A 120 ASP^? 7.17 O2 SO4 A 229 C 50 THR A 186 THR^? 13.38 O4 SO4 A 229 coo 15.89 -0.52 0.58 15.91 1.38 -0.35 6.06 51.55 88.92 5.14 51.51 86.98 coo 24.21 6.79 -4.52 23.75 8.67 -3.70 9.29 47.78 99.49 7.80 47.36 98.01 coo 25.48 4.87 1.60 23.90 4.95 0.15 1.54 50.72 99.84 1.17 52.62 100.74 ULMN 3 3hde_o02 LYSOZYME user 2 3 # 2 C 35 GLU A 96 GLU^? 17.08 O4 SO4 A 229 C 44 ASP A 179 ASP^? 20.51 O2 SO4 A 229 C 50 THR A 177 THR^? 23.39 O4 SO4 A 229 coo 15.89 -0.52 0.58 15.91 1.38 -0.35 1.22 55.68 105.58 1.14 56.60 103.71 coo 24.21 6.79 -4.52 23.75 8.67 -3.70 9.62 60.80 96.72 10.25 60.11 94.85 coo 25.48 4.87 1.60 23.90 4.95 0.15 9.52 63.23 102.09 11.74 63.56 101.98 ULMN 3 3hde_o02 LYSOZYME user 3 3 # 3 C 35 GLU B 187 GLU^? 15.82 O1 SO4 B 229 C 44 ASP B 179 ASP^? 19.53 O1 SO4 B 229 C 50 THR B 177 THR^? 22.87 O3 SO4 B 229 coo 15.89 -0.52 0.58 15.91 1.38 -0.35 5.79 8.67 109.77 5.71 6.74 108.88 coo 24.21 6.79 -4.52 23.75 8.67 -3.70 -5.05 2.01 112.29 -5.62 2.01 110.23 coo 25.48 4.87 1.60 23.90 4.95 0.15 -1.31 2.82 117.37 -0.41 2.53 119.34 3hde_o02 source 3HDE LYSOZYME : 3 hits 3hde_o02 naa= 3 ULMN 3 3uao_o00 PUTATIVE ISOCHORISMATASE user 1 3 # 1 A 29 ASP A 154 ASP^? 25.59 O1 SO4 A 229 A 117 LYS A 150 LYS^? 27.89 O1 SO4 A 229 A 150 CYH A 101 CYH^? 24.07 O4 SO4 A 229 coo 37.97 47.82 5.46 38.65 48.02 7.40 22.41 56.72 112.09 24.50 56.74 112.55 coo 41.02 51.33 13.36 40.18 47.06 9.99 22.85 50.51 120.58 24.66 47.59 122.80 coo 39.17 42.30 8.54 40.94 44.26 7.78 16.31 57.21 114.20 15.99 59.89 113.39 ULMN 3 3uao_o00 PUTATIVE ISOCHORISMATASE user 2 3 # 2 A 29 ASP B 154 ASP^? 28.34 O3 SO4 B 229 A 117 LYS B 150 LYS^? 31.23 O3 SO4 B 229 A 150 CYH B 101 CYH^? 26.55 O3 SO4 B 229 coo 37.97 47.82 5.46 38.65 48.02 7.40 -19.38 9.09 123.27 -21.52 8.99 123.42 coo 41.02 51.33 13.36 40.18 47.06 9.99 -21.61 16.08 130.79 -22.65 22.25 130.12 coo 39.17 42.30 8.54 40.94 44.26 7.78 -13.61 9.02 126.06 -13.33 6.29 125.42 3uao_o00 source 3UAO PUTATIVE ISOCHORISMATASE : 2 hits 3uao_o00 naa= 3 ULMN 3 3uao_o01 PUTATIVE ISOCHORISMATASE user 1 3 # 1 B 29 ASP A 154 ASP^? 25.59 O1 SO4 A 229 B 117 LYS A 150 LYS^? 27.89 O1 SO4 A 229 B 150 CYH A 101 CYH^? 24.07 O4 SO4 A 229 coo 33.94 43.16 45.29 35.02 43.05 43.47 22.41 56.72 112.09 24.50 56.74 112.55 coo 38.53 39.60 38.22 36.76 43.89 41.37 22.85 50.51 120.58 24.66 47.59 122.80 coo 35.77 48.61 42.57 37.40 46.62 43.48 16.31 57.21 114.20 15.99 59.89 113.39 ULMN 3 3uao_o01 PUTATIVE ISOCHORISMATASE user 2 3 # 2 B 29 ASP B 154 ASP^? 28.34 O3 SO4 B 229 B 117 LYS B 150 LYS^? 31.23 O3 SO4 B 229 B 150 CYH B 101 CYH^? 26.55 O3 SO4 B 229 coo 33.94 43.16 45.29 35.02 43.05 43.47 -19.38 9.09 123.27 -21.52 8.99 123.42 coo 38.53 39.60 38.22 36.76 43.89 41.37 -21.61 16.08 130.79 -22.65 22.25 130.12 coo 35.77 48.61 42.57 37.40 46.62 43.48 -13.61 9.02 126.06 -13.33 6.29 125.42 3uao_o01 source 3UAO PUTATIVE ISOCHORISMATASE : 2 hits 3uao_o01 naa= 3 ULMN 3 3uao_o02 PUTATIVE ISOCHORISMATASE user 1 3 # 1 C 29 ASP A 154 ASP^? 25.59 O1 SO4 A 229 C 117 LYS A 150 LYS^? 27.89 O1 SO4 A 229 C 150 CYH A 101 CYH^? 24.07 O4 SO4 A 229 coo 54.62 -9.81 68.84 52.97 -9.23 67.61 22.41 56.72 112.09 24.50 56.74 112.55 coo 46.74 -10.34 64.36 51.80 -7.96 65.19 22.85 50.51 120.58 24.66 47.59 122.80 coo 55.78 -5.03 64.48 55.52 -7.79 64.07 16.31 57.21 114.20 15.99 59.89 113.39 ULMN 3 3uao_o02 PUTATIVE ISOCHORISMATASE user 2 3 # 2 C 29 ASP B 154 ASP^? 28.34 O3 SO4 B 229 C 117 LYS B 150 LYS^? 31.23 O3 SO4 B 229 C 150 CYH B 101 CYH^? 26.55 O3 SO4 B 229 coo 54.62 -9.81 68.84 52.97 -9.23 67.61 -19.38 9.09 123.27 -21.52 8.99 123.42 coo 46.74 -10.34 64.36 51.80 -7.96 65.19 -21.61 16.08 130.79 -22.65 22.25 130.12 coo 55.78 -5.03 64.48 55.52 -7.79 64.07 -13.61 9.02 126.06 -13.33 6.29 125.42 3uao_o02 source 3UAO PUTATIVE ISOCHORISMATASE : 2 hits 3uao_o02 naa= 3 ULMN 3 3uao_o03 PUTATIVE ISOCHORISMATASE user 1 3 # 1 D 29 ASP A 154 ASP^? 25.59 O1 SO4 A 229 D 117 LYS A 150 LYS^? 27.89 O1 SO4 A 229 D 150 CYH A 101 CYH^? 24.07 O4 SO4 A 229 coo 25.05 13.27 54.10 26.66 12.10 53.60 22.41 56.72 112.09 24.50 56.74 112.55 coo 33.45 10.03 51.76 28.31 9.37 53.37 22.85 50.51 120.58 24.66 47.59 122.80 coo 24.32 7.20 55.59 24.80 8.07 53.08 16.31 57.21 114.20 15.99 59.89 113.39 ULMN 3 3uao_o03 PUTATIVE ISOCHORISMATASE user 2 3 # 2 D 29 ASP B 154 ASP^? 28.34 O3 SO4 B 229 D 117 LYS B 150 LYS^? 31.23 O3 SO4 B 229 D 150 CYH B 101 CYH^? 26.55 O3 SO4 B 229 coo 25.05 13.27 54.10 26.66 12.10 53.60 -19.38 9.09 123.27 -21.52 8.99 123.42 coo 33.45 10.03 51.76 28.31 9.37 53.37 -21.61 16.08 130.79 -22.65 22.25 130.12 coo 24.32 7.20 55.59 24.80 8.07 53.08 -13.61 9.02 126.06 -13.33 6.29 125.42 3uao_o03 source 3UAO PUTATIVE ISOCHORISMATASE : 2 hits 3uao_o03 naa= 3 ULMN 3 3uao_o04 PUTATIVE ISOCHORISMATASE user 1 3 # 1 E 29 ASP A 154 ASP^? 25.59 O1 SO4 A 229 E 117 LYS A 150 LYS^? 27.89 O1 SO4 A 229 E 150 CYH A 101 CYH^? 24.07 O4 SO4 A 229 coo 54.17 11.77 49.20 52.64 11.40 50.63 22.41 56.72 112.09 24.50 56.74 112.55 coo 45.83 11.66 53.42 50.97 10.25 52.77 22.85 50.51 120.58 24.66 47.59 122.80 coo 55.28 7.50 53.67 54.71 10.14 54.01 16.31 57.21 114.20 15.99 59.89 113.39 ULMN 3 3uao_o04 PUTATIVE ISOCHORISMATASE user 2 3 # 2 E 29 ASP B 154 ASP^? 28.34 O3 SO4 B 229 E 117 LYS B 150 LYS^? 31.23 O3 SO4 B 229 E 150 CYH B 101 CYH^? 26.55 O3 SO4 B 229 coo 54.17 11.77 49.20 52.64 11.40 50.63 -19.38 9.09 123.27 -21.52 8.99 123.42 coo 45.83 11.66 53.42 50.97 10.25 52.77 -21.61 16.08 130.79 -22.65 22.25 130.12 coo 55.28 7.50 53.67 54.71 10.14 54.01 -13.61 9.02 126.06 -13.33 6.29 125.42 3uao_o04 source 3UAO PUTATIVE ISOCHORISMATASE : 2 hits 3uao_o04 naa= 3 ULMN 3 3uao_o05 PUTATIVE ISOCHORISMATASE user 1 3 # 1 F 29 ASP A 154 ASP^? 25.59 O1 SO4 A 229 F 117 LYS A 150 LYS^? 27.89 O1 SO4 A 229 F 150 CYH A 101 CYH^? 24.07 O4 SO4 A 229 coo 41.67 65.37 28.64 40.76 63.70 27.74 22.41 56.72 112.09 24.50 56.74 112.55 coo 38.34 58.97 23.05 39.26 61.42 28.02 22.85 50.51 120.58 24.66 47.59 122.80 coo 39.64 61.25 32.92 38.08 62.62 31.22 16.31 57.21 114.20 15.99 59.89 113.39 ULMN 3 3uao_o05 PUTATIVE ISOCHORISMATASE user 2 3 # 2 F 29 ASP B 154 ASP^? 28.34 O3 SO4 B 229 F 117 LYS B 150 LYS^? 31.23 O3 SO4 B 229 F 150 CYH B 101 CYH^? 26.55 O3 SO4 B 229 coo 41.67 65.37 28.64 40.76 63.70 27.74 -19.38 9.09 123.27 -21.52 8.99 123.42 coo 38.34 58.97 23.05 39.26 61.42 28.02 -21.61 16.08 130.79 -22.65 22.25 130.12 coo 39.64 61.25 32.92 38.08 62.62 31.22 -13.61 9.02 126.06 -13.33 6.29 125.42 3uao_o05 source 3UAO PUTATIVE ISOCHORISMATASE : 2 hits 3uao_o05 naa= 3 ULMN 3 3uao_o06 PUTATIVE ISOCHORISMATASE user 1 3 # 1 G 29 ASP A 154 ASP^? 25.59 O1 SO4 A 229 G 117 LYS A 150 LYS^? 27.89 O1 SO4 A 229 G 150 CYH A 101 CYH^? 24.07 O4 SO4 A 229 coo 26.53 -14.13 63.27 28.07 -12.63 63.49 22.41 56.72 112.09 24.50 56.74 112.55 coo 34.28 -10.03 65.81 29.08 -9.98 63.85 22.85 50.51 120.58 24.66 47.59 122.80 coo 25.24 -8.30 61.46 25.55 -9.17 63.98 16.31 57.21 114.20 15.99 59.89 113.39 ULMN 3 3uao_o06 PUTATIVE ISOCHORISMATASE user 2 3 # 2 G 29 ASP B 154 ASP^? 28.34 O3 SO4 B 229 G 117 LYS B 150 LYS^? 31.23 O3 SO4 B 229 G 150 CYH B 101 CYH^? 26.55 O3 SO4 B 229 coo 26.53 -14.13 63.27 28.07 -12.63 63.49 -19.38 9.09 123.27 -21.52 8.99 123.42 coo 34.28 -10.03 65.81 29.08 -9.98 63.85 -21.61 16.08 130.79 -22.65 22.25 130.12 coo 25.24 -8.30 61.46 25.55 -9.17 63.98 -13.61 9.02 126.06 -13.33 6.29 125.42 3uao_o06 source 3UAO PUTATIVE ISOCHORISMATASE : 2 hits 3uao_o06 naa= 3 ULMN 3 3uao_o07 PUTATIVE ISOCHORISMATASE user 1 3 # 1 H 28 VAL A 15 VAL^? 16.78 O2 SO4 A 230 H 117 LYS A 35 LYS^? 11.43 O2 SO4 A 230 H 150 CYH A 17 CYH^? 11.83 O2 SO4 A 229 coo 45.82 27.58 23.40 45.30 28.87 21.66 -4.52 29.69 88.37 -5.51 31.55 87.70 coo 38.01 32.08 28.20 39.46 29.85 23.57 -9.76 35.16 95.20 -10.16 29.64 98.57 coo 41.19 29.62 18.76 39.21 28.51 20.32 -0.97 33.31 92.42 -1.73 36.01 93.08 ULMN 3 3uao_o07 PUTATIVE ISOCHORISMATASE user 2 3 # 2 H 28 VAL A 156 VAL^? 15.81 O4 SO4 A 229 H 117 LYS A 110 LYS^? 28.35 O1 SO4 A 229 H 150 CYH A 101 CYH^? 24.07 O4 SO4 A 229 coo 45.82 27.58 23.40 45.30 28.87 21.66 16.02 52.40 109.24 15.10 50.60 110.23 coo 38.01 32.08 28.20 39.46 29.85 23.57 25.55 58.06 108.35 29.49 58.97 105.77 coo 41.19 29.62 18.76 39.21 28.51 20.32 16.31 57.21 114.20 15.99 59.89 113.39 ULMN 3 3uao_o07 PUTATIVE ISOCHORISMATASE user 3 3 # 3 H 28 VAL B 15 VAL^? 17.99 O3 SO4 A 229 H 117 LYS B 35 LYS^? 11.60 O1 SO4 A 229 H 150 CYH B 17 CYH^? 12.15 O1 SO4 B 229 coo 45.82 27.58 23.40 45.30 28.87 21.66 15.07 24.75 94.45 15.81 22.84 95.36 coo 38.01 32.08 28.20 39.46 29.85 23.57 16.47 24.53 104.57 15.75 30.78 103.34 coo 41.19 29.62 18.76 39.21 28.51 20.32 9.71 23.41 97.97 9.87 21.46 99.96 ULMN 3 3uao_o07 PUTATIVE ISOCHORISMATASE user 4 3 # 4 H 28 VAL B 156 VAL^? 19.38 O3 SO4 B 229 H 117 LYS B 110 LYS^? 32.96 O3 SO4 B 229 H 150 CYH B 101 CYH^? 26.55 O3 SO4 B 229 coo 45.82 27.58 23.40 45.30 28.87 21.66 -12.82 13.32 120.96 -12.13 15.26 121.84 coo 38.01 32.08 28.20 39.46 29.85 23.57 -21.89 7.24 119.36 -25.62 3.73 122.06 coo 41.19 29.62 18.76 39.21 28.51 20.32 -13.61 9.02 126.06 -13.33 6.29 125.42 3uao_o07 source 3UAO PUTATIVE ISOCHORISMATASE : 4 hits 3uao_o07 naa= 3 ULMN 3 4dqk_o00 BIFUNCTIONAL P-450/NADPH-P450 REDUCTuser 1 3 # 1 A 966 SER A 69 SER^? 7.95 O2 SO4 A 229 A 967 ARG A 70 ARG^? 17.64 O2 SO4 A 229 A 975 TYR A 93 TYR^? 6.38 O2 SO4 A 229 coo 82.02 40.88 31.11 79.88 41.56 30.18 3.96 46.55 95.52 6.09 47.55 96.26 coo 78.94 44.79 33.75 77.86 47.56 32.82 2.37 50.83 90.43 1.13 53.29 89.13 coo 83.57 40.86 25.45 83.15 43.18 26.91 1.20 45.36 98.99 3.01 43.25 98.50 ULMN 3 4dqk_o00 BIFUNCTIONAL P-450/NADPH-P450 REDUCTuser 2 3 # 2 A 966 SER B 69 SER^? 7.59 O1 SO4 B 229 A 967 ARG B 70 ARG^? 17.55 O1 SO4 B 229 A 975 TYR B 93 TYR^? -6.26 O1 SO4 B 229s coo 82.02 40.88 31.11 79.88 41.56 30.18 2.50 13.30 105.34 0.09 12.83 105.70 coo 78.94 44.79 33.75 77.86 47.56 32.82 4.92 7.16 103.42 6.42 4.45 103.73 coo 83.57 40.86 25.45 83.15 43.18 26.91 3.42 16.10 108.71 2.04 17.62 106.85 ULMN 3 4dqk_o00 BIFUNCTIONAL P-450/NADPH-P450 REDUCTuser 3 3 # 3 A 966 SER B 140 SER^? 18.74 O3 SO4 B 229 A 967 ARG B 117 ARG^? 15.21 O3 SO4 B 229 A 975 TYR B 141 TYR^? 18.84 O3 SO4 B 229 coo 82.02 40.88 31.11 79.88 41.56 30.18 -13.55 22.77 120.12 -12.47 24.15 121.85 coo 78.94 44.79 33.75 77.86 47.56 32.82 -11.94 27.43 114.35 -11.31 26.82 117.30 coo 83.57 40.86 25.45 83.15 43.18 26.91 -9.09 19.42 122.99 -7.89 17.76 124.89 4dqk_o00 source 4DQK BIFUNCTIONAL P-450/NADPH-P450 REDUCTASE : 3 hits 4dqk_o00 naa= 3