*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMN 3 2wwt_o00 INTRACELLULAR SUBTILISIN PROTEASE user 1 3 # 1 A 49 ASP A 72 ASP~? 9.41 O1 EDO A 102 A 86 HIS A 76 HIS~? 3.91 O2 EDO A 102s A 250 ALA A 32 ALA.? -5.14 O2 EDO A 103s coo 18.89 -28.09 25.11 19.05 -26.61 23.60 19.04 -26.10 21.93 20.11 -24.78 20.72 coo 21.50 -24.76 21.11 19.82 -23.58 21.50 20.68 -25.44 29.29 22.44 -24.37 29.64 coo 16.40 -19.57 19.82 17.00 -20.87 19.22 18.89 -31.60 30.32 19.49 -30.34 29.72 ULMN 3 2wwt_o00 INTRACELLULAR SUBTILISIN PROTEASE user 2 3 # 2 A 49 ASP A 72 ASP~? 9.41 O1 EDO A 102 A 86 HIS A 76 HIS~? 3.91 O2 EDO A 102s A 250 ALA A 78 ALA~? 9.16 C4 NBZ A 112 coo 18.89 -28.09 25.11 19.05 -26.61 23.60 19.04 -26.10 21.93 20.11 -24.78 20.72 coo 21.50 -24.76 21.11 19.82 -23.58 21.50 20.68 -25.44 29.29 22.44 -24.37 29.64 coo 16.40 -19.57 19.82 17.00 -20.87 19.22 14.23 -23.30 32.13 13.34 -24.45 32.44 ULMN 3 2wwt_o00 INTRACELLULAR SUBTILISIN PROTEASE user 3 3 # 3 A 49 ASP A 75 ASP~? -3.37 CL CL A 101s A 86 HIS A 73 HIS~? -4.02 O2 EDO A 105s A 250 ALA A 69 ALA~? 8.89 O2 EDO A 105 coo 18.89 -28.09 25.11 19.05 -26.61 23.60 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 21.50 -24.76 21.11 19.82 -23.58 21.50 17.06 -30.49 26.75 15.82 -32.02 27.49 coo 16.40 -19.57 19.82 17.00 -20.87 19.22 21.83 -29.76 22.01 21.88 -31.27 21.77 ULMN 3 2wwt_o00 INTRACELLULAR SUBTILISIN PROTEASE user 4 3 # 4 A 49 ASP A 75 ASP~? -3.37 CL CL A 101s A 86 HIS A 76 HIS~? 3.91 O2 EDO A 102s A 250 ALA A 69 ALA~? 8.89 O2 EDO A 105 coo 18.89 -28.09 25.11 19.05 -26.61 23.60 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 21.50 -24.76 21.11 19.82 -23.58 21.50 20.68 -25.44 29.29 22.44 -24.37 29.64 coo 16.40 -19.57 19.82 17.00 -20.87 19.22 21.83 -29.76 22.01 21.88 -31.27 21.77 ULMN 3 2wwt_o00 INTRACELLULAR SUBTILISIN PROTEASE user 5 3 # 5 A 49 ASP B 72 ASP~? -3.91 O2 EDO A 104s A 86 HIS B 73 HIS~? 5.11 C2 EDO A 104 A 250 ALA B 78 ALA~? 9.37 CH3 ACT B 102 coo 18.89 -28.09 25.11 19.05 -26.61 23.60 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 21.50 -24.76 21.11 19.82 -23.58 21.50 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 16.40 -19.57 19.82 17.00 -20.87 19.22 14.97 -47.84 20.03 14.24 -46.69 20.72 ULMN 3 2wwt_o00 INTRACELLULAR SUBTILISIN PROTEASE user 6 3 # 6 A 49 ASP B 75 ASP~? 7.34 C2 EDO A 105 A 86 HIS B 73 HIS~? 5.11 C2 EDO A 104 A 250 ALA B 69 ALA~? 3.93 C1 EDO A 104 coo 18.89 -28.09 25.11 19.05 -26.61 23.60 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 21.50 -24.76 21.11 19.82 -23.58 21.50 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 16.40 -19.57 19.82 17.00 -20.87 19.22 27.47 -41.30 18.33 27.70 -39.80 18.34 ULMN 3 2wwt_o00 INTRACELLULAR SUBTILISIN PROTEASE user 7 3 # 7 A 49 ASP B 75 ASP~? 7.34 C2 EDO A 105 A 86 HIS B 76 HIS~? -3.94 OXT ACT B 102s A 250 ALA B 69 ALA~? 3.93 C1 EDO A 104 coo 18.89 -28.09 25.11 19.05 -26.61 23.60 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 21.50 -24.76 21.11 19.82 -23.58 21.50 20.42 -45.46 15.69 21.14 -46.68 14.13 coo 16.40 -19.57 19.82 17.00 -20.87 19.22 27.47 -41.30 18.33 27.70 -39.80 18.34 2wwt_o00 source 2WWT INTRACELLULAR SUBTILISIN PROTEASE : 7 hits 2wwt_o00 naa= 3 ULMN 4 1a7u_c04 CHLOROPEROXIDASE T user 1 4 # 1 A 140 ALA A 81 ALA~? 9.38 C4 NBZ A 112 A 141 PRO A 85 PRO.? 11.57 C5 NBZ A 112 A 228 ASP A 72 ASP~? 9.41 O1 EDO A 102 A 257 HIS A 73 HIS~? -4.02 O2 EDO A 105s coo -3.17 33.71 41.15 -2.19 32.81 40.39 15.71 -18.57 33.45 14.32 -19.03 32.89 coo -4.29 30.56 43.91 -3.25 32.54 44.01 15.69 -14.05 37.40 17.83 -13.37 37.48 coo 2.03 38.95 28.44 3.60 38.60 29.83 19.04 -26.10 21.93 20.11 -24.78 20.72 coo 6.85 37.62 29.99 7.50 38.47 31.78 17.06 -30.49 26.75 15.82 -32.02 27.49 ULMN 4 1a7u_c04 CHLOROPEROXIDASE T user 2 4 # 2 A 140 ALA B 81 ALA~? 10.03 CH3 ACT B 102 A 141 PRO B 85 PRO.? 12.64 CH3 ACT B 102 A 228 ASP B 72 ASP~? -3.91 O2 EDO A 104s A 257 HIS B 73 HIS~? 5.11 C2 EDO A 104 coo -3.17 33.71 41.15 -2.19 32.81 40.39 14.49 -52.51 18.03 14.38 -52.17 19.55 coo -4.29 30.56 43.91 -3.25 32.54 44.01 10.89 -57.06 15.72 12.36 -57.85 14.20 coo 2.03 38.95 28.44 3.60 38.60 29.83 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 6.85 37.62 29.99 7.50 38.47 31.78 21.13 -40.83 20.13 19.87 -39.36 20.93 ULMN 4 1a7u_c04 CHLOROPEROXIDASE T user 3 4 # 3 A 140 ALA B 84 ALA~? 10.43 CH3 ACT B 102 A 141 PRO B 85 PRO.? 12.64 CH3 ACT B 102 A 228 ASP B 75 ASP~? 7.34 C2 EDO A 105 A 257 HIS B 73 HIS~? 5.11 C2 EDO A 104 coo -3.17 33.71 41.15 -2.19 32.81 40.39 14.83 -55.91 13.99 15.49 -56.07 15.37 coo -4.29 30.56 43.91 -3.25 32.54 44.01 10.89 -57.06 15.72 12.36 -57.85 14.20 coo 2.03 38.95 28.44 3.60 38.60 29.83 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 6.85 37.62 29.99 7.50 38.47 31.78 21.13 -40.83 20.13 19.87 -39.36 20.93 1a7u_c04 source 1a7u CHLOROPEROXIDASE T : 3 hits 1a7u_c04 naa= 4 ULMN 4 1a7u_c05 CHLOROPEROXIDASE T user 1 4 # 1 B 140 ALA A 81 ALA~? 9.38 C4 NBZ A 112 B 141 PRO A 85 PRO.? 11.57 C5 NBZ A 112 B 228 ASP A 72 ASP~? 9.41 O1 EDO A 102 B 257 HIS A 73 HIS~? -4.02 O2 EDO A 105s coo 25.73 54.94 3.35 27.07 55.54 3.80 15.71 -18.57 33.45 14.32 -19.03 32.89 coo 25.81 51.10 5.29 24.88 53.11 5.69 15.69 -14.05 37.40 17.83 -13.37 37.48 coo 31.11 65.98 -3.92 31.07 66.41 -1.82 19.04 -26.10 21.93 20.11 -24.78 20.72 coo 32.76 68.02 0.70 31.21 68.44 2.05 17.06 -30.49 26.75 15.82 -32.02 27.49 1a7u_c05 source 1a7u CHLOROPEROXIDASE T : 1 hits 1a7u_c05 naa= 4 ULMN 4 1ddj_c01 PLASMINOGEN user 1 4 # 1 B 603 HIS A 76 HIS~? 3.91 O2 EDO A 102s B 646 ASP A 75 ASP~? -3.37 CL CL A 101s B 739 GLY A 66 GLY~? 7.08 O1 EDO A 104 B 741 ALA A 69 ALA~? 8.89 O2 EDO A 105 coo -28.76 37.11 -20.75 -29.48 38.32 -19.19 20.68 -25.44 29.29 22.44 -24.37 29.64 coo -23.42 34.83 -23.78 -25.09 36.03 -23.31 16.12 -29.42 31.11 14.94 -31.11 31.50 coo -24.60 49.24 -23.60 -24.80 48.99 -22.86 26.20 -32.54 22.39 26.37 -31.76 22.09 coo -27.00 42.91 -23.45 -27.89 42.02 -22.58 21.83 -29.76 22.01 21.88 -31.27 21.77 1ddj_c01 source 1ddj PLASMINOGEN : 1 hits 1ddj_c01 naa= 4 ULMN 4 1dio_c00 DIOL DEHYDRATASE user 1 4 # 1 A 143 HIS B 73 HIS~? 5.11 C2 EDO A 104 A 170 GLU B 36 GLU.? 4.68 C1 EDO A 104 A 296 GLN B 71 GLN~? 10.01 OXT ACT B 102 A 335 ASP B 72 ASP~? -3.91 O2 EDO A 104s coo 76.90 -1.10 170.49 78.48 0.25 170.69 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 76.45 1.78 165.92 77.83 2.80 167.12 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 80.50 8.33 170.46 80.05 6.58 169.34 26.83 -46.80 14.76 28.45 -48.23 14.84 coo 79.61 2.57 174.02 81.25 3.85 173.48 26.38 -44.91 20.83 26.53 -45.26 22.94 1dio_c00 source 1dio DIOL DEHYDRATASE : 1 hits 1dio_c00 naa= 4 ULMN 4 1dio_c01 DIOL DEHYDRATASE user 1 4 # 1 L 143 HIS B 73 HIS~? 5.11 C2 EDO A 104 L 170 GLU B 36 GLU.? 4.68 C1 EDO A 104 L 296 GLN B 71 GLN~? 10.01 OXT ACT B 102 L 335 ASP B 72 ASP~? -3.91 O2 EDO A 104s coo 82.46 -3.64 210.53 80.56 -2.84 210.31 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 82.52 -1.49 215.66 80.77 -0.71 214.69 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 77.25 4.69 212.00 77.71 2.78 212.89 26.83 -46.80 14.76 28.45 -48.23 14.84 coo 79.03 -0.23 207.82 77.25 0.67 208.50 26.38 -44.91 20.83 26.53 -45.26 22.94 1dio_c01 source 1dio DIOL DEHYDRATASE : 1 hits 1dio_c01 naa= 4 ULMN 4 1dub_c00 2-ENOYL-COA HYDRATASE user 1 4 # 1 A 98 ALA A 69 ALA~? 8.89 O2 EDO A 105 A 141 GLY A 66 GLY~? 7.08 O1 EDO A 104 A 144 GLU A 36 GLU.? 4.60 C2 EDO A 104 A 164 GLU B 36 GLU.? 4.68 C1 EDO A 104 coo 58.27 102.60 178.19 59.43 101.66 178.07 21.83 -29.76 22.01 21.88 -31.27 21.77 coo 59.27 103.88 173.55 59.11 104.69 173.45 26.20 -32.54 22.39 26.37 -31.76 22.09 coo 61.78 103.61 169.93 62.63 102.26 171.29 25.24 -36.15 22.76 23.21 -36.44 22.19 coo 65.46 104.88 175.81 64.47 105.72 174.12 26.07 -36.88 17.25 24.74 -37.15 18.88 1dub_c00 source 1dub 2-ENOYL-COA HYDRATASE : 1 hits 1dub_c00 naa= 4 ULMN 4 1dub_c01 2-ENOYL-COA HYDRATASE user 1 4 # 1 B 98 ALA A 69 ALA~? 8.89 O2 EDO A 105 B 141 GLY A 66 GLY~? 7.08 O1 EDO A 104 B 144 GLU A 36 GLU.? 4.60 C2 EDO A 104 B 164 GLU B 36 GLU.? 4.68 C1 EDO A 104 coo 93.67 115.22 150.99 93.63 113.90 150.22 21.83 -29.76 22.01 21.88 -31.27 21.77 coo 88.87 114.43 152.30 88.45 115.15 152.32 26.20 -32.54 22.39 26.37 -31.76 22.09 coo 85.20 111.99 152.05 86.60 110.89 150.91 25.24 -36.15 22.76 23.21 -36.44 22.19 coo 88.14 113.46 145.73 86.79 113.92 147.30 26.07 -36.88 17.25 24.74 -37.15 18.88 1dub_c01 source 1dub 2-ENOYL-COA HYDRATASE : 1 hits 1dub_c01 naa= 4 ULMN 4 1dub_c02 2-ENOYL-COA HYDRATASE user 1 4 # 1 C 98 ALA A 69 ALA~? 8.89 O2 EDO A 105 C 141 GLY A 66 GLY~? 7.08 O1 EDO A 104 C 144 GLU A 36 GLU.? 4.60 C2 EDO A 104 C 164 GLU B 36 GLU.? 4.68 C1 EDO A 104 coo 53.00 102.79 132.36 53.08 101.42 133.06 21.83 -29.76 22.01 21.88 -31.27 21.77 coo 56.28 104.55 135.84 56.09 105.34 136.05 26.20 -32.54 22.39 26.37 -31.76 22.09 coo 58.46 103.90 139.48 57.57 102.00 139.16 25.24 -36.15 22.76 23.21 -36.44 22.19 coo 51.71 102.03 140.09 53.02 103.62 140.54 26.07 -36.88 17.25 24.74 -37.15 18.88 1dub_c02 source 1dub 2-ENOYL-COA HYDRATASE : 1 hits 1dub_c02 naa= 4 ULMN 4 1dub_c04 2-ENOYL-COA HYDRATASE user 1 4 # 1 E 98 ALA A 69 ALA~? 8.89 O2 EDO A 105 E 141 GLY A 66 GLY~? 7.08 O1 EDO A 104 E 144 GLU A 36 GLU.? 4.60 C2 EDO A 104 E 164 GLU B 36 GLU.? 4.68 C1 EDO A 104 coo 91.93 82.37 174.92 90.77 83.36 175.00 21.83 -29.76 22.01 21.88 -31.27 21.77 coo 90.07 81.07 170.50 90.23 80.26 170.38 26.20 -32.54 22.39 26.37 -31.76 22.09 coo 87.05 81.30 167.53 86.38 82.74 168.94 25.24 -36.15 22.76 23.21 -36.44 22.19 coo 84.40 80.02 173.80 85.08 79.06 172.03 26.07 -36.88 17.25 24.74 -37.15 18.88 1dub_c04 source 1dub 2-ENOYL-COA HYDRATASE : 1 hits 1dub_c04 naa= 4 ULMN 4 1dub_c05 2-ENOYL-COA HYDRATASE user 1 4 # 1 F 98 ALA A 69 ALA~? 8.89 O2 EDO A 105 F 141 GLY A 66 GLY~? 7.08 O1 EDO A 104 F 144 GLU A 36 GLU.? 4.60 C2 EDO A 104 F 164 GLU B 36 GLU.? 4.68 C1 EDO A 104 coo 52.21 69.79 154.56 52.11 71.07 153.72 21.83 -29.76 22.01 21.88 -31.27 21.77 coo 57.12 70.68 155.10 57.52 69.95 155.02 26.20 -32.54 22.39 26.37 -31.76 22.09 coo 60.62 73.13 154.21 59.05 74.26 153.35 25.24 -36.15 22.76 23.21 -36.44 22.19 coo 56.75 71.71 148.46 58.44 71.01 149.54 26.07 -36.88 17.25 24.74 -37.15 18.88 1dub_c05 source 1dub 2-ENOYL-COA HYDRATASE : 1 hits 1dub_c05 naa= 4 ULMN 4 1f6d_c00 UDP-N-ACETYLGLUCOSAMINE 2-EPIMERASE user 1 4 # 1 A 95 ASP A 62 ASP^? -3.71 O1 EDO A 104s A 117 GLU A 64 GLU~? 12.93 C1 EDO A 102 A 131 GLU A 36 GLU.? 4.60 C2 EDO A 104 A 213 HIS A 73 HIS~? -4.02 O2 EDO A 105s coo 46.83 58.85 1.64 47.10 59.61 -0.35 29.38 -36.88 23.98 30.56 -38.20 22.76 coo 53.79 54.48 -1.23 52.45 55.58 -2.50 32.22 -28.58 19.32 33.17 -27.36 17.86 coo 44.71 62.22 -0.37 43.17 63.49 -1.03 25.24 -36.15 22.76 23.21 -36.44 22.19 coo 48.73 68.19 -10.10 50.09 67.84 -8.53 17.06 -30.49 26.75 15.82 -32.02 27.49 ULMN 4 1f6d_c00 UDP-N-ACETYLGLUCOSAMINE 2-EPIMERASE user 2 4 # 2 A 95 ASP A 62 ASP^? -3.71 O1 EDO A 104s A 117 GLU A 64 GLU~? 12.93 C1 EDO A 102 A 131 GLU A 36 GLU.? 4.60 C2 EDO A 104 A 213 HIS A 76 HIS~? 3.91 O2 EDO A 102s coo 46.83 58.85 1.64 47.10 59.61 -0.35 29.38 -36.88 23.98 30.56 -38.20 22.76 coo 53.79 54.48 -1.23 52.45 55.58 -2.50 32.22 -28.58 19.32 33.17 -27.36 17.86 coo 44.71 62.22 -0.37 43.17 63.49 -1.03 25.24 -36.15 22.76 23.21 -36.44 22.19 coo 48.73 68.19 -10.10 50.09 67.84 -8.53 20.68 -25.44 29.29 22.44 -24.37 29.64 ULMN 4 1f6d_c00 UDP-N-ACETYLGLUCOSAMINE 2-EPIMERASE user 3 4 # 3 A 95 ASP A 65 ASP~? 10.10 C1 EDO A 104 A 117 GLU A 64 GLU~? 12.93 C1 EDO A 102 A 131 GLU A 36 GLU.? 4.60 C2 EDO A 104 A 213 HIS A 73 HIS~? -4.02 O2 EDO A 105s coo 46.83 58.85 1.64 47.10 59.61 -0.35 26.58 -32.44 17.88 27.18 -32.00 15.88 coo 53.79 54.48 -1.23 52.45 55.58 -2.50 32.22 -28.58 19.32 33.17 -27.36 17.86 coo 44.71 62.22 -0.37 43.17 63.49 -1.03 25.24 -36.15 22.76 23.21 -36.44 22.19 coo 48.73 68.19 -10.10 50.09 67.84 -8.53 17.06 -30.49 26.75 15.82 -32.02 27.49 ULMN 4 1f6d_c00 UDP-N-ACETYLGLUCOSAMINE 2-EPIMERASE user 4 4 # 4 A 95 ASP A 65 ASP~? 10.10 C1 EDO A 104 A 117 GLU A 64 GLU~? 12.93 C1 EDO A 102 A 131 GLU A 36 GLU.? 4.60 C2 EDO A 104 A 213 HIS A 76 HIS~? 3.91 O2 EDO A 102s coo 46.83 58.85 1.64 47.10 59.61 -0.35 26.58 -32.44 17.88 27.18 -32.00 15.88 coo 53.79 54.48 -1.23 52.45 55.58 -2.50 32.22 -28.58 19.32 33.17 -27.36 17.86 coo 44.71 62.22 -0.37 43.17 63.49 -1.03 25.24 -36.15 22.76 23.21 -36.44 22.19 coo 48.73 68.19 -10.10 50.09 67.84 -8.53 20.68 -25.44 29.29 22.44 -24.37 29.64 1f6d_c00 source 1f6d UDP-N-ACETYLGLUCOSAMINE 2-EPIMERASE : 4 hits 1f6d_c00 naa= 4 ULMN 4 1f6d_c01 UDP-N-ACETYLGLUCOSAMINE 2-EPIMERASE user 1 4 # 1 B 95 ASP A 65 ASP~? 10.10 C1 EDO A 104 B 117 GLU A 64 GLU~? 12.93 C1 EDO A 102 B 131 GLU B 36 GLU.? 4.68 C1 EDO A 104 B 213 HIS B 73 HIS~? 5.11 C2 EDO A 104 coo 39.14 56.64 24.68 38.62 56.32 26.77 26.58 -32.44 17.88 27.18 -32.00 15.88 coo 40.54 62.45 29.38 39.23 60.98 30.16 32.22 -28.58 19.32 33.17 -27.36 17.86 coo 38.13 52.78 25.48 37.33 50.83 25.51 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 35.79 48.48 32.46 36.87 50.29 32.45 21.13 -40.83 20.13 19.87 -39.36 20.93 1f6d_c01 source 1f6d UDP-N-ACETYLGLUCOSAMINE 2-EPIMERASE : 1 hits 1f6d_c01 naa= 4 ULMN 4 1f6d_c03 UDP-N-ACETYLGLUCOSAMINE 2-EPIMERASE user 1 4 # 1 D 95 ASP A 62 ASP^? -3.71 O1 EDO A 104s D 117 GLU A 64 GLU~? 12.93 C1 EDO A 102 D 131 GLU A 36 GLU.? 4.60 C2 EDO A 104 D 213 HIS A 76 HIS~? 3.91 O2 EDO A 102s coo 60.45 59.04 95.56 60.08 59.57 97.62 29.38 -36.88 23.98 30.56 -38.20 22.76 coo 53.51 54.68 98.43 54.65 55.64 99.96 32.22 -28.58 19.32 33.17 -27.36 17.86 coo 62.34 62.21 97.48 63.80 63.61 98.07 25.24 -36.15 22.76 23.21 -36.44 22.19 coo 57.94 68.02 108.20 56.70 67.43 106.62 20.68 -25.44 29.29 22.44 -24.37 29.64 1f6d_c03 source 1f6d UDP-N-ACETYLGLUCOSAMINE 2-EPIMERASE : 1 hits 1f6d_c03 naa= 4 ULMN 4 1mdr_c00 MANDELATE RACEMASE (E.C.5.1.2.2) user 1 4 # 1 166 LYS A 38 LYS^? -2.86 O1 EDO A 104s 270 ASP B 75 ASP~? 7.34 C2 EDO A 105 297 HIS B 73 HIS~? 5.11 C2 EDO A 104 317 GLU B 36 GLU.? 4.68 C1 EDO A 104 coo 27.27 1.43 25.09 29.18 5.25 22.89 27.72 -37.88 30.49 27.16 -40.68 26.03 coo 29.40 9.25 9.79 31.51 9.14 10.05 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 29.05 8.65 14.00 30.25 7.04 14.30 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 29.25 11.66 19.43 29.42 9.79 18.51 26.07 -36.88 17.25 24.74 -37.15 18.88 1mdr_c00 source 1mdr MANDELATE RACEMASE (E.C.5.1.2.2) : 1 hits 1mdr_c00 naa= 4 ULMN 4 1pix_c01 GLUTACONYL-COA DECARBOXYLASE A SUBUNuser 1 4 # 1 B 151 VAL A 23 VAL~? 8.11 C4 NBZ A 112 B 194 GLY A 43 GLY^? 5.95 O1 EDO A 106 B 417 ILE B 6 ILE^? 10.47 OXT ACT B 102 B 457 ALA B 59 ALA^? 5.57 O ACT B 102 coo 52.95 126.71 13.21 51.34 125.24 13.19 18.63 -23.49 42.19 20.13 -21.99 41.58 coo 50.40 126.23 20.48 50.46 127.00 20.75 26.99 -26.96 44.48 27.26 -26.41 43.98 coo 68.38 85.45 19.33 67.41 85.52 20.41 23.46 -46.57 2.57 23.33 -46.25 1.20 coo 65.50 91.13 17.77 64.65 89.88 18.00 22.18 -40.83 7.36 22.16 -41.54 8.73 ULMN 4 1pix_c01 GLUTACONYL-COA DECARBOXYLASE A SUBUNuser 2 4 # 2 B 151 VAL B 20 VAL~? 9.31 O2 EDO B 104 B 194 GLY B 43 GLY^? -3.41 O2 EDO B 104s B 417 ILE A 6 ILE^? 8.57 O2 NBZ A 112 B 457 ALA A 59 ALA^? 4.61 O2 EDO A 103 coo 52.95 126.71 13.21 51.34 125.24 13.19 6.26 -50.17 7.68 6.80 -50.51 5.56 coo 50.40 126.23 20.48 50.46 127.00 20.75 11.57 -44.51 2.72 12.18 -45.02 2.64 coo 68.38 85.45 19.33 67.41 85.52 20.41 33.29 -24.84 34.52 34.31 -25.26 35.42 coo 65.50 91.13 17.77 64.65 89.88 18.00 28.61 -30.57 32.81 27.41 -29.88 32.12 ULMN 4 1pix_c01 GLUTACONYL-COA DECARBOXYLASE A SUBUNuser 3 4 # 3 B 151 VAL B 20 VAL~? 9.31 O2 EDO B 104 B 194 GLY B 43 GLY^? -3.41 O2 EDO B 104s B 417 ILE A 83 ILE~? 4.98 C5 NBZ A 112 B 457 ALA A 79 ALA~? 4.05 C4 NBZ A 112 coo 52.95 126.71 13.21 51.34 125.24 13.19 6.26 -50.17 7.68 6.80 -50.51 5.56 coo 50.40 126.23 20.48 50.46 127.00 20.75 11.57 -44.51 2.72 12.18 -45.02 2.64 coo 68.38 85.45 19.33 67.41 85.52 20.41 20.49 -19.22 37.24 21.47 -20.11 37.37 coo 65.50 91.13 17.77 64.65 89.88 18.00 17.25 -23.53 34.48 18.31 -24.67 34.48 1pix_c01 source 1pix GLUTACONYL-COA DECARBOXYLASE A SUBUNIT : 3 hits 1pix_c01 naa= 4 ULMN 4 1pix_c02 GLUTACONYL-COA DECARBOXYLASE A SUBUNuser 1 4 # 1 A 457 ALA B 56 ALA^? 8.94 O2 EDO B 104 A 458 ALA B 7 ALA^? 5.66 OXT ACT B 102 B 193 ALA B 44 ALA^? 6.45 O2 EDO B 104 B 194 GLY B 43 GLY^? -3.41 O2 EDO B 104s coo 43.27 124.32 20.47 43.79 125.29 21.53 16.28 -47.46 2.65 16.71 -46.74 1.32 coo 39.57 123.53 20.89 38.42 124.25 20.20 21.07 -49.33 5.22 20.64 -49.53 6.65 coo 47.95 129.15 20.31 47.81 128.95 18.79 9.93 -47.45 0.99 8.44 -47.74 1.14 coo 50.40 126.23 20.48 50.46 127.00 20.75 11.57 -44.51 2.72 12.18 -45.02 2.64 1pix_c02 source 1pix GLUTACONYL-COA DECARBOXYLASE A SUBUNIT : 1 hits 1pix_c02 naa= 4 ULMN 4 1pix_c03 GLUTACONYL-COA DECARBOXYLASE A SUBUNuser 1 4 # 1 A 193 ALA B 44 ALA^? 6.45 O2 EDO B 104 A 194 GLY B 43 GLY^? -3.41 O2 EDO B 104s B 457 ALA B 56 ALA^? 8.94 O2 EDO B 104 B 458 ALA B 7 ALA^? 5.66 OXT ACT B 102 coo 61.89 87.20 13.50 62.59 88.00 12.38 9.93 -47.45 0.99 8.44 -47.74 1.14 coo 59.34 89.99 13.88 59.24 89.18 13.73 11.57 -44.51 2.72 12.18 -45.02 2.64 coo 65.50 91.13 17.77 64.65 89.88 18.00 16.28 -47.46 2.65 16.71 -46.74 1.32 coo 68.56 91.15 20.03 69.95 90.68 19.64 21.07 -49.33 5.22 20.64 -49.53 6.65 1pix_c03 source 1pix GLUTACONYL-COA DECARBOXYLASE A SUBUNIT : 1 hits 1pix_c03 naa= 4 ULMN 4 1qho_c06 ALPHA-AMYLASE user 1 4 # 1 A 228 ASP B 65 ASP~? 10.18 C1 EDO A 104 A 256 GLU B 36 GLU.? 4.68 C1 EDO A 104 A 258 TYR B 70 TYR~? -4.61 O ACT B 102s A 329 ASP B 72 ASP~? -3.91 O2 EDO A 104s coo 28.46 69.88 26.74 30.40 70.70 26.53 33.69 -38.88 16.48 35.60 -39.38 17.27 coo 30.54 71.65 32.58 31.73 72.26 30.92 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 34.49 75.01 33.70 36.97 73.92 34.33 23.57 -42.42 13.63 21.81 -43.83 12.00 coo 37.87 70.12 31.80 36.61 69.74 30.15 26.38 -44.91 20.83 26.53 -45.26 22.94 1qho_c06 source 1qho ALPHA-AMYLASE : 1 hits 1qho_c06 naa= 4 ULMN 4 1r1j_c00 NEPRILYSIN user 1 4 # 1 A 584 GLU A 36 GLU.? 4.60 C2 EDO A 104 A 650 ASP B 72 ASP~? -3.91 O2 EDO A 104s A 711 HIS B 76 HIS~? -3.94 OXT ACT B 102s A 717 ARG B 77 ARG~? 7.48 O2 EDO A 104 coo 29.33 48.80 29.17 29.00 46.74 29.48 25.24 -36.15 22.76 23.21 -36.44 22.19 coo 38.62 44.38 31.99 36.86 43.62 32.96 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 31.96 38.97 33.59 30.29 39.94 32.77 20.42 -45.46 15.69 21.14 -46.68 14.13 coo 36.26 41.03 36.49 33.98 42.25 34.87 21.83 -48.69 21.52 20.83 -47.48 24.21 ULMN 4 1r1j_c00 NEPRILYSIN user 2 4 # 2 A 584 GLU B 36 GLU.? 4.68 C1 EDO A 104 A 650 ASP B 72 ASP~? -3.91 O2 EDO A 104s A 711 HIS B 76 HIS~? -3.94 OXT ACT B 102s A 717 ARG B 77 ARG~? 7.48 O2 EDO A 104 coo 29.33 48.80 29.17 29.00 46.74 29.48 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 38.62 44.38 31.99 36.86 43.62 32.96 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 31.96 38.97 33.59 30.29 39.94 32.77 20.42 -45.46 15.69 21.14 -46.68 14.13 coo 36.26 41.03 36.49 33.98 42.25 34.87 21.83 -48.69 21.52 20.83 -47.48 24.21 1r1j_c00 source 1r1j NEPRILYSIN : 2 hits 1r1j_c00 naa= 4 ULMN 4 1rbn_c00 RIBONUCLEASE A (E.C.3.1.27.5) DERIVAuser 1 4 # 1 A 12 HIS B 5 HIS^? 5.90 OXT ACT B 102 A 41 LYS B 38 LYS.? 11.73 C1 EDO B 105 A 119 HIS B 76 HIS~? -3.94 OXT ACT B 102s A 120 PHE B 67 PHE~? 9.52 OXT ACT B 102 coo 27.25 41.76 -6.97 28.67 40.32 -7.25 24.56 -45.54 8.01 23.59 -47.34 8.47 coo 35.53 36.24 -0.58 31.10 37.46 -4.56 23.51 -33.84 9.67 26.45 -31.79 13.35 coo 26.49 34.97 -12.73 26.25 33.07 -12.07 20.42 -45.46 15.69 21.14 -46.68 14.13 coo 29.34 43.00 -10.61 30.05 45.63 -10.87 29.04 -44.24 11.72 28.04 -46.76 11.25 1rbn_c00 source 1rbn RIBONUCLEASE A (E.C.3.1.27.5) DERIVATIVE II CO: 1 hits 1rbn_c00 naa= 4 ULMN 4 1ro7_c00 ALPHA-2,3/8-SIALYLTRANSFERASE user 1 4 # 1 A 129 ARG A 77 ARG~? 12.24 O2 EDO A 105 A 156 TYR A 70 TYR~? 4.47 O2 EDO A 103s A 162 TYR A 40 TYR^? -3.88 C2 EDO A 103s A 188 HIS A 76 HIS~? 3.91 O2 EDO A 102s coo 13.26 -3.59 9.83 13.09 -6.11 8.08 15.52 -22.75 25.33 12.48 -23.17 25.81 coo 24.49 1.42 8.60 23.51 -0.13 10.72 23.80 -29.17 27.91 24.12 -28.60 30.60 coo 29.93 -1.69 13.68 27.68 -2.80 12.45 24.80 -33.38 35.92 22.50 -34.77 36.54 coo 18.14 -0.38 8.50 17.55 -1.78 9.95 20.68 -25.44 29.29 22.44 -24.37 29.64 1ro7_c00 source 1ro7 ALPHA-2,3/8-SIALYLTRANSFERASE : 1 hits 1ro7_c00 naa= 4 ULMN 4 1ro7_c02 ALPHA-2,3/8-SIALYLTRANSFERASE user 1 4 # 1 C 129 ARG A 77 ARG~? 12.24 O2 EDO A 105 C 156 TYR A 70 TYR~? 4.47 O2 EDO A 103s C 162 TYR A 40 TYR^? -3.88 C2 EDO A 103s C 188 HIS A 73 HIS~? -4.02 O2 EDO A 105s coo -21.93 -12.96 3.85 -20.61 -15.55 2.86 15.52 -22.75 25.33 12.48 -23.17 25.81 coo -26.79 -5.72 -5.03 -24.66 -5.47 -3.25 23.80 -29.17 27.91 24.12 -28.60 30.60 coo -21.39 -0.36 -7.59 -20.89 -2.89 -6.49 24.80 -33.38 35.92 22.50 -34.77 36.54 coo -25.74 -10.27 -0.74 -23.71 -9.75 -0.67 17.06 -30.49 26.75 15.82 -32.02 27.49 ULMN 4 1ro7_c02 ALPHA-2,3/8-SIALYLTRANSFERASE user 2 4 # 2 C 129 ARG A 77 ARG~? 12.24 O2 EDO A 105 C 156 TYR A 70 TYR~? 4.47 O2 EDO A 103s C 162 TYR A 40 TYR^? -3.88 C2 EDO A 103s C 188 HIS A 76 HIS~? 3.91 O2 EDO A 102s coo -21.93 -12.96 3.85 -20.61 -15.55 2.86 15.52 -22.75 25.33 12.48 -23.17 25.81 coo -26.79 -5.72 -5.03 -24.66 -5.47 -3.25 23.80 -29.17 27.91 24.12 -28.60 30.60 coo -21.39 -0.36 -7.59 -20.89 -2.89 -6.49 24.80 -33.38 35.92 22.50 -34.77 36.54 coo -25.74 -10.27 -0.74 -23.71 -9.75 -0.67 20.68 -25.44 29.29 22.44 -24.37 29.64 1ro7_c02 source 1ro7 ALPHA-2,3/8-SIALYLTRANSFERASE : 2 hits 1ro7_c02 naa= 4 ULMN 4 1rpx_c03 RIBULOSE-PHOSPHATE 3-EPIMERASE user 1 4 # 1 A 41 HIS A 73 HIS~? -4.02 O2 EDO A 105s A 43 ASP A 72 ASP~? 9.41 O1 EDO A 102 A 74 HIS A 76 HIS~? 3.91 O2 EDO A 102s A 185 ASP A 75 ASP~? -3.37 CL CL A 101s coo 27.18 71.98 22.91 26.19 71.28 21.20 17.06 -30.49 26.75 15.82 -32.02 27.49 coo 31.38 70.47 18.87 29.95 71.93 19.26 19.04 -26.10 21.93 20.11 -24.78 20.72 coo 26.06 68.61 17.65 25.72 69.17 15.65 20.68 -25.44 29.29 22.44 -24.37 29.64 coo 24.70 75.42 18.17 26.81 75.34 18.23 16.12 -29.42 31.11 14.94 -31.11 31.50 ULMN 4 1rpx_c03 RIBULOSE-PHOSPHATE 3-EPIMERASE user 2 4 # 2 A 41 HIS A 73 HIS~? -4.02 O2 EDO A 105s A 43 ASP A 75 ASP~? -3.37 CL CL A 101s A 74 HIS A 76 HIS~? 3.91 O2 EDO A 102s A 185 ASP A 72 ASP~? 9.41 O1 EDO A 102 coo 27.18 71.98 22.91 26.19 71.28 21.20 17.06 -30.49 26.75 15.82 -32.02 27.49 coo 31.38 70.47 18.87 29.95 71.93 19.26 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 26.06 68.61 17.65 25.72 69.17 15.65 20.68 -25.44 29.29 22.44 -24.37 29.64 coo 24.70 75.42 18.17 26.81 75.34 18.23 19.04 -26.10 21.93 20.11 -24.78 20.72 ULMN 4 1rpx_c03 RIBULOSE-PHOSPHATE 3-EPIMERASE user 3 4 # 3 A 41 HIS A 76 HIS~? 3.91 O2 EDO A 102s A 43 ASP A 75 ASP~? -3.37 CL CL A 101s A 74 HIS A 73 HIS~? -4.02 O2 EDO A 105s A 185 ASP A 72 ASP~? 9.41 O1 EDO A 102 coo 27.18 71.98 22.91 26.19 71.28 21.20 20.68 -25.44 29.29 22.44 -24.37 29.64 coo 31.38 70.47 18.87 29.95 71.93 19.26 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 26.06 68.61 17.65 25.72 69.17 15.65 17.06 -30.49 26.75 15.82 -32.02 27.49 coo 24.70 75.42 18.17 26.81 75.34 18.23 19.04 -26.10 21.93 20.11 -24.78 20.72 1rpx_c03 source 1rpx RIBULOSE-PHOSPHATE 3-EPIMERASE : 3 hits 1rpx_c03 naa= 4 ULMN 4 1rpx_c04 RIBULOSE-PHOSPHATE 3-EPIMERASE user 1 4 # 1 B 41 HIS A 73 HIS~? -4.02 O2 EDO A 105s B 43 ASP A 72 ASP~? 9.41 O1 EDO A 102 B 74 HIS A 76 HIS~? 3.91 O2 EDO A 102s B 185 ASP A 75 ASP~? -3.37 CL CL A 101s coo 24.50 75.09 -19.51 23.89 74.34 -17.66 17.06 -30.49 26.75 15.82 -32.02 27.49 coo 26.91 69.57 -18.85 25.09 70.47 -19.25 19.04 -26.10 21.93 20.11 -24.78 20.72 coo 24.59 71.76 -14.04 23.29 70.30 -13.26 20.68 -25.44 29.29 22.44 -24.37 29.64 coo 19.05 72.11 -18.25 20.45 70.96 -19.39 16.12 -29.42 31.11 14.94 -31.11 31.50 ULMN 4 1rpx_c04 RIBULOSE-PHOSPHATE 3-EPIMERASE user 2 4 # 2 B 41 HIS A 73 HIS~? -4.02 O2 EDO A 105s B 43 ASP A 75 ASP~? -3.37 CL CL A 101s B 74 HIS A 76 HIS~? 3.91 O2 EDO A 102s B 185 ASP A 72 ASP~? 9.41 O1 EDO A 102 coo 24.50 75.09 -19.51 23.89 74.34 -17.66 17.06 -30.49 26.75 15.82 -32.02 27.49 coo 26.91 69.57 -18.85 25.09 70.47 -19.25 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 24.59 71.76 -14.04 23.29 70.30 -13.26 20.68 -25.44 29.29 22.44 -24.37 29.64 coo 19.05 72.11 -18.25 20.45 70.96 -19.39 19.04 -26.10 21.93 20.11 -24.78 20.72 ULMN 4 1rpx_c04 RIBULOSE-PHOSPHATE 3-EPIMERASE user 3 4 # 3 B 41 HIS A 76 HIS~? 3.91 O2 EDO A 102s B 43 ASP A 75 ASP~? -3.37 CL CL A 101s B 74 HIS A 73 HIS~? -4.02 O2 EDO A 105s B 185 ASP A 72 ASP~? 9.41 O1 EDO A 102 coo 24.50 75.09 -19.51 23.89 74.34 -17.66 20.68 -25.44 29.29 22.44 -24.37 29.64 coo 26.91 69.57 -18.85 25.09 70.47 -19.25 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 24.59 71.76 -14.04 23.29 70.30 -13.26 17.06 -30.49 26.75 15.82 -32.02 27.49 coo 19.05 72.11 -18.25 20.45 70.96 -19.39 19.04 -26.10 21.93 20.11 -24.78 20.72 1rpx_c04 source 1rpx RIBULOSE-PHOSPHATE 3-EPIMERASE : 3 hits 1rpx_c04 naa= 4 ULMN 4 1rpx_c05 RIBULOSE-PHOSPHATE 3-EPIMERASE user 1 4 # 1 C 41 HIS A 73 HIS~? -4.02 O2 EDO A 105s C 43 ASP A 72 ASP~? 9.41 O1 EDO A 102 C 74 HIS A 76 HIS~? 3.91 O2 EDO A 102s C 185 ASP A 75 ASP~? -3.37 CL CL A 101s coo 7.25 41.55 0.57 8.02 43.50 0.47 17.06 -30.49 26.75 15.82 -32.02 27.49 coo 12.91 41.40 2.63 11.01 42.07 3.21 19.04 -26.10 21.93 20.11 -24.78 20.72 coo 11.42 46.38 0.05 11.97 47.90 1.39 20.68 -25.44 29.29 22.44 -24.37 29.64 coo 6.41 46.06 4.90 7.75 44.49 5.43 16.12 -29.42 31.11 14.94 -31.11 31.50 ULMN 4 1rpx_c05 RIBULOSE-PHOSPHATE 3-EPIMERASE user 2 4 # 2 C 41 HIS A 73 HIS~? -4.02 O2 EDO A 105s C 43 ASP A 75 ASP~? -3.37 CL CL A 101s C 74 HIS A 76 HIS~? 3.91 O2 EDO A 102s C 185 ASP A 72 ASP~? 9.41 O1 EDO A 102 coo 7.25 41.55 0.57 8.02 43.50 0.47 17.06 -30.49 26.75 15.82 -32.02 27.49 coo 12.91 41.40 2.63 11.01 42.07 3.21 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 11.42 46.38 0.05 11.97 47.90 1.39 20.68 -25.44 29.29 22.44 -24.37 29.64 coo 6.41 46.06 4.90 7.75 44.49 5.43 19.04 -26.10 21.93 20.11 -24.78 20.72 ULMN 4 1rpx_c05 RIBULOSE-PHOSPHATE 3-EPIMERASE user 3 4 # 3 C 41 HIS A 76 HIS~? 3.91 O2 EDO A 102s C 43 ASP A 75 ASP~? -3.37 CL CL A 101s C 74 HIS A 73 HIS~? -4.02 O2 EDO A 105s C 185 ASP A 72 ASP~? 9.41 O1 EDO A 102 coo 7.25 41.55 0.57 8.02 43.50 0.47 20.68 -25.44 29.29 22.44 -24.37 29.64 coo 12.91 41.40 2.63 11.01 42.07 3.21 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 11.42 46.38 0.05 11.97 47.90 1.39 17.06 -30.49 26.75 15.82 -32.02 27.49 coo 6.41 46.06 4.90 7.75 44.49 5.43 19.04 -26.10 21.93 20.11 -24.78 20.72 1rpx_c05 source 1rpx RIBULOSE-PHOSPHATE 3-EPIMERASE : 3 hits 1rpx_c05 naa= 4 ULMN 3 12as_c00 ASPARAGINE SYNTHETASE user 1 3 # 1 A 46 ASP A 60 ASP^? 9.96 C2 EDO A 103 A 100 ARG A 4 ARG^? 11.15 O1 EDO A 106 A 116 GLN A 94 GLN^? 4.68 C1 EDO A 102 coo 32.24 20.09 5.34 30.38 19.04 5.27 31.34 -34.21 31.28 32.49 -33.56 32.90 coo 26.40 25.34 6.28 26.15 22.33 7.25 35.29 -30.48 33.81 35.42 -33.13 35.27 coo 26.74 21.94 13.78 27.57 20.97 12.08 32.05 -24.90 27.25 31.50 -22.83 27.13 ULMN 3 12as_c00 ASPARAGINE SYNTHETASE user 2 3 # 2 A 46 ASP A 75 ASP~? -3.37 CL CL A 101s A 100 ARG A 77 ARG~? 12.24 O2 EDO A 105 A 116 GLN A 71 GLN~? -4.00 O1 EDO A 102s coo 32.24 20.09 5.34 30.38 19.04 5.27 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 26.40 25.34 6.28 26.15 22.33 7.25 15.52 -22.75 25.33 12.48 -23.17 25.81 coo 26.74 21.94 13.78 27.57 20.97 12.08 24.64 -24.43 24.90 25.74 -23.20 23.58 ULMN 3 12as_c00 ASPARAGINE SYNTHETASE user 3 3 # 3 A 46 ASP B 60 ASP^? 5.67 C1 EDO B 105 A 100 ARG B 4 ARG^? 5.32 O2 EDO B 105 A 116 GLN B 94 GLN^? 10.06 OXT ACT B 102 coo 32.24 20.09 5.34 30.38 19.04 5.27 24.76 -37.09 5.99 24.21 -37.69 4.07 coo 26.40 25.34 6.28 26.15 22.33 7.25 25.02 -40.81 1.35 23.83 -38.19 0.28 coo 26.74 21.94 13.78 27.57 20.97 12.08 28.74 -46.41 7.61 28.49 -48.49 8.10 12as_c00 source 12as ASPARAGINE SYNTHETASE : 3 hits 12as_c00 naa= 3 ULMN 3 12as_c01 ASPARAGINE SYNTHETASE user 1 3 # 1 B 46 ASP A 75 ASP~? -3.37 CL CL A 101s B 100 ARG A 77 ARG~? 12.24 O2 EDO A 105 B 116 GLN A 71 GLN~? -4.00 O1 EDO A 102s coo 32.18 48.37 12.48 33.96 49.46 12.97 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 39.04 43.25 11.37 38.30 45.35 13.56 15.52 -22.75 25.33 12.48 -23.17 25.81 coo 37.43 42.63 19.41 36.76 44.08 17.97 24.64 -24.43 24.90 25.74 -23.20 23.58 12as_c01 source 12as ASPARAGINE SYNTHETASE : 1 hits 12as_c01 naa= 3 ULMN 3 1a05_c00 3-ISOPROPYLMALATE DEHYDROGENASE user 1 3 # 1 A 140 TYR A -3 TYR.? 8.43 O1 EDO A 104 B 190 LYS A 38 LYS^? -2.86 O1 EDO A 104s B 222 ASP A 62 ASP^? -3.71 O1 EDO A 104s coo 7.17 16.59 41.26 8.01 19.20 40.73 32.49 -44.83 26.57 32.70 -46.37 24.23 coo 13.38 20.00 35.06 11.43 22.49 39.53 27.72 -37.88 30.49 27.16 -40.68 26.03 coo 9.76 26.58 38.10 11.63 25.78 38.76 29.38 -36.88 23.98 30.56 -38.20 22.76 ULMN 3 1a05_c00 3-ISOPROPYLMALATE DEHYDROGENASE user 2 3 # 2 A 140 TYR A 40 TYR^? -3.88 C2 EDO A 103s B 190 LYS A 29 LYS~? 12.54 CL CL A 101 B 222 ASP A 75 ASP~? -3.37 CL CL A 101s coo 7.17 16.59 41.26 8.01 19.20 40.73 24.80 -33.38 35.92 22.50 -34.77 36.54 coo 13.38 20.00 35.06 11.43 22.49 39.53 15.40 -32.05 38.28 11.66 -33.59 43.11 coo 9.76 26.58 38.10 11.63 25.78 38.76 16.12 -29.42 31.11 14.94 -31.11 31.50 ULMN 3 1a05_c00 3-ISOPROPYLMALATE DEHYDROGENASE user 3 3 # 3 A 140 TYR A 70 TYR~? 4.47 O2 EDO A 103s B 190 LYS A 38 LYS^? -2.86 O1 EDO A 104s B 222 ASP A 62 ASP^? -3.71 O1 EDO A 104s coo 7.17 16.59 41.26 8.01 19.20 40.73 23.80 -29.17 27.91 24.12 -28.60 30.60 coo 13.38 20.00 35.06 11.43 22.49 39.53 27.72 -37.88 30.49 27.16 -40.68 26.03 coo 9.76 26.58 38.10 11.63 25.78 38.76 29.38 -36.88 23.98 30.56 -38.20 22.76 ULMN 3 1a05_c00 3-ISOPROPYLMALATE DEHYDROGENASE user 4 3 # 4 A 140 TYR B -3 TYR.? 10.66 O1 EDO B 105 B 190 LYS B 38 LYS.? 11.73 C1 EDO B 105 B 222 ASP A 65 ASP~? 10.10 C1 EDO A 104 coo 7.17 16.59 41.26 8.01 19.20 40.73 29.92 -26.53 7.69 32.12 -25.42 8.96 coo 13.38 20.00 35.06 11.43 22.49 39.53 23.51 -33.84 9.67 26.45 -31.79 13.35 coo 9.76 26.58 38.10 11.63 25.78 38.76 26.58 -32.44 17.88 27.18 -32.00 15.88 ULMN 3 1a05_c00 3-ISOPROPYLMALATE DEHYDROGENASE user 5 3 # 5 A 140 TYR B 40 TYR^? 4.63 O ACT B 102s B 190 LYS B 29 LYS~? 12.18 O1 EDO B 104 B 222 ASP B 75 ASP~? 7.34 C2 EDO A 105 coo 7.17 16.59 41.26 8.01 19.20 40.73 17.73 -39.49 9.16 17.04 -42.03 10.10 coo 13.38 20.00 35.06 11.43 22.49 39.53 11.33 -38.31 14.91 6.22 -40.97 17.66 coo 9.76 26.58 38.10 11.63 25.78 38.76 16.30 -41.75 19.83 15.36 -40.72 21.44 ULMN 3 1a05_c00 3-ISOPROPYLMALATE DEHYDROGENASE user 6 3 # 6 A 140 TYR B 70 TYR~? -4.61 O ACT B 102s B 190 LYS B 38 LYS.? 11.73 C1 EDO B 105 B 222 ASP A 65 ASP~? 10.10 C1 EDO A 104 coo 7.17 16.59 41.26 8.01 19.20 40.73 23.57 -42.42 13.63 21.81 -43.83 12.00 coo 13.38 20.00 35.06 11.43 22.49 39.53 23.51 -33.84 9.67 26.45 -31.79 13.35 coo 9.76 26.58 38.10 11.63 25.78 38.76 26.58 -32.44 17.88 27.18 -32.00 15.88 ULMN 3 1a05_c00 3-ISOPROPYLMALATE DEHYDROGENASE user 7 3 # 7 A 140 TYR B 70 TYR~? -4.61 O ACT B 102s B 190 LYS B 38 LYS.? 11.73 C1 EDO B 105 B 222 ASP B 62 ASP^? 10.84 C1 EDO B 105 coo 7.17 16.59 41.26 8.01 19.20 40.73 23.57 -42.42 13.63 21.81 -43.83 12.00 coo 13.38 20.00 35.06 11.43 22.49 39.53 23.51 -33.84 9.67 26.45 -31.79 13.35 coo 9.76 26.58 38.10 11.63 25.78 38.76 30.23 -34.29 11.39 31.86 -33.00 11.08 1a05_c00 source 1a05 3-ISOPROPYLMALATE DEHYDROGENASE : 7 hits 1a05_c00 naa= 3 ULMN 3 1a05_c01 3-ISOPROPYLMALATE DEHYDROGENASE user 1 3 # 1 A 190 LYS A 29 LYS~? 12.54 CL CL A 101 A 222 ASP A 75 ASP~? -3.37 CL CL A 101s B 140 TYR A 40 TYR^? -3.88 C2 EDO A 103s coo -4.61 20.12 30.34 -2.74 22.65 25.95 15.40 -32.05 38.28 11.66 -33.59 43.11 coo -1.04 26.60 27.37 -2.94 25.93 26.69 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 1.51 16.60 24.17 0.82 19.23 24.79 24.80 -33.38 35.92 22.50 -34.77 36.54 ULMN 3 1a05_c01 3-ISOPROPYLMALATE DEHYDROGENASE user 2 3 # 2 A 190 LYS A 38 LYS^? -2.86 O1 EDO A 104s A 222 ASP A 62 ASP^? -3.71 O1 EDO A 104s B 140 TYR A -3 TYR.? 8.43 O1 EDO A 104 coo -4.61 20.12 30.34 -2.74 22.65 25.95 27.72 -37.88 30.49 27.16 -40.68 26.03 coo -1.04 26.60 27.37 -2.94 25.93 26.69 29.38 -36.88 23.98 30.56 -38.20 22.76 coo 1.51 16.60 24.17 0.82 19.23 24.79 32.49 -44.83 26.57 32.70 -46.37 24.23 ULMN 3 1a05_c01 3-ISOPROPYLMALATE DEHYDROGENASE user 3 3 # 3 A 190 LYS A 38 LYS^? -2.86 O1 EDO A 104s A 222 ASP A 62 ASP^? -3.71 O1 EDO A 104s B 140 TYR A 70 TYR~? 4.47 O2 EDO A 103s coo -4.61 20.12 30.34 -2.74 22.65 25.95 27.72 -37.88 30.49 27.16 -40.68 26.03 coo -1.04 26.60 27.37 -2.94 25.93 26.69 29.38 -36.88 23.98 30.56 -38.20 22.76 coo 1.51 16.60 24.17 0.82 19.23 24.79 23.80 -29.17 27.91 24.12 -28.60 30.60 ULMN 3 1a05_c01 3-ISOPROPYLMALATE DEHYDROGENASE user 4 3 # 4 A 190 LYS B 29 LYS~? 12.18 O1 EDO B 104 A 222 ASP B 75 ASP~? 7.34 C2 EDO A 105 B 140 TYR B 40 TYR^? 4.63 O ACT B 102s coo -4.61 20.12 30.34 -2.74 22.65 25.95 11.33 -38.31 14.91 6.22 -40.97 17.66 coo -1.04 26.60 27.37 -2.94 25.93 26.69 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 1.51 16.60 24.17 0.82 19.23 24.79 17.73 -39.49 9.16 17.04 -42.03 10.10 ULMN 3 1a05_c01 3-ISOPROPYLMALATE DEHYDROGENASE user 5 3 # 5 A 190 LYS B 38 LYS.? 11.73 C1 EDO B 105 A 222 ASP A 65 ASP~? 10.10 C1 EDO A 104 B 140 TYR B -3 TYR.? 10.66 O1 EDO B 105 coo -4.61 20.12 30.34 -2.74 22.65 25.95 23.51 -33.84 9.67 26.45 -31.79 13.35 coo -1.04 26.60 27.37 -2.94 25.93 26.69 26.58 -32.44 17.88 27.18 -32.00 15.88 coo 1.51 16.60 24.17 0.82 19.23 24.79 29.92 -26.53 7.69 32.12 -25.42 8.96 ULMN 3 1a05_c01 3-ISOPROPYLMALATE DEHYDROGENASE user 6 3 # 6 A 190 LYS B 38 LYS.? 11.73 C1 EDO B 105 A 222 ASP A 65 ASP~? 10.10 C1 EDO A 104 B 140 TYR B 70 TYR~? -4.61 O ACT B 102s coo -4.61 20.12 30.34 -2.74 22.65 25.95 23.51 -33.84 9.67 26.45 -31.79 13.35 coo -1.04 26.60 27.37 -2.94 25.93 26.69 26.58 -32.44 17.88 27.18 -32.00 15.88 coo 1.51 16.60 24.17 0.82 19.23 24.79 23.57 -42.42 13.63 21.81 -43.83 12.00 ULMN 3 1a05_c01 3-ISOPROPYLMALATE DEHYDROGENASE user 7 3 # 7 A 190 LYS B 38 LYS.? 11.73 C1 EDO B 105 A 222 ASP B 62 ASP^? 10.84 C1 EDO B 105 B 140 TYR B 70 TYR~? -4.61 O ACT B 102s coo -4.61 20.12 30.34 -2.74 22.65 25.95 23.51 -33.84 9.67 26.45 -31.79 13.35 coo -1.04 26.60 27.37 -2.94 25.93 26.69 30.23 -34.29 11.39 31.86 -33.00 11.08 coo 1.51 16.60 24.17 0.82 19.23 24.79 23.57 -42.42 13.63 21.81 -43.83 12.00 1a05_c01 source 1a05 3-ISOPROPYLMALATE DEHYDROGENASE : 7 hits 1a05_c01 naa= 3 ULMN 3 1a0j_c12 TRYPSIN user 1 3 # 1 A 57 HIS A 73 HIS~? -4.02 O2 EDO A 105s A 102 ASP A 75 ASP~? -3.37 CL CL A 101s A 193 GLY A 66 GLY~? 7.08 O1 EDO A 104 coo 25.57 41.22 61.68 24.18 39.98 62.50 17.06 -30.49 26.75 15.82 -32.02 27.49 coo 22.33 45.48 59.73 23.35 43.67 60.06 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 22.57 32.23 64.13 21.98 32.82 64.22 26.20 -32.54 22.39 26.37 -31.76 22.09 ULMN 3 1a0j_c12 TRYPSIN user 2 3 # 2 A 57 HIS A 76 HIS~? 3.91 O2 EDO A 102s A 102 ASP A 75 ASP~? -3.37 CL CL A 101s A 193 GLY A 66 GLY~? 7.08 O1 EDO A 104 coo 25.57 41.22 61.68 24.18 39.98 62.50 20.68 -25.44 29.29 22.44 -24.37 29.64 coo 22.33 45.48 59.73 23.35 43.67 60.06 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 22.57 32.23 64.13 21.98 32.82 64.22 26.20 -32.54 22.39 26.37 -31.76 22.09 ULMN 3 1a0j_c12 TRYPSIN user 3 3 # 3 A 57 HIS B 73 HIS~? 5.11 C2 EDO A 104 A 102 ASP B 72 ASP~? -3.91 O2 EDO A 104s A 193 GLY A 66 GLY~? 7.08 O1 EDO A 104 coo 25.57 41.22 61.68 24.18 39.98 62.50 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 22.33 45.48 59.73 23.35 43.67 60.06 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 22.57 32.23 64.13 21.98 32.82 64.22 26.20 -32.54 22.39 26.37 -31.76 22.09 ULMN 3 1a0j_c12 TRYPSIN user 4 3 # 4 A 57 HIS B 73 HIS~? 5.11 C2 EDO A 104 A 102 ASP B 75 ASP~? 7.34 C2 EDO A 105 A 193 GLY A 66 GLY~? 7.08 O1 EDO A 104 coo 25.57 41.22 61.68 24.18 39.98 62.50 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 22.33 45.48 59.73 23.35 43.67 60.06 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 22.57 32.23 64.13 21.98 32.82 64.22 26.20 -32.54 22.39 26.37 -31.76 22.09 ULMN 3 1a0j_c12 TRYPSIN user 5 3 # 5 A 57 HIS B 73 HIS~? 5.11 C2 EDO A 104 A 102 ASP B 75 ASP~? 7.34 C2 EDO A 105 A 193 GLY B 66 GLY~? 8.19 C1 EDO A 104 coo 25.57 41.22 61.68 24.18 39.98 62.50 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 22.33 45.48 59.73 23.35 43.67 60.06 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 22.57 32.23 64.13 21.98 32.82 64.22 29.58 -38.78 14.56 29.91 -39.54 14.52 ULMN 3 1a0j_c12 TRYPSIN user 6 3 # 6 A 57 HIS B 76 HIS~? -3.94 OXT ACT B 102s A 102 ASP B 75 ASP~? 7.34 C2 EDO A 105 A 193 GLY B 66 GLY~? 8.19 C1 EDO A 104 coo 25.57 41.22 61.68 24.18 39.98 62.50 20.42 -45.46 15.69 21.14 -46.68 14.13 coo 22.33 45.48 59.73 23.35 43.67 60.06 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 22.57 32.23 64.13 21.98 32.82 64.22 29.58 -38.78 14.56 29.91 -39.54 14.52 1a0j_c12 source 1a0j TRYPSIN : 6 hits 1a0j_c12 naa= 3 ULMN 3 1a0j_c13 TRYPSIN user 1 3 # 1 B 57 HIS A 73 HIS~? -4.02 O2 EDO A 105s B 102 ASP A 75 ASP~? -3.37 CL CL A 101s B 193 GLY A 66 GLY~? 7.08 O1 EDO A 104 coo 44.08 45.58 52.81 45.86 46.55 52.85 17.06 -30.49 26.75 15.82 -32.02 27.49 coo 43.04 44.75 47.18 43.31 45.51 49.13 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 50.46 51.91 56.90 50.65 51.62 56.14 26.20 -32.54 22.39 26.37 -31.76 22.09 ULMN 3 1a0j_c13 TRYPSIN user 2 3 # 2 B 57 HIS A 76 HIS~? 3.91 O2 EDO A 102s B 102 ASP A 75 ASP~? -3.37 CL CL A 101s B 193 GLY A 66 GLY~? 7.08 O1 EDO A 104 coo 44.08 45.58 52.81 45.86 46.55 52.85 20.68 -25.44 29.29 22.44 -24.37 29.64 coo 43.04 44.75 47.18 43.31 45.51 49.13 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 50.46 51.91 56.90 50.65 51.62 56.14 26.20 -32.54 22.39 26.37 -31.76 22.09 ULMN 3 1a0j_c13 TRYPSIN user 3 3 # 3 B 57 HIS B 73 HIS~? 5.11 C2 EDO A 104 B 102 ASP B 72 ASP~? -3.91 O2 EDO A 104s B 193 GLY A 66 GLY~? 7.08 O1 EDO A 104 coo 44.08 45.58 52.81 45.86 46.55 52.85 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 43.04 44.75 47.18 43.31 45.51 49.13 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 50.46 51.91 56.90 50.65 51.62 56.14 26.20 -32.54 22.39 26.37 -31.76 22.09 ULMN 3 1a0j_c13 TRYPSIN user 4 3 # 4 B 57 HIS B 73 HIS~? 5.11 C2 EDO A 104 B 102 ASP B 75 ASP~? 7.34 C2 EDO A 105 B 193 GLY A 66 GLY~? 7.08 O1 EDO A 104 coo 44.08 45.58 52.81 45.86 46.55 52.85 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 43.04 44.75 47.18 43.31 45.51 49.13 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 50.46 51.91 56.90 50.65 51.62 56.14 26.20 -32.54 22.39 26.37 -31.76 22.09 ULMN 3 1a0j_c13 TRYPSIN user 5 3 # 5 B 57 HIS B 73 HIS~? 5.11 C2 EDO A 104 B 102 ASP B 75 ASP~? 7.34 C2 EDO A 105 B 193 GLY B 66 GLY~? 8.19 C1 EDO A 104 coo 44.08 45.58 52.81 45.86 46.55 52.85 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 43.04 44.75 47.18 43.31 45.51 49.13 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 50.46 51.91 56.90 50.65 51.62 56.14 29.58 -38.78 14.56 29.91 -39.54 14.52 ULMN 3 1a0j_c13 TRYPSIN user 6 3 # 6 B 57 HIS B 76 HIS~? -3.94 OXT ACT B 102s B 102 ASP B 75 ASP~? 7.34 C2 EDO A 105 B 193 GLY B 66 GLY~? 8.19 C1 EDO A 104 coo 44.08 45.58 52.81 45.86 46.55 52.85 20.42 -45.46 15.69 21.14 -46.68 14.13 coo 43.04 44.75 47.18 43.31 45.51 49.13 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 50.46 51.91 56.90 50.65 51.62 56.14 29.58 -38.78 14.56 29.91 -39.54 14.52 1a0j_c13 source 1a0j TRYPSIN : 6 hits 1a0j_c13 naa= 3 ULMN 3 1a0j_c14 TRYPSIN user 1 3 # 1 C 57 HIS A 73 HIS~? -4.02 O2 EDO A 105s C 102 ASP A 75 ASP~? -3.37 CL CL A 101s C 193 GLY A 66 GLY~? 7.08 O1 EDO A 104 coo 34.37 41.18 73.21 34.04 43.09 73.87 17.06 -30.49 26.75 15.82 -32.02 27.49 coo 34.89 38.34 78.12 35.11 39.59 76.42 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 35.43 51.03 72.12 35.20 50.72 72.87 26.20 -32.54 22.39 26.37 -31.76 22.09 ULMN 3 1a0j_c14 TRYPSIN user 2 3 # 2 C 57 HIS A 76 HIS~? 3.91 O2 EDO A 102s C 102 ASP A 75 ASP~? -3.37 CL CL A 101s C 193 GLY A 66 GLY~? 7.08 O1 EDO A 104 coo 34.37 41.18 73.21 34.04 43.09 73.87 20.68 -25.44 29.29 22.44 -24.37 29.64 coo 34.89 38.34 78.12 35.11 39.59 76.42 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 35.43 51.03 72.12 35.20 50.72 72.87 26.20 -32.54 22.39 26.37 -31.76 22.09 ULMN 3 1a0j_c14 TRYPSIN user 3 3 # 3 C 57 HIS B 73 HIS~? 5.11 C2 EDO A 104 C 102 ASP B 72 ASP~? -3.91 O2 EDO A 104s C 193 GLY A 66 GLY~? 7.08 O1 EDO A 104 coo 34.37 41.18 73.21 34.04 43.09 73.87 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 34.89 38.34 78.12 35.11 39.59 76.42 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 35.43 51.03 72.12 35.20 50.72 72.87 26.20 -32.54 22.39 26.37 -31.76 22.09 ULMN 3 1a0j_c14 TRYPSIN user 4 3 # 4 C 57 HIS B 73 HIS~? 5.11 C2 EDO A 104 C 102 ASP B 75 ASP~? 7.34 C2 EDO A 105 C 193 GLY A 66 GLY~? 7.08 O1 EDO A 104 coo 34.37 41.18 73.21 34.04 43.09 73.87 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 34.89 38.34 78.12 35.11 39.59 76.42 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 35.43 51.03 72.12 35.20 50.72 72.87 26.20 -32.54 22.39 26.37 -31.76 22.09 ULMN 3 1a0j_c14 TRYPSIN user 5 3 # 5 C 57 HIS B 73 HIS~? 5.11 C2 EDO A 104 C 102 ASP B 75 ASP~? 7.34 C2 EDO A 105 C 193 GLY B 66 GLY~? 8.19 C1 EDO A 104 coo 34.37 41.18 73.21 34.04 43.09 73.87 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 34.89 38.34 78.12 35.11 39.59 76.42 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 35.43 51.03 72.12 35.20 50.72 72.87 29.58 -38.78 14.56 29.91 -39.54 14.52 ULMN 3 1a0j_c14 TRYPSIN user 6 3 # 6 C 57 HIS B 76 HIS~? -3.94 OXT ACT B 102s C 102 ASP B 75 ASP~? 7.34 C2 EDO A 105 C 193 GLY B 66 GLY~? 8.19 C1 EDO A 104 coo 34.37 41.18 73.21 34.04 43.09 73.87 20.42 -45.46 15.69 21.14 -46.68 14.13 coo 34.89 38.34 78.12 35.11 39.59 76.42 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 35.43 51.03 72.12 35.20 50.72 72.87 29.58 -38.78 14.56 29.91 -39.54 14.52 1a0j_c14 source 1a0j TRYPSIN : 6 hits 1a0j_c14 naa= 3 ULMN 3 1a0j_c15 TRYPSIN user 1 3 # 1 D 57 HIS A 73 HIS~? -4.02 O2 EDO A 105s D 102 ASP A 75 ASP~? -3.37 CL CL A 101s D 193 GLY A 66 GLY~? 7.08 O1 EDO A 104 coo 8.19 15.01 95.72 7.78 16.53 97.01 17.06 -30.49 26.75 15.82 -32.02 27.49 coo 13.53 16.28 93.98 11.45 16.21 94.40 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 1.80 21.25 100.04 2.61 21.42 100.18 26.20 -32.54 22.39 26.37 -31.76 22.09 ULMN 3 1a0j_c15 TRYPSIN user 2 3 # 2 D 57 HIS A 76 HIS~? 3.91 O2 EDO A 102s D 102 ASP A 75 ASP~? -3.37 CL CL A 101s D 193 GLY A 66 GLY~? 7.08 O1 EDO A 104 coo 8.19 15.01 95.72 7.78 16.53 97.01 20.68 -25.44 29.29 22.44 -24.37 29.64 coo 13.53 16.28 93.98 11.45 16.21 94.40 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 1.80 21.25 100.04 2.61 21.42 100.18 26.20 -32.54 22.39 26.37 -31.76 22.09 ULMN 3 1a0j_c15 TRYPSIN user 3 3 # 3 D 57 HIS B 73 HIS~? 5.11 C2 EDO A 104 D 102 ASP B 72 ASP~? -3.91 O2 EDO A 104s D 193 GLY A 66 GLY~? 7.08 O1 EDO A 104 coo 8.19 15.01 95.72 7.78 16.53 97.01 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 13.53 16.28 93.98 11.45 16.21 94.40 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 1.80 21.25 100.04 2.61 21.42 100.18 26.20 -32.54 22.39 26.37 -31.76 22.09 ULMN 3 1a0j_c15 TRYPSIN user 4 3 # 4 D 57 HIS B 73 HIS~? 5.11 C2 EDO A 104 D 102 ASP B 75 ASP~? 7.34 C2 EDO A 105 D 193 GLY A 66 GLY~? 7.08 O1 EDO A 104 coo 8.19 15.01 95.72 7.78 16.53 97.01 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 13.53 16.28 93.98 11.45 16.21 94.40 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 1.80 21.25 100.04 2.61 21.42 100.18 26.20 -32.54 22.39 26.37 -31.76 22.09 ULMN 3 1a0j_c15 TRYPSIN user 5 3 # 5 D 57 HIS B 73 HIS~? 5.11 C2 EDO A 104 D 102 ASP B 75 ASP~? 7.34 C2 EDO A 105 D 193 GLY B 66 GLY~? 8.19 C1 EDO A 104 coo 8.19 15.01 95.72 7.78 16.53 97.01 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 13.53 16.28 93.98 11.45 16.21 94.40 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 1.80 21.25 100.04 2.61 21.42 100.18 29.58 -38.78 14.56 29.91 -39.54 14.52 ULMN 3 1a0j_c15 TRYPSIN user 6 3 # 6 D 57 HIS B 76 HIS~? -3.94 OXT ACT B 102s D 102 ASP B 75 ASP~? 7.34 C2 EDO A 105 D 193 GLY B 66 GLY~? 8.19 C1 EDO A 104 coo 8.19 15.01 95.72 7.78 16.53 97.01 20.42 -45.46 15.69 21.14 -46.68 14.13 coo 13.53 16.28 93.98 11.45 16.21 94.40 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 1.80 21.25 100.04 2.61 21.42 100.18 29.58 -38.78 14.56 29.91 -39.54 14.52 1a0j_c15 source 1a0j TRYPSIN : 6 hits 1a0j_c15 naa= 3 ULMN 3 1a41_c01 TOPOISOMERASE I user 1 3 # 1 223 ARG A 4 ARG^? 11.15 O1 EDO A 106 265 HIS A -8 HIS.? 7.47 O1 EDO A 106 274 TYR A -3 TYR.? 8.43 O1 EDO A 104 coo -15.18 55.46 8.55 -14.82 52.98 10.38 35.29 -30.48 33.81 35.42 -33.13 35.27 coo -14.48 45.59 11.18 -14.02 47.49 10.42 32.32 -38.53 42.24 31.55 -37.10 40.91 coo 0.94 52.26 9.16 1.95 54.78 9.91 32.49 -44.83 26.57 32.70 -46.37 24.23 1a41_c01 source 1a41 TOPOISOMERASE I : 1 hits 1a41_c01 naa= 3 ULMN 3 1a4y_c00 RIBONUCLEASE INHIBITOR user 1 3 # 1 B 13 HIS A 5 HIS^? 3.66 C2 EDO A 102s B 40 LYS A 38 LYS^? -2.86 O1 EDO A 104s B 114 HIS A 76 HIS~? 3.91 O2 EDO A 102s coo 1.80 -13.66 41.28 2.01 -11.61 41.71 29.39 -25.70 30.68 28.57 -23.87 31.25 coo 8.72 -5.06 38.24 5.16 -8.30 41.14 27.72 -37.88 30.49 27.16 -40.68 26.03 coo -3.17 -9.07 46.16 -1.65 -8.08 47.22 20.68 -25.44 29.29 22.44 -24.37 29.64 ULMN 3 1a4y_c00 RIBONUCLEASE INHIBITOR user 2 3 # 2 B 13 HIS B 5 HIS^? 5.90 OXT ACT B 102 B 40 LYS B 38 LYS.? 11.73 C1 EDO B 105 B 114 HIS B 76 HIS~? -3.94 OXT ACT B 102s coo 1.80 -13.66 41.28 2.01 -11.61 41.71 24.56 -45.54 8.01 23.59 -47.34 8.47 coo 8.72 -5.06 38.24 5.16 -8.30 41.14 23.51 -33.84 9.67 26.45 -31.79 13.35 coo -3.17 -9.07 46.16 -1.65 -8.08 47.22 20.42 -45.46 15.69 21.14 -46.68 14.13 ULMN 3 1a4y_c00 RIBONUCLEASE INHIBITOR user 3 3 # 3 B 13 HIS B 73 HIS~? 5.11 C2 EDO A 104 B 40 LYS B 38 LYS.? 11.73 C1 EDO B 105 B 114 HIS B 76 HIS~? -3.94 OXT ACT B 102s coo 1.80 -13.66 41.28 2.01 -11.61 41.71 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 8.72 -5.06 38.24 5.16 -8.30 41.14 23.51 -33.84 9.67 26.45 -31.79 13.35 coo -3.17 -9.07 46.16 -1.65 -8.08 47.22 20.42 -45.46 15.69 21.14 -46.68 14.13 ULMN 3 1a4y_c00 RIBONUCLEASE INHIBITOR user 4 3 # 4 B 13 HIS B 76 HIS~? -3.94 OXT ACT B 102s B 40 LYS B 29 LYS~? 12.18 O1 EDO B 104 B 114 HIS B 5 HIS^? 5.90 OXT ACT B 102 coo 1.80 -13.66 41.28 2.01 -11.61 41.71 20.42 -45.46 15.69 21.14 -46.68 14.13 coo 8.72 -5.06 38.24 5.16 -8.30 41.14 11.33 -38.31 14.91 6.22 -40.97 17.66 coo -3.17 -9.07 46.16 -1.65 -8.08 47.22 24.56 -45.54 8.01 23.59 -47.34 8.47 1a4y_c00 source 1a4y RIBONUCLEASE INHIBITOR : 4 hits 1a4y_c00 naa= 3 ULMN 3 1a4y_c01 RIBONUCLEASE INHIBITOR user 1 3 # 1 E 13 HIS A 5 HIS^? 3.66 C2 EDO A 102s E 40 LYS A 38 LYS^? -2.86 O1 EDO A 104s E 114 HIS A 76 HIS~? 3.91 O2 EDO A 102s coo 22.66 18.80 -11.81 23.81 19.26 -10.13 29.39 -25.70 30.68 28.57 -23.87 31.25 coo 21.57 20.13 -0.45 23.62 20.29 -5.74 27.72 -37.88 30.49 27.16 -40.68 26.03 coo 30.88 19.38 -11.95 31.04 21.06 -10.71 20.68 -25.44 29.29 22.44 -24.37 29.64 ULMN 3 1a4y_c01 RIBONUCLEASE INHIBITOR user 2 3 # 2 E 13 HIS A 73 HIS~? -4.02 O2 EDO A 105s E 40 LYS A 38 LYS^? -2.86 O1 EDO A 104s E 114 HIS A 76 HIS~? 3.91 O2 EDO A 102s coo 22.66 18.80 -11.81 23.81 19.26 -10.13 17.06 -30.49 26.75 15.82 -32.02 27.49 coo 21.57 20.13 -0.45 23.62 20.29 -5.74 27.72 -37.88 30.49 27.16 -40.68 26.03 coo 30.88 19.38 -11.95 31.04 21.06 -10.71 20.68 -25.44 29.29 22.44 -24.37 29.64 ULMN 3 1a4y_c01 RIBONUCLEASE INHIBITOR user 3 3 # 3 E 13 HIS B 5 HIS^? 5.90 OXT ACT B 102 E 40 LYS B 38 LYS.? 11.73 C1 EDO B 105 E 114 HIS B 76 HIS~? -3.94 OXT ACT B 102s coo 22.66 18.80 -11.81 23.81 19.26 -10.13 24.56 -45.54 8.01 23.59 -47.34 8.47 coo 21.57 20.13 -0.45 23.62 20.29 -5.74 23.51 -33.84 9.67 26.45 -31.79 13.35 coo 30.88 19.38 -11.95 31.04 21.06 -10.71 20.42 -45.46 15.69 21.14 -46.68 14.13 ULMN 3 1a4y_c01 RIBONUCLEASE INHIBITOR user 4 3 # 4 E 13 HIS B 73 HIS~? 5.11 C2 EDO A 104 E 40 LYS B 38 LYS.? 11.73 C1 EDO B 105 E 114 HIS B 76 HIS~? -3.94 OXT ACT B 102s coo 22.66 18.80 -11.81 23.81 19.26 -10.13 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 21.57 20.13 -0.45 23.62 20.29 -5.74 23.51 -33.84 9.67 26.45 -31.79 13.35 coo 30.88 19.38 -11.95 31.04 21.06 -10.71 20.42 -45.46 15.69 21.14 -46.68 14.13 ULMN 3 1a4y_c01 RIBONUCLEASE INHIBITOR user 5 3 # 5 E 13 HIS B 76 HIS~? -3.94 OXT ACT B 102s E 40 LYS B 29 LYS~? 12.18 O1 EDO B 104 E 114 HIS B 5 HIS^? 5.90 OXT ACT B 102 coo 22.66 18.80 -11.81 23.81 19.26 -10.13 20.42 -45.46 15.69 21.14 -46.68 14.13 coo 21.57 20.13 -0.45 23.62 20.29 -5.74 11.33 -38.31 14.91 6.22 -40.97 17.66 coo 30.88 19.38 -11.95 31.04 21.06 -10.71 24.56 -45.54 8.01 23.59 -47.34 8.47 ULMN 3 1a4y_c01 RIBONUCLEASE INHIBITOR user 6 3 # 6 E 13 HIS B 76 HIS~? -3.94 OXT ACT B 102s E 40 LYS B 38 LYS.? 11.73 C1 EDO B 105 E 114 HIS B 73 HIS~? 5.11 C2 EDO A 104 coo 22.66 18.80 -11.81 23.81 19.26 -10.13 20.42 -45.46 15.69 21.14 -46.68 14.13 coo 21.57 20.13 -0.45 23.62 20.29 -5.74 23.51 -33.84 9.67 26.45 -31.79 13.35 coo 30.88 19.38 -11.95 31.04 21.06 -10.71 21.13 -40.83 20.13 19.87 -39.36 20.93 1a4y_c01 source 1a4y RIBONUCLEASE INHIBITOR : 6 hits 1a4y_c01 naa= 3 ULMN 3 1a79_c00 TRNA ENDONUCLEASE user 1 3 # 1 A 115 TYR B 70 TYR~? -4.61 O ACT B 102s A 125 HIS B 73 HIS~? 5.11 C2 EDO A 104 A 156 LYS B 29 LYS~? 12.18 O1 EDO B 104 coo 37.11 -19.03 58.81 39.12 -18.07 60.48 23.57 -42.42 13.63 21.81 -43.83 12.00 coo 44.53 -22.25 60.75 45.90 -22.66 62.28 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 46.42 -20.06 51.80 44.79 -19.05 56.86 11.33 -38.31 14.91 6.22 -40.97 17.66 1a79_c00 source 1a79 TRNA ENDONUCLEASE : 1 hits 1a79_c00 naa= 3 ULMN 3 1a79_c01 TRNA ENDONUCLEASE user 1 3 # 1 B 115 TYR B 70 TYR~? -4.61 O ACT B 102s B 125 HIS B 73 HIS~? 5.11 C2 EDO A 104 B 156 LYS B 29 LYS~? 12.18 O1 EDO B 104 coo 52.78 -23.08 19.46 51.79 -21.72 17.22 23.57 -42.42 13.63 21.81 -43.83 12.00 coo 45.10 -24.12 17.42 43.96 -24.36 15.67 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 43.97 -19.59 26.02 45.10 -20.27 21.16 11.33 -38.31 14.91 6.22 -40.97 17.66 1a79_c01 source 1a79 TRNA ENDONUCLEASE : 1 hits 1a79_c01 naa= 3 ULMN 3 1a79_c03 TRNA ENDONUCLEASE user 1 3 # 1 D 115 TYR B 70 TYR~? -4.61 O ACT B 102s D 125 HIS B 73 HIS~? 5.11 C2 EDO A 104 D 156 LYS B 29 LYS~? 12.18 O1 EDO B 104 coo 54.10 1.42 85.16 54.14 4.17 85.62 23.57 -42.42 13.63 21.81 -43.83 12.00 coo 61.27 5.43 85.32 62.73 6.38 86.49 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 60.28 4.62 76.00 58.35 6.41 80.65 11.33 -38.31 14.91 6.22 -40.97 17.66 1a79_c03 source 1a79 TRNA ENDONUCLEASE : 1 hits 1a79_c03 naa= 3 ULMN 3 1a8h_c02 METHIONYL-TRNA SYNTHETASE user 1 3 # 1 16 ALA B 69 ALA~? 3.93 C1 EDO A 104 19 HIS B 73 HIS~? 5.11 C2 EDO A 104 22 HIS B 76 HIS~? -3.94 OXT ACT B 102s coo 53.27 36.51 45.29 51.98 36.45 44.47 27.47 -41.30 18.33 27.70 -39.80 18.34 coo 46.88 33.59 48.26 46.24 34.32 46.40 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 48.05 31.12 44.60 48.20 33.05 43.77 20.42 -45.46 15.69 21.14 -46.68 14.13 ULMN 3 1a8h_c02 METHIONYL-TRNA SYNTHETASE user 2 3 # 2 16 ALA B 69 ALA~? 3.93 C1 EDO A 104 19 HIS B 76 HIS~? -3.94 OXT ACT B 102s 22 HIS B 73 HIS~? 5.11 C2 EDO A 104 coo 53.27 36.51 45.29 51.98 36.45 44.47 27.47 -41.30 18.33 27.70 -39.80 18.34 coo 46.88 33.59 48.26 46.24 34.32 46.40 20.42 -45.46 15.69 21.14 -46.68 14.13 coo 48.05 31.12 44.60 48.20 33.05 43.77 21.13 -40.83 20.13 19.87 -39.36 20.93 ULMN 3 1a8h_c02 METHIONYL-TRNA SYNTHETASE user 3 3 # 3 16 ALA B 78 ALA~? 9.37 CH3 ACT B 102 19 HIS B 73 HIS~? 5.11 C2 EDO A 104 22 HIS B 76 HIS~? -3.94 OXT ACT B 102s coo 53.27 36.51 45.29 51.98 36.45 44.47 14.97 -47.84 20.03 14.24 -46.69 20.72 coo 46.88 33.59 48.26 46.24 34.32 46.40 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 48.05 31.12 44.60 48.20 33.05 43.77 20.42 -45.46 15.69 21.14 -46.68 14.13 ULMN 3 1a8h_c02 METHIONYL-TRNA SYNTHETASE user 4 3 # 4 16 ALA B 78 ALA~? 9.37 CH3 ACT B 102 19 HIS B 76 HIS~? -3.94 OXT ACT B 102s 22 HIS B 73 HIS~? 5.11 C2 EDO A 104 coo 53.27 36.51 45.29 51.98 36.45 44.47 14.97 -47.84 20.03 14.24 -46.69 20.72 coo 46.88 33.59 48.26 46.24 34.32 46.40 20.42 -45.46 15.69 21.14 -46.68 14.13 coo 48.05 31.12 44.60 48.20 33.05 43.77 21.13 -40.83 20.13 19.87 -39.36 20.93 1a8h_c02 source 1a8h METHIONYL-TRNA SYNTHETASE : 4 hits 1a8h_c02 naa= 3 ULMN 3 1ab4_c00 GYRASE A user 1 3 # 1 32 ARG A 4 ARG^? 11.15 O1 EDO A 106 78 HIS A 5 HIS^? 3.66 C2 EDO A 102s 122 TYR B -3 TYR.? 10.66 O1 EDO B 105 coo 48.32 72.26 30.89 48.69 69.28 31.53 35.29 -30.48 33.81 35.42 -33.13 35.27 coo 53.63 68.24 34.99 53.08 69.10 33.16 29.39 -25.70 30.68 28.57 -23.87 31.25 coo 75.01 61.87 32.93 75.34 59.26 31.96 29.92 -26.53 7.69 32.12 -25.42 8.96 ULMN 3 1ab4_c00 GYRASE A user 2 3 # 2 32 ARG A 77 ARG~? 12.24 O2 EDO A 105 78 HIS A 73 HIS~? -4.02 O2 EDO A 105s 122 TYR A -3 TYR.? 8.43 O1 EDO A 104 coo 48.32 72.26 30.89 48.69 69.28 31.53 15.52 -22.75 25.33 12.48 -23.17 25.81 coo 53.63 68.24 34.99 53.08 69.10 33.16 17.06 -30.49 26.75 15.82 -32.02 27.49 coo 75.01 61.87 32.93 75.34 59.26 31.96 32.49 -44.83 26.57 32.70 -46.37 24.23 ULMN 3 1ab4_c00 GYRASE A user 3 3 # 3 32 ARG A 77 ARG~? 12.24 O2 EDO A 105 78 HIS A 76 HIS~? 3.91 O2 EDO A 102s 122 TYR A -3 TYR.? 8.43 O1 EDO A 104 coo 48.32 72.26 30.89 48.69 69.28 31.53 15.52 -22.75 25.33 12.48 -23.17 25.81 coo 53.63 68.24 34.99 53.08 69.10 33.16 20.68 -25.44 29.29 22.44 -24.37 29.64 coo 75.01 61.87 32.93 75.34 59.26 31.96 32.49 -44.83 26.57 32.70 -46.37 24.23 ULMN 3 1ab4_c00 GYRASE A user 4 3 # 4 32 ARG A 90 ARG^? 3.92 O2 NBZ A 112s 78 HIS A 5 HIS^? 3.66 C2 EDO A 102s 122 TYR B -3 TYR.? 10.66 O1 EDO B 105 coo 48.32 72.26 30.89 48.69 69.28 31.53 26.51 -17.50 33.30 27.88 -18.98 30.96 coo 53.63 68.24 34.99 53.08 69.10 33.16 29.39 -25.70 30.68 28.57 -23.87 31.25 coo 75.01 61.87 32.93 75.34 59.26 31.96 29.92 -26.53 7.69 32.12 -25.42 8.96 ULMN 3 1ab4_c00 GYRASE A user 5 3 # 5 32 ARG B 77 ARG~? 7.48 O2 EDO A 104 78 HIS B 73 HIS~? 5.11 C2 EDO A 104 122 TYR B -3 TYR.? 10.66 O1 EDO B 105 coo 48.32 72.26 30.89 48.69 69.28 31.53 21.83 -48.69 21.52 20.83 -47.48 24.21 coo 53.63 68.24 34.99 53.08 69.10 33.16 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 75.01 61.87 32.93 75.34 59.26 31.96 29.92 -26.53 7.69 32.12 -25.42 8.96 ULMN 3 1ab4_c00 GYRASE A user 6 3 # 6 32 ARG B 77 ARG~? 7.48 O2 EDO A 104 78 HIS B 76 HIS~? -3.94 OXT ACT B 102s 122 TYR B -3 TYR.? 10.66 O1 EDO B 105 coo 48.32 72.26 30.89 48.69 69.28 31.53 21.83 -48.69 21.52 20.83 -47.48 24.21 coo 53.63 68.24 34.99 53.08 69.10 33.16 20.42 -45.46 15.69 21.14 -46.68 14.13 coo 75.01 61.87 32.93 75.34 59.26 31.96 29.92 -26.53 7.69 32.12 -25.42 8.96 1ab4_c00 source 1ab4 GYRASE A : 6 hits 1ab4_c00 naa= 3 ULMN 3 1amy_c01 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 1 3 # 1 179 ASP A 13 ASP.? 6.05 O1 EDO A 108 214 ASP A 72 ASP~? 9.41 O1 EDO A 102 289 ASP A 54 ASP.? 2.78 C2 EDO A 108s coo -0.62 65.95 29.97 0.31 67.47 31.05 21.76 -7.39 47.19 23.64 -6.46 47.40 coo 26.86 59.76 46.36 25.42 58.23 45.92 19.04 -26.10 21.93 20.11 -24.78 20.72 coo 9.42 68.07 30.27 7.35 68.27 30.10 27.81 -17.65 45.48 28.28 -15.77 46.28 ULMN 3 1amy_c01 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 2 3 # 2 179 ASP A 62 ASP^? -3.71 O1 EDO A 104s 214 ASP B 54 ASP.? 14.05 O2 EDO B 104 289 ASP B 72 ASP~? -3.91 O2 EDO A 104s coo -0.62 65.95 29.97 0.31 67.47 31.05 29.38 -36.88 23.98 30.56 -38.20 22.76 coo 26.86 59.76 46.36 25.42 58.23 45.92 11.31 -53.68 1.37 10.81 -55.59 0.54 coo 9.42 68.07 30.27 7.35 68.27 30.10 26.38 -44.91 20.83 26.53 -45.26 22.94 ULMN 3 1amy_c01 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 3 3 # 3 179 ASP A 62 ASP^? -3.71 O1 EDO A 104s 214 ASP B 89 ASP^? 14.56 OXT ACT B 102 289 ASP B 72 ASP~? -3.91 O2 EDO A 104s coo -0.62 65.95 29.97 0.31 67.47 31.05 29.38 -36.88 23.98 30.56 -38.20 22.76 coo 26.86 59.76 46.36 25.42 58.23 45.92 18.24 -59.30 3.92 20.30 -59.15 3.66 coo 9.42 68.07 30.27 7.35 68.27 30.10 26.38 -44.91 20.83 26.53 -45.26 22.94 ULMN 3 1amy_c01 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 4 3 # 4 179 ASP A 65 ASP~? 10.10 C1 EDO A 104 214 ASP A 54 ASP.? 2.78 C2 EDO A 108s 289 ASP A 72 ASP~? 9.41 O1 EDO A 102 coo -0.62 65.95 29.97 0.31 67.47 31.05 26.58 -32.44 17.88 27.18 -32.00 15.88 coo 26.86 59.76 46.36 25.42 58.23 45.92 27.81 -17.65 45.48 28.28 -15.77 46.28 coo 9.42 68.07 30.27 7.35 68.27 30.10 19.04 -26.10 21.93 20.11 -24.78 20.72 ULMN 3 1amy_c01 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 5 3 # 5 179 ASP B 13 ASP.? 22.26 CH3 ACT B 102 214 ASP B 72 ASP~? -3.91 O2 EDO A 104s 289 ASP B 54 ASP.? 14.05 O2 EDO B 104 coo -0.62 65.95 29.97 0.31 67.47 31.05 6.46 -63.72 5.72 6.54 -64.46 3.76 coo 26.86 59.76 46.36 25.42 58.23 45.92 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 9.42 68.07 30.27 7.35 68.27 30.10 11.31 -53.68 1.37 10.81 -55.59 0.54 ULMN 3 1amy_c01 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 6 3 # 6 179 ASP B 65 ASP~? 10.18 C1 EDO A 104 214 ASP B 54 ASP.? 14.05 O2 EDO B 104 289 ASP B 72 ASP~? -3.91 O2 EDO A 104s coo -0.62 65.95 29.97 0.31 67.47 31.05 33.69 -38.88 16.48 35.60 -39.38 17.27 coo 26.86 59.76 46.36 25.42 58.23 45.92 11.31 -53.68 1.37 10.81 -55.59 0.54 coo 9.42 68.07 30.27 7.35 68.27 30.10 26.38 -44.91 20.83 26.53 -45.26 22.94 1amy_c01 source 1amy ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE (ALPHA-AMY: 6 hits 1amy_c01 naa= 3 ULMN 3 1amy_c05 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 1 3 # 1 179 ASP A 62 ASP^? -3.71 O1 EDO A 104s 204 GLU B 36 GLU.? 4.68 C1 EDO A 104 289 ASP B 65 ASP~? 10.18 C1 EDO A 104 coo -0.62 65.95 29.97 0.31 67.47 31.05 29.38 -36.88 23.98 30.56 -38.20 22.76 coo 4.34 62.44 32.05 4.22 64.48 32.53 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 9.42 68.07 30.27 7.35 68.27 30.10 33.69 -38.88 16.48 35.60 -39.38 17.27 ULMN 3 1amy_c05 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 2 3 # 2 179 ASP A 62 ASP^? -3.71 O1 EDO A 104s 204 GLU B 36 GLU.? 4.68 C1 EDO A 104 289 ASP B 72 ASP~? -3.91 O2 EDO A 104s coo -0.62 65.95 29.97 0.31 67.47 31.05 29.38 -36.88 23.98 30.56 -38.20 22.76 coo 4.34 62.44 32.05 4.22 64.48 32.53 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 9.42 68.07 30.27 7.35 68.27 30.10 26.38 -44.91 20.83 26.53 -45.26 22.94 ULMN 3 1amy_c05 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 3 3 # 3 179 ASP A 65 ASP~? 10.10 C1 EDO A 104 204 GLU B 36 GLU.? 4.68 C1 EDO A 104 289 ASP B 65 ASP~? 10.18 C1 EDO A 104 coo -0.62 65.95 29.97 0.31 67.47 31.05 26.58 -32.44 17.88 27.18 -32.00 15.88 coo 4.34 62.44 32.05 4.22 64.48 32.53 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 9.42 68.07 30.27 7.35 68.27 30.10 33.69 -38.88 16.48 35.60 -39.38 17.27 ULMN 3 1amy_c05 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 4 3 # 4 179 ASP B 65 ASP~? 10.18 C1 EDO A 104 204 GLU B 36 GLU.? 4.68 C1 EDO A 104 289 ASP A 62 ASP^? -3.71 O1 EDO A 104s coo -0.62 65.95 29.97 0.31 67.47 31.05 33.69 -38.88 16.48 35.60 -39.38 17.27 coo 4.34 62.44 32.05 4.22 64.48 32.53 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 9.42 68.07 30.27 7.35 68.27 30.10 29.38 -36.88 23.98 30.56 -38.20 22.76 ULMN 3 1amy_c05 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 5 3 # 5 179 ASP B 65 ASP~? 10.18 C1 EDO A 104 204 GLU B 36 GLU.? 4.68 C1 EDO A 104 289 ASP B 72 ASP~? -3.91 O2 EDO A 104s coo -0.62 65.95 29.97 0.31 67.47 31.05 33.69 -38.88 16.48 35.60 -39.38 17.27 coo 4.34 62.44 32.05 4.22 64.48 32.53 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 9.42 68.07 30.27 7.35 68.27 30.10 26.38 -44.91 20.83 26.53 -45.26 22.94 1amy_c05 source 1amy ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE (ALPHA-AMY: 5 hits 1amy_c05 naa= 3 ULMN 3 1asy_c00 TRANSFER RIBONUCLEIC ACID (TRNAASP) user 1 3 # 1 B 325 ARG A 10 ARG^? -4.66 C1 EDO A 110s B 342 ASP A 45 ASP.? -3.72 C2 EDO A 111s B 531 ARG A 90 ARG^? 3.92 O2 NBZ A 112s coo 68.60 41.07 -12.62 69.17 40.45 -9.67 30.66 -12.08 43.31 30.96 -9.43 41.69 coo 73.51 47.41 -3.97 72.62 46.48 -5.62 31.14 -21.11 47.49 33.11 -20.89 48.17 coo 59.93 41.82 -5.59 61.38 39.13 -5.79 26.51 -17.50 33.30 27.88 -18.98 30.96 ULMN 3 1asy_c00 TRANSFER RIBONUCLEIC ACID (TRNAASP) user 2 3 # 2 B 325 ARG B 10 ARG^? 18.61 OXT ACT B 102 B 342 ASP B 45 ASP.? 12.26 O2 EDO B 104 B 531 ARG B 90 ARG^? 7.30 OXT ACT B 102 coo 68.60 41.07 -12.62 69.17 40.45 -9.67 14.67 -59.33 0.36 16.35 -61.87 0.73 coo 73.51 47.41 -3.97 72.62 46.48 -5.62 11.53 -50.18 -2.63 12.16 -50.45 -4.66 coo 59.93 41.82 -5.59 61.38 39.13 -5.79 20.94 -53.69 9.07 23.65 -52.18 9.23 ULMN 3 1asy_c00 TRANSFER RIBONUCLEIC ACID (TRNAASP) user 3 3 # 3 B 325 ARG B 68 ARG~? 13.19 C1 EDO A 104 B 342 ASP A 62 ASP^? -3.71 O1 EDO A 104s B 531 ARG B 77 ARG~? 7.48 O2 EDO A 104 coo 68.60 41.07 -12.62 69.17 40.45 -9.67 31.65 -46.03 15.78 32.85 -48.29 14.05 coo 73.51 47.41 -3.97 72.62 46.48 -5.62 29.38 -36.88 23.98 30.56 -38.20 22.76 coo 59.93 41.82 -5.59 61.38 39.13 -5.79 21.83 -48.69 21.52 20.83 -47.48 24.21 1asy_c00 source 1asy TRANSFER RIBONUCLEIC ACID (TRNAASP) : 3 hits 1asy_c00 naa= 3 ULMN 3 1asy_c01 TRANSFER RIBONUCLEIC ACID (TRNAASP) user 1 3 # 1 A 325 ARG B 68 ARG~? 13.19 C1 EDO A 104 A 342 ASP A 62 ASP^? -3.71 O1 EDO A 104s A 531 ARG B 77 ARG~? 7.48 O2 EDO A 104 coo 73.40 61.96 -24.99 72.46 63.92 -22.84 31.65 -46.03 15.78 32.85 -48.29 14.05 coo 66.77 64.93 -14.03 68.02 64.49 -15.66 29.38 -36.88 23.98 30.56 -38.20 22.76 coo 80.46 68.51 -18.35 79.98 68.55 -21.36 21.83 -48.69 21.52 20.83 -47.48 24.21 1asy_c01 source 1asy TRANSFER RIBONUCLEIC ACID (TRNAASP) : 1 hits 1asy_c01 naa= 3 ULMN 3 1ax4_c04 TRYPTOPHANASE user 1 3 # 1 A 130 PHE A -2 PHE.? 7.65 O1 EDO A 104 A 223 ASP B 65 ASP~? 10.18 C1 EDO A 104 A 265 LYS B 38 LYS.? 11.73 C1 EDO B 105 coo 39.74 52.86 65.74 41.15 55.14 66.52 33.38 -38.23 26.31 33.23 -36.90 28.74 coo 30.70 47.50 67.53 29.83 49.47 67.39 33.69 -38.88 16.48 35.60 -39.38 17.27 coo 19.99 54.53 64.11 20.55 58.78 68.33 23.51 -33.84 9.67 26.45 -31.79 13.35 ULMN 3 1ax4_c04 TRYPTOPHANASE user 2 3 # 2 A 130 PHE B 67 PHE~? 9.52 OXT ACT B 102 A 223 ASP B 72 ASP~? -3.91 O2 EDO A 104s A 265 LYS A 38 LYS^? -2.86 O1 EDO A 104s coo 39.74 52.86 65.74 41.15 55.14 66.52 29.04 -44.24 11.72 28.04 -46.76 11.25 coo 30.70 47.50 67.53 29.83 49.47 67.39 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 19.99 54.53 64.11 20.55 58.78 68.33 27.72 -37.88 30.49 27.16 -40.68 26.03 1ax4_c04 source 1ax4 TRYPTOPHANASE : 2 hits 1ax4_c04 naa= 3 ULMN 3 1ax4_c05 TRYPTOPHANASE user 1 3 # 1 B 130 PHE A -2 PHE.? 7.65 O1 EDO A 104 B 223 ASP B 65 ASP~? 10.18 C1 EDO A 104 B 265 LYS B 38 LYS.? 11.73 C1 EDO B 105 coo 7.48 54.94 99.62 7.67 52.27 100.42 33.38 -38.23 26.31 33.23 -36.90 28.74 coo 10.43 61.66 91.81 9.80 60.04 90.61 33.69 -38.88 16.48 35.60 -39.38 17.27 coo 5.43 58.06 80.08 8.57 53.00 79.37 23.51 -33.84 9.67 26.45 -31.79 13.35 ULMN 3 1ax4_c05 TRYPTOPHANASE user 2 3 # 2 B 130 PHE B 67 PHE~? 9.52 OXT ACT B 102 B 223 ASP B 72 ASP~? -3.91 O2 EDO A 104s B 265 LYS A 38 LYS^? -2.86 O1 EDO A 104s coo 7.48 54.94 99.62 7.67 52.27 100.42 29.04 -44.24 11.72 28.04 -46.76 11.25 coo 10.43 61.66 91.81 9.80 60.04 90.61 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 5.43 58.06 80.08 8.57 53.00 79.37 27.72 -37.88 30.49 27.16 -40.68 26.03 1ax4_c05 source 1ax4 TRYPTOPHANASE : 2 hits 1ax4_c05 naa= 3 ULMN 3 1ax4_c06 TRYPTOPHANASE user 1 3 # 1 C 130 PHE A -2 PHE.? 7.65 O1 EDO A 104 C 223 ASP B 65 ASP~? 10.18 C1 EDO A 104 C 265 LYS B 38 LYS.? 11.73 C1 EDO B 105 coo -6.55 73.45 23.60 -6.77 71.48 21.66 33.38 -38.23 26.31 33.23 -36.90 28.74 coo -9.52 75.74 33.62 -8.85 73.74 33.93 33.69 -38.88 16.48 35.60 -39.38 17.27 coo -4.44 67.20 42.32 -7.50 62.41 40.49 23.51 -33.84 9.67 26.45 -31.79 13.35 ULMN 3 1ax4_c06 TRYPTOPHANASE user 2 3 # 2 C 130 PHE B 67 PHE~? 9.52 OXT ACT B 102 C 223 ASP B 72 ASP~? -3.91 O2 EDO A 104s C 265 LYS A 38 LYS^? -2.86 O1 EDO A 104s coo -6.55 73.45 23.60 -6.77 71.48 21.66 29.04 -44.24 11.72 28.04 -46.76 11.25 coo -9.52 75.74 33.62 -8.85 73.74 33.93 26.38 -44.91 20.83 26.53 -45.26 22.94 coo -4.44 67.20 42.32 -7.50 62.41 40.49 27.72 -37.88 30.49 27.16 -40.68 26.03 1ax4_c06 source 1ax4 TRYPTOPHANASE : 2 hits 1ax4_c06 naa= 3 ULMN 3 1ax4_c07 TRYPTOPHANASE user 1 3 # 1 D 130 PHE A -2 PHE.? 7.65 O1 EDO A 104 D 223 ASP B 65 ASP~? 10.18 C1 EDO A 104 D 265 LYS B 38 LYS.? 11.73 C1 EDO B 105 coo -38.60 55.38 52.70 -40.06 57.72 53.04 33.38 -38.23 26.31 33.23 -36.90 28.74 coo -29.46 51.67 48.51 -28.63 53.31 49.56 33.69 -38.88 16.48 35.60 -39.38 17.27 coo -18.87 56.53 54.79 -19.47 62.22 53.03 23.51 -33.84 9.67 26.45 -31.79 13.35 ULMN 3 1ax4_c07 TRYPTOPHANASE user 2 3 # 2 D 130 PHE B 67 PHE~? 9.52 OXT ACT B 102 D 223 ASP B 72 ASP~? -3.91 O2 EDO A 104s D 265 LYS A 38 LYS^? -2.86 O1 EDO A 104s coo -38.60 55.38 52.70 -40.06 57.72 53.04 29.04 -44.24 11.72 28.04 -46.76 11.25 coo -29.46 51.67 48.51 -28.63 53.31 49.56 26.38 -44.91 20.83 26.53 -45.26 22.94 coo -18.87 56.53 54.79 -19.47 62.22 53.03 27.72 -37.88 30.49 27.16 -40.68 26.03 1ax4_c07 source 1ax4 TRYPTOPHANASE : 2 hits 1ax4_c07 naa= 3 ULMN 3 1b2m_c00 5'-R(*GP*(CH2)U)-3' user 1 3 # 1 A 40 HIS B 73 HIS~? 5.11 C2 EDO A 104 A 58 GLU A 36 GLU.? 4.60 C2 EDO A 104 A 92 HIS A 73 HIS~? -4.02 O2 EDO A 105s coo 12.70 27.74 1.76 10.77 27.11 1.24 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 11.38 23.30 3.20 9.27 23.34 3.13 25.24 -36.15 22.76 23.21 -36.44 22.19 coo 2.67 19.36 1.56 3.51 21.24 1.94 17.06 -30.49 26.75 15.82 -32.02 27.49 1b2m_c00 source 1b2m 5'-R(*GP*(CH2)U)-3' : 1 hits 1b2m_c00 naa= 3 ULMN 3 1b2m_c01 5'-R(*GP*(CH2)U)-3' user 1 3 # 1 B 40 HIS B 73 HIS~? 5.11 C2 EDO A 104 B 58 GLU A 36 GLU.? 4.60 C2 EDO A 104 B 92 HIS A 73 HIS~? -4.02 O2 EDO A 105s coo 10.74 36.24 16.20 9.81 34.52 16.97 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 5.02 36.40 17.74 5.55 34.41 17.37 25.24 -36.15 22.76 23.21 -36.44 22.19 coo 0.68 29.04 20.43 2.46 29.56 19.46 17.06 -30.49 26.75 15.82 -32.02 27.49 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 60 ASP^? 9.96 C2 EDO A 103 A 182 GLU A 36 GLU.? 4.60 C2 EDO A 104 A 286 ASN A -5 ASN.? -7.74 O1 EDO A 104s coo 26.03 44.66 108.90 25.67 42.61 108.82 31.34 -34.21 31.28 32.49 -33.56 32.90 coo 18.06 44.02 105.38 18.08 45.37 107.03 25.24 -36.15 22.76 23.21 -36.44 22.19 coo 25.47 38.28 112.06 27.26 39.30 111.54 29.90 -41.58 32.00 29.84 -42.46 30.04 1b57_c00 source 1b57 FRUCTOSE-BISPHOSPHATE ALDOLASE II : 1 hits 1b57_c00 naa= 3 ULMN 3 1b57_c01 FRUCTOSE-BISPHOSPHATE ALDOLASE II user 1 3 # 1 B 109 ASP A 60 ASP^? 9.96 C2 EDO A 103 B 182 GLU A 36 GLU.? 4.60 C2 EDO A 104 B 286 ASN A -5 ASN.? -7.74 O1 EDO A 104s coo 13.82 69.26 132.27 11.87 70.14 132.51 31.34 -34.21 31.28 32.49 -33.56 32.90 coo 8.74 63.05 136.42 9.87 62.19 134.79 25.24 -36.15 22.76 23.21 -36.44 22.19 coo 8.26 72.60 129.22 10.14 73.45 129.80 29.90 -41.58 32.00 29.84 -42.46 30.04 1b57_c01 source 1b57 FRUCTOSE-BISPHOSPHATE ALDOLASE II : 1 hits 1b57_c01 naa= 3 ULMN 3 1b6g_c00 HALOALKANE DEHALOGENASE user 1 3 # 1 124 ASP A 72 ASP~? 9.41 O1 EDO A 102 260 ASP A 75 ASP~? -3.37 CL CL A 101s 289 HIS A 73 HIS~? -4.02 O2 EDO A 105s coo 30.43 27.27 28.31 29.04 28.69 29.00 19.04 -26.10 21.93 20.11 -24.78 20.72 coo 34.79 33.03 22.11 33.47 32.83 23.76 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 30.83 30.57 23.91 30.62 30.06 25.92 17.06 -30.49 26.75 15.82 -32.02 27.49 ULMN 3 1b6g_c00 HALOALKANE DEHALOGENASE user 2 3 # 2 124 ASP A 75 ASP~? -3.37 CL CL A 101s 260 ASP A 72 ASP~? 9.41 O1 EDO A 102 289 HIS A 73 HIS~? -4.02 O2 EDO A 105s coo 30.43 27.27 28.31 29.04 28.69 29.00 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 34.79 33.03 22.11 33.47 32.83 23.76 19.04 -26.10 21.93 20.11 -24.78 20.72 coo 30.83 30.57 23.91 30.62 30.06 25.92 17.06 -30.49 26.75 15.82 -32.02 27.49 ULMN 3 1b6g_c00 HALOALKANE DEHALOGENASE user 3 3 # 3 124 ASP B 72 ASP~? -3.91 O2 EDO A 104s 260 ASP B 75 ASP~? 7.34 C2 EDO A 105 289 HIS B 73 HIS~? 5.11 C2 EDO A 104 coo 30.43 27.27 28.31 29.04 28.69 29.00 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 34.79 33.03 22.11 33.47 32.83 23.76 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 30.83 30.57 23.91 30.62 30.06 25.92 21.13 -40.83 20.13 19.87 -39.36 20.93 ULMN 3 1b6g_c00 HALOALKANE DEHALOGENASE user 4 3 # 4 124 ASP B 75 ASP~? 7.34 C2 EDO A 105 260 ASP B 72 ASP~? -3.91 O2 EDO A 104s 289 HIS B 73 HIS~? 5.11 C2 EDO A 104 coo 30.43 27.27 28.31 29.04 28.69 29.00 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 34.79 33.03 22.11 33.47 32.83 23.76 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 30.83 30.57 23.91 30.62 30.06 25.92 21.13 -40.83 20.13 19.87 -39.36 20.93 1b6g_c00 source 1b6g HALOALKANE DEHALOGENASE : 4 hits 1b6g_c00 naa= 3 ULMN 3 1b9h_c02 3-AMINO-5-HYDROXYBENZOIC ACID SYNTHAuser 1 3 # 1 A 88 PHE A 67 PHE~? -4.76 C1 EDO A 102s A 159 ASP A 65 ASP~? 10.10 C1 EDO A 104 A 188 LYS A 38 LYS^? -2.86 O1 EDO A 104s coo 13.91 34.58 14.67 12.95 36.00 12.47 28.51 -27.10 24.33 28.72 -24.72 25.76 coo 20.97 28.40 16.26 20.19 30.15 15.34 26.58 -32.44 17.88 27.18 -32.00 15.88 coo 22.55 41.65 15.60 18.92 37.20 14.63 27.72 -37.88 30.49 27.16 -40.68 26.03 ULMN 3 1b9h_c02 3-AMINO-5-HYDROXYBENZOIC ACID SYNTHAuser 2 3 # 2 A 88 PHE B 67 PHE~? 9.52 OXT ACT B 102 A 159 ASP B 65 ASP~? 10.18 C1 EDO A 104 A 188 LYS B 38 LYS.? 11.73 C1 EDO B 105 coo 13.91 34.58 14.67 12.95 36.00 12.47 29.04 -44.24 11.72 28.04 -46.76 11.25 coo 20.97 28.40 16.26 20.19 30.15 15.34 33.69 -38.88 16.48 35.60 -39.38 17.27 coo 22.55 41.65 15.60 18.92 37.20 14.63 23.51 -33.84 9.67 26.45 -31.79 13.35 1b9h_c02 source 1b9h 3-AMINO-5-HYDROXYBENZOIC ACID SYNTHASE : 2 hits 1b9h_c02 naa= 3 ULMN 3 1be1_c02 GLUTAMATE MUTASE user 1 3 # 1 14 ASP A 72 ASP~? 9.41 O1 EDO A 102 16 HIS A 73 HIS~? -4.02 O2 EDO A 105s 67 GLY A 43 GLY^? 5.95 O1 EDO A 106 coo -11.04 -6.46 -7.27 -10.57 -4.40 -7.48 19.04 -26.10 21.93 20.11 -24.78 20.72 coo -6.73 -11.42 -7.86 -5.41 -11.61 -6.26 17.06 -30.49 26.75 15.82 -32.02 27.49 coo 10.06 -0.59 -9.79 9.66 -0.34 -9.05 26.99 -26.96 44.48 27.26 -26.41 43.98 ULMN 3 1be1_c02 GLUTAMATE MUTASE user 2 3 # 2 14 ASP A 75 ASP~? -3.37 CL CL A 101s 16 HIS A 76 HIS~? 3.91 O2 EDO A 102s 67 GLY A 0 GLY.? 7.67 O1 EDO A 104 coo -11.04 -6.46 -7.27 -10.57 -4.40 -7.48 16.12 -29.42 31.11 14.94 -31.11 31.50 coo -6.73 -11.42 -7.86 -5.41 -11.61 -6.26 20.68 -25.44 29.29 22.44 -24.37 29.64 coo 10.06 -0.59 -9.79 9.66 -0.34 -9.05 33.91 -37.82 20.22 33.82 -37.92 21.05 ULMN 3 1be1_c02 GLUTAMATE MUTASE user 3 3 # 3 14 ASP A 75 ASP~? -3.37 CL CL A 101s 16 HIS A 76 HIS~? 3.91 O2 EDO A 102s 67 GLY B 66 GLY~? 8.19 C1 EDO A 104 coo -11.04 -6.46 -7.27 -10.57 -4.40 -7.48 16.12 -29.42 31.11 14.94 -31.11 31.50 coo -6.73 -11.42 -7.86 -5.41 -11.61 -6.26 20.68 -25.44 29.29 22.44 -24.37 29.64 coo 10.06 -0.59 -9.79 9.66 -0.34 -9.05 29.58 -38.78 14.56 29.91 -39.54 14.52 ULMN 3 1be1_c02 GLUTAMATE MUTASE user 4 3 # 4 14 ASP B 72 ASP~? -3.91 O2 EDO A 104s 16 HIS B 73 HIS~? 5.11 C2 EDO A 104 67 GLY B 43 GLY^? -3.41 O2 EDO B 104s coo -11.04 -6.46 -7.27 -10.57 -4.40 -7.48 26.38 -44.91 20.83 26.53 -45.26 22.94 coo -6.73 -11.42 -7.86 -5.41 -11.61 -6.26 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 10.06 -0.59 -9.79 9.66 -0.34 -9.05 11.57 -44.51 2.72 12.18 -45.02 2.64 ULMN 3 1be1_c02 GLUTAMATE MUTASE user 5 3 # 5 14 ASP B 75 ASP~? 7.34 C2 EDO A 105 16 HIS B 73 HIS~? 5.11 C2 EDO A 104 67 GLY B 0 GLY.? 12.28 C1 EDO B 105 coo -11.04 -6.46 -7.27 -10.57 -4.40 -7.48 16.30 -41.75 19.83 15.36 -40.72 21.44 coo -6.73 -11.42 -7.86 -5.41 -11.61 -6.26 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 10.06 -0.59 -9.79 9.66 -0.34 -9.05 35.71 -33.44 9.74 35.08 -33.23 9.28 ULMN 3 1be1_c02 GLUTAMATE MUTASE user 6 3 # 6 14 ASP B 75 ASP~? 7.34 C2 EDO A 105 16 HIS B 76 HIS~? -3.94 OXT ACT B 102s 67 GLY A 2 GLY^? 9.09 O1 EDO A 104 coo -11.04 -6.46 -7.27 -10.57 -4.40 -7.48 16.30 -41.75 19.83 15.36 -40.72 21.44 coo -6.73 -11.42 -7.86 -5.41 -11.61 -6.26 20.42 -45.46 15.69 21.14 -46.68 14.13 coo 10.06 -0.59 -9.79 9.66 -0.34 -9.05 34.55 -34.73 25.68 34.98 -34.20 25.24 ULMN 3 1be1_c02 GLUTAMATE MUTASE user 7 3 # 7 14 ASP B 75 ASP~? 7.34 C2 EDO A 105 16 HIS B 76 HIS~? -3.94 OXT ACT B 102s 67 GLY B 0 GLY.? 12.28 C1 EDO B 105 coo -11.04 -6.46 -7.27 -10.57 -4.40 -7.48 16.30 -41.75 19.83 15.36 -40.72 21.44 coo -6.73 -11.42 -7.86 -5.41 -11.61 -6.26 20.42 -45.46 15.69 21.14 -46.68 14.13 coo 10.06 -0.59 -9.79 9.66 -0.34 -9.05 35.71 -33.44 9.74 35.08 -33.23 9.28 1be1_c02 source 1be1 GLUTAMATE MUTASE : 7 hits 1be1_c02 naa= 3 ULMN 3 1bf2_c00 ISOAMYLASE user 1 3 # 1 375 ASP A 62 ASP^? -3.71 O1 EDO A 104s 435 GLU B 36 GLU.? 4.68 C1 EDO A 104 510 ASP B 65 ASP~? 10.18 C1 EDO A 104 coo 88.62 69.90 41.16 89.05 70.67 43.04 29.38 -36.88 23.98 30.56 -38.20 22.76 coo 89.52 76.11 40.17 89.01 75.16 41.97 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 84.89 77.60 46.67 85.63 75.79 46.03 33.69 -38.88 16.48 35.60 -39.38 17.27 ULMN 3 1bf2_c00 ISOAMYLASE user 2 3 # 2 375 ASP A 62 ASP^? -3.71 O1 EDO A 104s 435 GLU B 36 GLU.? 4.68 C1 EDO A 104 510 ASP B 72 ASP~? -3.91 O2 EDO A 104s coo 88.62 69.90 41.16 89.05 70.67 43.04 29.38 -36.88 23.98 30.56 -38.20 22.76 coo 89.52 76.11 40.17 89.01 75.16 41.97 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 84.89 77.60 46.67 85.63 75.79 46.03 26.38 -44.91 20.83 26.53 -45.26 22.94 ULMN 3 1bf2_c00 ISOAMYLASE user 3 3 # 3 375 ASP A 65 ASP~? 10.10 C1 EDO A 104 435 GLU B 36 GLU.? 4.68 C1 EDO A 104 510 ASP B 65 ASP~? 10.18 C1 EDO A 104 coo 88.62 69.90 41.16 89.05 70.67 43.04 26.58 -32.44 17.88 27.18 -32.00 15.88 coo 89.52 76.11 40.17 89.01 75.16 41.97 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 84.89 77.60 46.67 85.63 75.79 46.03 33.69 -38.88 16.48 35.60 -39.38 17.27 ULMN 3 1bf2_c00 ISOAMYLASE user 4 3 # 4 375 ASP B 65 ASP~? 10.18 C1 EDO A 104 435 GLU B 36 GLU.? 4.68 C1 EDO A 104 510 ASP A 62 ASP^? -3.71 O1 EDO A 104s coo 88.62 69.90 41.16 89.05 70.67 43.04 33.69 -38.88 16.48 35.60 -39.38 17.27 coo 89.52 76.11 40.17 89.01 75.16 41.97 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 84.89 77.60 46.67 85.63 75.79 46.03 29.38 -36.88 23.98 30.56 -38.20 22.76 ULMN 3 1bf2_c00 ISOAMYLASE user 5 3 # 5 375 ASP B 65 ASP~? 10.18 C1 EDO A 104 435 GLU B 36 GLU.? 4.68 C1 EDO A 104 510 ASP B 72 ASP~? -3.91 O2 EDO A 104s coo 88.62 69.90 41.16 89.05 70.67 43.04 33.69 -38.88 16.48 35.60 -39.38 17.27 coo 89.52 76.11 40.17 89.01 75.16 41.97 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 84.89 77.60 46.67 85.63 75.79 46.03 26.38 -44.91 20.83 26.53 -45.26 22.94 1bf2_c00 source 1bf2 ISOAMYLASE : 5 hits 1bf2_c00 naa= 3 ULMN 3 1bhg_c02 BETA-GLUCURONIDASE user 1 3 # 1 A 451 GLU A 36 GLU.? 4.60 C2 EDO A 104 A 504 TYR B 70 TYR~? -4.61 O ACT B 102s A 540 GLU B 36 GLU.? 4.68 C1 EDO A 104 coo 81.34 87.29 87.22 82.36 86.09 88.61 25.24 -36.15 22.76 23.21 -36.44 22.19 coo 80.85 81.34 94.77 81.70 80.16 92.41 23.57 -42.42 13.63 21.81 -43.83 12.00 coo 79.94 80.46 88.84 81.11 81.36 87.27 26.07 -36.88 17.25 24.74 -37.15 18.88 1bhg_c02 source 1bhg BETA-GLUCURONIDASE : 1 hits 1bhg_c02 naa= 3 ULMN 3 1bib_c00 BIRA BIFUNCTIONAL PROTEIN (ACTS AS Buser 1 3 # 1 118 ARG A 4 ARG^? 11.15 O1 EDO A 106 183 LYS A 38 LYS^? -2.86 O1 EDO A 104s 317 ARG A 77 ARG~? 12.24 O2 EDO A 105 coo 76.57 109.19 73.41 73.86 110.26 72.16 35.29 -30.48 33.81 35.42 -33.13 35.27 coo 82.09 117.51 66.37 80.60 114.32 71.44 27.72 -37.88 30.49 27.16 -40.68 26.03 coo 65.21 120.62 58.76 63.62 123.14 59.66 15.52 -22.75 25.33 12.48 -23.17 25.81 ULMN 3 1bib_c00 BIRA BIFUNCTIONAL PROTEIN (ACTS AS Buser 2 3 # 2 118 ARG B 4 ARG^? 5.32 O2 EDO B 105 183 LYS B 38 LYS.? 11.73 C1 EDO B 105 317 ARG B 77 ARG~? 7.48 O2 EDO A 104 coo 76.57 109.19 73.41 73.86 110.26 72.16 25.02 -40.81 1.35 23.83 -38.19 0.28 coo 82.09 117.51 66.37 80.60 114.32 71.44 23.51 -33.84 9.67 26.45 -31.79 13.35 coo 65.21 120.62 58.76 63.62 123.14 59.66 21.83 -48.69 21.52 20.83 -47.48 24.21 1bib_c00 source 1bib BIRA BIFUNCTIONAL PROTEIN (ACTS AS BIOTIN OPER: 2 hits 1bib_c00 naa= 3 ULMN 3 1bp2_c00 PHOSPHOLIPASE A2 (E.C.3.1.1.4) (PHOSuser 1 3 # 1 30 GLY A 66 GLY~? 7.08 O1 EDO A 104 48 HIS A 73 HIS~? -4.02 O2 EDO A 105s 99 ASP A 75 ASP~? -3.37 CL CL A 101s coo 12.38 5.55 24.25 13.27 5.59 24.39 26.20 -32.54 22.39 26.37 -31.76 22.09 coo 18.80 12.68 24.53 17.69 13.54 26.08 17.06 -30.49 26.75 15.82 -32.02 27.49 coo 17.07 18.51 26.62 16.67 17.07 28.09 16.12 -29.42 31.11 14.94 -31.11 31.50 ULMN 3 1bp2_c00 PHOSPHOLIPASE A2 (E.C.3.1.1.4) (PHOSuser 2 3 # 2 30 GLY A 66 GLY~? 7.08 O1 EDO A 104 48 HIS A 76 HIS~? 3.91 O2 EDO A 102s 99 ASP A 75 ASP~? -3.37 CL CL A 101s coo 12.38 5.55 24.25 13.27 5.59 24.39 26.20 -32.54 22.39 26.37 -31.76 22.09 coo 18.80 12.68 24.53 17.69 13.54 26.08 20.68 -25.44 29.29 22.44 -24.37 29.64 coo 17.07 18.51 26.62 16.67 17.07 28.09 16.12 -29.42 31.11 14.94 -31.11 31.50 ULMN 3 1bp2_c00 PHOSPHOLIPASE A2 (E.C.3.1.1.4) (PHOSuser 3 3 # 3 30 GLY A 66 GLY~? 7.08 O1 EDO A 104 48 HIS B 73 HIS~? 5.11 C2 EDO A 104 99 ASP B 72 ASP~? -3.91 O2 EDO A 104s coo 12.38 5.55 24.25 13.27 5.59 24.39 26.20 -32.54 22.39 26.37 -31.76 22.09 coo 18.80 12.68 24.53 17.69 13.54 26.08 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 17.07 18.51 26.62 16.67 17.07 28.09 26.38 -44.91 20.83 26.53 -45.26 22.94 ULMN 3 1bp2_c00 PHOSPHOLIPASE A2 (E.C.3.1.1.4) (PHOSuser 4 3 # 4 30 GLY A 66 GLY~? 7.08 O1 EDO A 104 48 HIS B 73 HIS~? 5.11 C2 EDO A 104 99 ASP B 75 ASP~? 7.34 C2 EDO A 105 coo 12.38 5.55 24.25 13.27 5.59 24.39 26.20 -32.54 22.39 26.37 -31.76 22.09 coo 18.80 12.68 24.53 17.69 13.54 26.08 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 17.07 18.51 26.62 16.67 17.07 28.09 16.30 -41.75 19.83 15.36 -40.72 21.44 ULMN 3 1bp2_c00 PHOSPHOLIPASE A2 (E.C.3.1.1.4) (PHOSuser 5 3 # 5 30 GLY B 66 GLY~? 8.19 C1 EDO A 104 48 HIS B 73 HIS~? 5.11 C2 EDO A 104 99 ASP B 75 ASP~? 7.34 C2 EDO A 105 coo 12.38 5.55 24.25 13.27 5.59 24.39 29.58 -38.78 14.56 29.91 -39.54 14.52 coo 18.80 12.68 24.53 17.69 13.54 26.08 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 17.07 18.51 26.62 16.67 17.07 28.09 16.30 -41.75 19.83 15.36 -40.72 21.44 ULMN 3 1bp2_c00 PHOSPHOLIPASE A2 (E.C.3.1.1.4) (PHOSuser 6 3 # 6 30 GLY B 66 GLY~? 8.19 C1 EDO A 104 48 HIS B 76 HIS~? -3.94 OXT ACT B 102s 99 ASP B 75 ASP~? 7.34 C2 EDO A 105 coo 12.38 5.55 24.25 13.27 5.59 24.39 29.58 -38.78 14.56 29.91 -39.54 14.52 coo 18.80 12.68 24.53 17.69 13.54 26.08 20.42 -45.46 15.69 21.14 -46.68 14.13 coo 17.07 18.51 26.62 16.67 17.07 28.09 16.30 -41.75 19.83 15.36 -40.72 21.44 1bp2_c00 source 1bp2 PHOSPHOLIPASE A2 (E.C.3.1.1.4) (PHOSPHATIDE AC: 6 hits 1bp2_c00 naa= 3 ULMN 3 1bs4_c00 PEPTIDE DEFORMYLASE user 1 3 # 1 A 50 GLN A 94 GLN^? 4.68 C1 EDO A 102 A 91 LEU A 61 LEU^? 7.92 C2 EDO A 102 A 133 GLU A 64 GLU~? 12.93 C1 EDO A 102 coo 43.58 43.67 66.73 42.32 42.78 68.15 32.05 -24.90 27.25 31.50 -22.83 27.13 coo 38.58 45.09 70.44 38.28 45.21 72.59 28.64 -31.94 26.66 26.84 -31.08 27.62 coo 44.05 36.87 70.65 43.15 38.64 69.97 32.22 -28.58 19.32 33.17 -27.36 17.86 ULMN 3 1bs4_c00 PEPTIDE DEFORMYLASE user 2 3 # 2 A 50 GLN B 94 GLN^? 10.06 OXT ACT B 102 A 91 LEU B 61 LEU^? 9.55 O ACT B 102 A 133 GLU B 64 GLU~? 15.64 C1 EDO A 104 coo 43.58 43.67 66.73 42.32 42.78 68.15 28.74 -46.41 7.61 28.49 -48.49 8.10 coo 38.58 45.09 70.44 38.28 45.21 72.59 27.55 -39.08 10.62 25.77 -40.38 11.00 coo 44.05 36.87 70.65 43.15 38.64 69.97 35.47 -42.81 11.09 36.89 -44.38 11.18 1bs4_c00 source 1bs4 PEPTIDE DEFORMYLASE : 2 hits 1bs4_c00 naa= 3 ULMN 3 1bs4_c01 PEPTIDE DEFORMYLASE user 1 3 # 1 B 550 GLN A 94 GLN^? 4.68 C1 EDO A 102 B 591 LEU A 61 LEU^? 7.92 C2 EDO A 102 B 633 GLU A 64 GLU~? 12.93 C1 EDO A 102 coo 88.06 44.34 57.19 89.06 45.53 55.74 32.05 -24.90 27.25 31.50 -22.83 27.13 coo 86.70 48.66 52.61 87.15 48.69 50.51 28.64 -31.94 26.66 26.84 -31.08 27.62 coo 95.42 44.52 54.43 93.46 45.31 54.70 32.22 -28.58 19.32 33.17 -27.36 17.86 ULMN 3 1bs4_c01 PEPTIDE DEFORMYLASE user 2 3 # 2 B 550 GLN B 94 GLN^? 10.06 OXT ACT B 102 B 591 LEU B 61 LEU^? 9.55 O ACT B 102 B 633 GLU B 64 GLU~? 15.64 C1 EDO A 104 coo 88.06 44.34 57.19 89.06 45.53 55.74 28.74 -46.41 7.61 28.49 -48.49 8.10 coo 86.70 48.66 52.61 87.15 48.69 50.51 27.55 -39.08 10.62 25.77 -40.38 11.00 coo 95.42 44.52 54.43 93.46 45.31 54.70 35.47 -42.81 11.09 36.89 -44.38 11.18 1bs4_c01 source 1bs4 PEPTIDE DEFORMYLASE : 2 hits 1bs4_c01 naa= 3 ULMN 3 1bs4_c02 PEPTIDE DEFORMYLASE user 1 3 # 1 C1050 GLN A 94 GLN^? 4.68 C1 EDO A 102 C1091 LEU A 61 LEU^? 7.92 C2 EDO A 102 C1133 GLU A 64 GLU~? 12.93 C1 EDO A 102 coo 68.29 34.44 43.03 66.67 34.74 44.37 32.05 -24.90 27.25 31.50 -22.83 27.13 coo 65.83 38.95 47.05 65.46 38.90 49.20 28.64 -31.94 26.66 26.84 -31.08 27.62 coo 63.14 29.39 46.25 63.84 31.31 45.74 32.22 -28.58 19.32 33.17 -27.36 17.86 ULMN 3 1bs4_c02 PEPTIDE DEFORMYLASE user 2 3 # 2 C1050 GLN B 94 GLN^? 10.06 OXT ACT B 102 C1091 LEU B 61 LEU^? 9.55 O ACT B 102 C1133 GLU B 64 GLU~? 15.64 C1 EDO A 104 coo 68.29 34.44 43.03 66.67 34.74 44.37 28.74 -46.41 7.61 28.49 -48.49 8.10 coo 65.83 38.95 47.05 65.46 38.90 49.20 27.55 -39.08 10.62 25.77 -40.38 11.00 coo 63.14 29.39 46.25 63.84 31.31 45.74 35.47 -42.81 11.09 36.89 -44.38 11.18 1bs4_c02 source 1bs4 PEPTIDE DEFORMYLASE : 2 hits 1bs4_c02 naa= 3 ULMN 3 1bsj_c00 PEPTIDE DEFORMYLASE user 1 3 # 1 A 50 GLN A 94 GLN^? 4.68 C1 EDO A 102 A 91 LEU A 61 LEU^? 7.92 C2 EDO A 102 A 133 GLU A 64 GLU~? 12.93 C1 EDO A 102 coo 38.23 53.34 67.59 38.84 53.87 69.56 32.05 -24.90 27.25 31.50 -22.83 27.13 coo 35.40 53.22 73.30 35.37 54.87 74.74 28.64 -31.94 26.66 26.84 -31.08 27.62 coo 45.08 56.04 70.60 43.15 55.19 70.77 32.22 -28.58 19.32 33.17 -27.36 17.86 ULMN 3 1bsj_c00 PEPTIDE DEFORMYLASE user 2 3 # 2 A 50 GLN B 94 GLN^? 10.06 OXT ACT B 102 A 91 LEU B 61 LEU^? 9.55 O ACT B 102 A 133 GLU B 64 GLU~? 15.64 C1 EDO A 104 coo 38.23 53.34 67.59 38.84 53.87 69.56 28.74 -46.41 7.61 28.49 -48.49 8.10 coo 35.40 53.22 73.30 35.37 54.87 74.74 27.55 -39.08 10.62 25.77 -40.38 11.00 coo 45.08 56.04 70.60 43.15 55.19 70.77 35.47 -42.81 11.09 36.89 -44.38 11.18 1bsj_c00 source 1bsj PEPTIDE DEFORMYLASE : 2 hits 1bsj_c00 naa= 3 ULMN 3 1bvz_c08 ALPHA-AMYLASE II user 1 3 # 1 A 325 ASP A 62 ASP^? -3.71 O1 EDO A 104s A 354 GLU B 36 GLU.? 4.68 C1 EDO A 104 A 421 ASP B 62 ASP^? 10.84 C1 EDO B 105 coo 31.05 49.37 64.51 31.97 51.11 63.85 29.38 -36.88 23.98 30.56 -38.20 22.76 coo 29.07 50.42 58.36 29.02 52.18 59.49 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 30.82 59.76 58.47 31.12 59.02 60.40 30.23 -34.29 11.39 31.86 -33.00 11.08 ULMN 3 1bvz_c08 ALPHA-AMYLASE II user 2 3 # 2 A 325 ASP A 65 ASP~? 10.10 C1 EDO A 104 A 354 GLU A 36 GLU.? 4.60 C2 EDO A 104 A 421 ASP B 72 ASP~? -3.91 O2 EDO A 104s coo 31.05 49.37 64.51 31.97 51.11 63.85 26.58 -32.44 17.88 27.18 -32.00 15.88 coo 29.07 50.42 58.36 29.02 52.18 59.49 25.24 -36.15 22.76 23.21 -36.44 22.19 coo 30.82 59.76 58.47 31.12 59.02 60.40 26.38 -44.91 20.83 26.53 -45.26 22.94 ULMN 3 1bvz_c08 ALPHA-AMYLASE II user 3 3 # 3 A 325 ASP A 65 ASP~? 10.10 C1 EDO A 104 A 354 GLU B 36 GLU.? 4.68 C1 EDO A 104 A 421 ASP B 60 ASP^? 5.67 C1 EDO B 105 coo 31.05 49.37 64.51 31.97 51.11 63.85 26.58 -32.44 17.88 27.18 -32.00 15.88 coo 29.07 50.42 58.36 29.02 52.18 59.49 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 30.82 59.76 58.47 31.12 59.02 60.40 24.76 -37.09 5.99 24.21 -37.69 4.07 ULMN 3 1bvz_c08 ALPHA-AMYLASE II user 4 3 # 4 A 325 ASP A 65 ASP~? 10.10 C1 EDO A 104 A 354 GLU B 36 GLU.? 4.68 C1 EDO A 104 A 421 ASP B 72 ASP~? -3.91 O2 EDO A 104s coo 31.05 49.37 64.51 31.97 51.11 63.85 26.58 -32.44 17.88 27.18 -32.00 15.88 coo 29.07 50.42 58.36 29.02 52.18 59.49 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 30.82 59.76 58.47 31.12 59.02 60.40 26.38 -44.91 20.83 26.53 -45.26 22.94 ULMN 3 1bvz_c08 ALPHA-AMYLASE II user 5 3 # 5 A 325 ASP B 65 ASP~? 10.18 C1 EDO A 104 A 354 GLU B 36 GLU.? 4.68 C1 EDO A 104 A 421 ASP B 60 ASP^? 5.67 C1 EDO B 105 coo 31.05 49.37 64.51 31.97 51.11 63.85 33.69 -38.88 16.48 35.60 -39.38 17.27 coo 29.07 50.42 58.36 29.02 52.18 59.49 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 30.82 59.76 58.47 31.12 59.02 60.40 24.76 -37.09 5.99 24.21 -37.69 4.07 ULMN 3 1bvz_c08 ALPHA-AMYLASE II user 6 3 # 6 A 325 ASP B 65 ASP~? 10.18 C1 EDO A 104 A 354 GLU B 36 GLU.? 4.68 C1 EDO A 104 A 421 ASP B 72 ASP~? -3.91 O2 EDO A 104s coo 31.05 49.37 64.51 31.97 51.11 63.85 33.69 -38.88 16.48 35.60 -39.38 17.27 coo 29.07 50.42 58.36 29.02 52.18 59.49 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 30.82 59.76 58.47 31.12 59.02 60.40 26.38 -44.91 20.83 26.53 -45.26 22.94 1bvz_c08 source 1bvz ALPHA-AMYLASE II : 6 hits 1bvz_c08 naa= 3 ULMN 3 1bvz_c09 ALPHA-AMYLASE II user 1 3 # 1 B 325 ASP A 65 ASP~? 10.10 C1 EDO A 104 B 354 GLU A 36 GLU.? 4.60 C2 EDO A 104 B 421 ASP A 72 ASP~? 9.41 O1 EDO A 102 coo 25.90 8.19 53.87 25.36 6.97 52.29 26.58 -32.44 17.88 27.18 -32.00 15.88 coo 27.87 10.66 47.95 27.82 8.60 48.27 25.24 -36.15 22.76 23.21 -36.44 22.19 coo 26.02 1.87 43.38 25.90 1.97 45.49 19.04 -26.10 21.93 20.11 -24.78 20.72 ULMN 3 1bvz_c09 ALPHA-AMYLASE II user 2 3 # 2 B 325 ASP A 65 ASP~? 10.10 C1 EDO A 104 B 354 GLU A 36 GLU.? 4.60 C2 EDO A 104 B 421 ASP B 72 ASP~? -3.91 O2 EDO A 104s coo 25.90 8.19 53.87 25.36 6.97 52.29 26.58 -32.44 17.88 27.18 -32.00 15.88 coo 27.87 10.66 47.95 27.82 8.60 48.27 25.24 -36.15 22.76 23.21 -36.44 22.19 coo 26.02 1.87 43.38 25.90 1.97 45.49 26.38 -44.91 20.83 26.53 -45.26 22.94 ULMN 3 1bvz_c09 ALPHA-AMYLASE II user 3 3 # 3 B 325 ASP A 65 ASP~? 10.10 C1 EDO A 104 B 354 GLU A 36 GLU.? 4.60 C2 EDO A 104 B 421 ASP B 75 ASP~? 7.34 C2 EDO A 105 coo 25.90 8.19 53.87 25.36 6.97 52.29 26.58 -32.44 17.88 27.18 -32.00 15.88 coo 27.87 10.66 47.95 27.82 8.60 48.27 25.24 -36.15 22.76 23.21 -36.44 22.19 coo 26.02 1.87 43.38 25.90 1.97 45.49 16.30 -41.75 19.83 15.36 -40.72 21.44 ULMN 3 1bvz_c09 ALPHA-AMYLASE II user 4 3 # 4 B 325 ASP B 65 ASP~? 10.18 C1 EDO A 104 B 354 GLU B 36 GLU.? 4.68 C1 EDO A 104 B 421 ASP B 60 ASP^? 5.67 C1 EDO B 105 coo 25.90 8.19 53.87 25.36 6.97 52.29 33.69 -38.88 16.48 35.60 -39.38 17.27 coo 27.87 10.66 47.95 27.82 8.60 48.27 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 26.02 1.87 43.38 25.90 1.97 45.49 24.76 -37.09 5.99 24.21 -37.69 4.07 ULMN 3 1bvz_c09 ALPHA-AMYLASE II user 5 3 # 5 B 325 ASP B 65 ASP~? 10.18 C1 EDO A 104 B 354 GLU B 36 GLU.? 4.68 C1 EDO A 104 B 421 ASP B 72 ASP~? -3.91 O2 EDO A 104s coo 25.90 8.19 53.87 25.36 6.97 52.29 33.69 -38.88 16.48 35.60 -39.38 17.27 coo 27.87 10.66 47.95 27.82 8.60 48.27 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 26.02 1.87 43.38 25.90 1.97 45.49 26.38 -44.91 20.83 26.53 -45.26 22.94 1bvz_c09 source 1bvz ALPHA-AMYLASE II : 5 hits 1bvz_c09 naa= 3 ULMN 3 1c82_c01 HYALURONATE LYASE user 1 3 # 1 A 399 HIS B 73 HIS~? 5.11 C2 EDO A 104 A 408 TYR B 70 TYR~? -4.61 O ACT B 102s A 462 ARG B 77 ARG~? 7.48 O2 EDO A 104 coo 13.02 -18.02 35.24 12.75 -16.25 34.15 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 7.81 -17.82 32.55 9.60 -15.69 32.78 23.57 -42.42 13.63 21.81 -43.83 12.00 coo 10.34 -11.56 38.02 10.61 -11.96 35.00 21.83 -48.69 21.52 20.83 -47.48 24.21 ULMN 3 1c82_c01 HYALURONATE LYASE user 2 3 # 2 A 399 HIS B 76 HIS~? -3.94 OXT ACT B 102s A 408 TYR B 70 TYR~? -4.61 O ACT B 102s A 462 ARG B 77 ARG~? 7.48 O2 EDO A 104 coo 13.02 -18.02 35.24 12.75 -16.25 34.15 20.42 -45.46 15.69 21.14 -46.68 14.13 coo 7.81 -17.82 32.55 9.60 -15.69 32.78 23.57 -42.42 13.63 21.81 -43.83 12.00 coo 10.34 -11.56 38.02 10.61 -11.96 35.00 21.83 -48.69 21.52 20.83 -47.48 24.21 1c82_c01 source 1c82 HYALURONATE LYASE : 2 hits 1c82_c01 naa= 3 ULMN 3 1cb7_c06 GLUTAMATE MUTASE user 1 3 # 1 A 14 ASP A 72 ASP~? 9.41 O1 EDO A 102 A 16 HIS A 73 HIS~? -4.02 O2 EDO A 105s A 67 GLY A 66 GLY~? 7.08 O1 EDO A 104 coo 11.02 -13.08 77.25 10.70 -11.13 76.52 19.04 -26.10 21.93 20.11 -24.78 20.72 coo 7.44 -8.54 76.22 7.57 -7.67 78.12 17.06 -30.49 26.75 15.82 -32.02 27.49 coo 18.64 -11.26 77.99 18.99 -11.13 78.72 26.20 -32.54 22.39 26.37 -31.76 22.09 ULMN 3 1cb7_c06 GLUTAMATE MUTASE user 2 3 # 2 A 14 ASP A 72 ASP~? 9.41 O1 EDO A 102 A 16 HIS A 76 HIS~? 3.91 O2 EDO A 102s A 67 GLY A 66 GLY~? 7.08 O1 EDO A 104 coo 11.02 -13.08 77.25 10.70 -11.13 76.52 19.04 -26.10 21.93 20.11 -24.78 20.72 coo 7.44 -8.54 76.22 7.57 -7.67 78.12 20.68 -25.44 29.29 22.44 -24.37 29.64 coo 18.64 -11.26 77.99 18.99 -11.13 78.72 26.20 -32.54 22.39 26.37 -31.76 22.09 ULMN 3 1cb7_c06 GLUTAMATE MUTASE user 3 3 # 3 A 14 ASP B 72 ASP~? -3.91 O2 EDO A 104s A 16 HIS B 73 HIS~? 5.11 C2 EDO A 104 A 67 GLY B 66 GLY~? 8.19 C1 EDO A 104 coo 11.02 -13.08 77.25 10.70 -11.13 76.52 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 7.44 -8.54 76.22 7.57 -7.67 78.12 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 18.64 -11.26 77.99 18.99 -11.13 78.72 29.58 -38.78 14.56 29.91 -39.54 14.52 ULMN 3 1cb7_c06 GLUTAMATE MUTASE user 4 3 # 4 A 14 ASP B 72 ASP~? -3.91 O2 EDO A 104s A 16 HIS B 76 HIS~? -3.94 OXT ACT B 102s A 67 GLY B 66 GLY~? 8.19 C1 EDO A 104 coo 11.02 -13.08 77.25 10.70 -11.13 76.52 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 7.44 -8.54 76.22 7.57 -7.67 78.12 20.42 -45.46 15.69 21.14 -46.68 14.13 coo 18.64 -11.26 77.99 18.99 -11.13 78.72 29.58 -38.78 14.56 29.91 -39.54 14.52 1cb7_c06 source 1cb7 GLUTAMATE MUTASE : 4 hits 1cb7_c06 naa= 3 ULMN 3 1cb7_c07 GLUTAMATE MUTASE user 1 3 # 1 C 14 ASP A 72 ASP~? 9.41 O1 EDO A 102 C 16 HIS A 73 HIS~? -4.02 O2 EDO A 105s C 67 GLY A 66 GLY~? 7.08 O1 EDO A 104 coo 10.04 44.27 88.44 9.47 42.32 89.03 19.04 -26.10 21.93 20.11 -24.78 20.72 coo 6.38 39.80 88.71 6.88 38.89 86.87 17.06 -30.49 26.75 15.82 -32.02 27.49 coo 17.63 42.50 89.25 18.11 42.29 88.64 26.20 -32.54 22.39 26.37 -31.76 22.09 ULMN 3 1cb7_c07 GLUTAMATE MUTASE user 2 3 # 2 C 14 ASP A 72 ASP~? 9.41 O1 EDO A 102 C 16 HIS A 76 HIS~? 3.91 O2 EDO A 102s C 67 GLY A 66 GLY~? 7.08 O1 EDO A 104 coo 10.04 44.27 88.44 9.47 42.32 89.03 19.04 -26.10 21.93 20.11 -24.78 20.72 coo 6.38 39.80 88.71 6.88 38.89 86.87 20.68 -25.44 29.29 22.44 -24.37 29.64 coo 17.63 42.50 89.25 18.11 42.29 88.64 26.20 -32.54 22.39 26.37 -31.76 22.09 ULMN 3 1cb7_c07 GLUTAMATE MUTASE user 3 3 # 3 C 14 ASP B 72 ASP~? -3.91 O2 EDO A 104s C 16 HIS B 73 HIS~? 5.11 C2 EDO A 104 C 67 GLY B 66 GLY~? 8.19 C1 EDO A 104 coo 10.04 44.27 88.44 9.47 42.32 89.03 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 6.38 39.80 88.71 6.88 38.89 86.87 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 17.63 42.50 89.25 18.11 42.29 88.64 29.58 -38.78 14.56 29.91 -39.54 14.52 1cb7_c07 source 1cb7 GLUTAMATE MUTASE : 3 hits 1cb7_c07 naa= 3 ULMN 3 1cb8_c01 CHONDROITINASE AC user 1 3 # 1 A 225 HIS B 73 HIS~? 5.11 C2 EDO A 104 A 234 TYR B 70 TYR~? -4.61 O ACT B 102s A 288 ARG B 77 ARG~? 7.48 O2 EDO A 104 coo 27.04 28.61 41.75 26.86 28.65 43.84 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 21.80 30.48 43.67 23.70 29.06 45.12 23.57 -42.42 13.63 21.81 -43.83 12.00 coo 24.79 22.62 45.60 24.87 25.42 46.81 21.83 -48.69 21.52 20.83 -47.48 24.21 ULMN 3 1cb8_c01 CHONDROITINASE AC user 2 3 # 2 A 225 HIS B 76 HIS~? -3.94 OXT ACT B 102s A 234 TYR B 70 TYR~? -4.61 O ACT B 102s A 288 ARG B 77 ARG~? 7.48 O2 EDO A 104 coo 27.04 28.61 41.75 26.86 28.65 43.84 20.42 -45.46 15.69 21.14 -46.68 14.13 coo 21.80 30.48 43.67 23.70 29.06 45.12 23.57 -42.42 13.63 21.81 -43.83 12.00 coo 24.79 22.62 45.60 24.87 25.42 46.81 21.83 -48.69 21.52 20.83 -47.48 24.21 1cb8_c01 source 1cb8 CHONDROITINASE AC : 2 hits 1cb8_c01 naa= 3 ULMN 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 1 3 # 1 229 ASP A 13 ASP.? 6.05 O1 EDO A 108 264 GLU A 21 GLU~? 11.32 C1 EDO A 106 328 ASP A 54 ASP.? 2.78 C2 EDO A 108s coo 45.62 80.42 43.69 45.65 82.01 45.07 21.76 -7.39 47.19 23.64 -6.46 47.40 coo 59.69 92.71 39.85 58.53 92.03 41.47 17.89 -24.66 50.01 19.30 -26.30 49.92 coo 45.39 90.72 40.63 45.07 89.14 41.90 27.81 -17.65 45.48 28.28 -15.77 46.28 ULMN 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 2 3 # 2 229 ASP A 75 ASP~? -3.37 CL CL A 101s 264 GLU A 64 GLU~? 12.93 C1 EDO A 102 328 ASP A 72 ASP~? 9.41 O1 EDO A 102 coo 45.62 80.42 43.69 45.65 82.01 45.07 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 59.69 92.71 39.85 58.53 92.03 41.47 32.22 -28.58 19.32 33.17 -27.36 17.86 coo 45.39 90.72 40.63 45.07 89.14 41.90 19.04 -26.10 21.93 20.11 -24.78 20.72 ULMN 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 3 3 # 3 229 ASP A 75 ASP~? -3.37 CL CL A 101s 264 GLU B 36 GLU.? 4.68 C1 EDO A 104 328 ASP A 72 ASP~? 9.41 O1 EDO A 102 coo 45.62 80.42 43.69 45.65 82.01 45.07 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 59.69 92.71 39.85 58.53 92.03 41.47 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 45.39 90.72 40.63 45.07 89.14 41.90 19.04 -26.10 21.93 20.11 -24.78 20.72 ULMN 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 4 3 # 4 229 ASP A 89 ASP^? -2.90 O1 EDO A 107s 264 GLU A 21 GLU~? 11.32 C1 EDO A 106 328 ASP A 54 ASP.? 2.78 C2 EDO A 108s coo 45.62 80.42 43.69 45.65 82.01 45.07 29.57 -11.85 38.15 30.81 -11.99 36.52 coo 59.69 92.71 39.85 58.53 92.03 41.47 17.89 -24.66 50.01 19.30 -26.30 49.92 coo 45.39 90.72 40.63 45.07 89.14 41.90 27.81 -17.65 45.48 28.28 -15.77 46.28 ULMN 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 5 3 # 5 229 ASP B 13 ASP.? 22.26 CH3 ACT B 102 264 GLU B 21 GLU~? 5.95 C2 EDO B 104 328 ASP B 54 ASP.? 14.05 O2 EDO B 104 coo 45.62 80.42 43.69 45.65 82.01 45.07 6.46 -63.72 5.72 6.54 -64.46 3.76 coo 59.69 92.71 39.85 58.53 92.03 41.47 2.71 -45.99 6.84 3.51 -44.02 6.67 coo 45.39 90.72 40.63 45.07 89.14 41.90 11.31 -53.68 1.37 10.81 -55.59 0.54 ULMN 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 6 3 # 6 229 ASP B 75 ASP~? 7.34 C2 EDO A 105 264 GLU B 64 GLU~? 15.64 C1 EDO A 104 328 ASP B 72 ASP~? -3.91 O2 EDO A 104s coo 45.62 80.42 43.69 45.65 82.01 45.07 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 59.69 92.71 39.85 58.53 92.03 41.47 35.47 -42.81 11.09 36.89 -44.38 11.18 coo 45.39 90.72 40.63 45.07 89.14 41.90 26.38 -44.91 20.83 26.53 -45.26 22.94 ULMN 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 7 3 # 7 229 ASP B 89 ASP^? 14.56 OXT ACT B 102 264 GLU B 21 GLU~? 5.95 C2 EDO B 104 328 ASP B 54 ASP.? 14.05 O2 EDO B 104 coo 45.62 80.42 43.69 45.65 82.01 45.07 18.24 -59.30 3.92 20.30 -59.15 3.66 coo 59.69 92.71 39.85 58.53 92.03 41.47 2.71 -45.99 6.84 3.51 -44.02 6.67 coo 45.39 90.72 40.63 45.07 89.14 41.90 11.31 -53.68 1.37 10.81 -55.59 0.54 1cdg_c00 source 1cdg CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.C.2.4.1.19: 7 hits 1cdg_c00 naa= 3 ULMN 3 1cdg_c04 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 1 3 # 1 229 ASP A 62 ASP^? -3.71 O1 EDO A 104s 257 GLU B 36 GLU.? 4.68 C1 EDO A 104 328 ASP B 65 ASP~? 10.18 C1 EDO A 104 coo 45.62 80.42 43.69 45.65 82.01 45.07 29.38 -36.88 23.98 30.56 -38.20 22.76 coo 48.97 85.16 40.39 47.18 86.25 40.47 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 45.39 90.72 40.63 45.07 89.14 41.90 33.69 -38.88 16.48 35.60 -39.38 17.27 ULMN 3 1cdg_c04 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 2 3 # 2 229 ASP B 65 ASP~? 10.18 C1 EDO A 104 257 GLU B 36 GLU.? 4.68 C1 EDO A 104 328 ASP A 62 ASP^? -3.71 O1 EDO A 104s coo 45.62 80.42 43.69 45.65 82.01 45.07 33.69 -38.88 16.48 35.60 -39.38 17.27 coo 48.97 85.16 40.39 47.18 86.25 40.47 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 45.39 90.72 40.63 45.07 89.14 41.90 29.38 -36.88 23.98 30.56 -38.20 22.76 1cdg_c04 source 1cdg CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.C.2.4.1.19: 2 hits 1cdg_c04 naa= 3 ULMN 3 1cs1_c00 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 # 1 A 101 TYR A -3 TYR.? 8.43 O1 EDO A 104 A 173 ASP A 62 ASP^? -3.71 O1 EDO A 104s C 48 ARG B 68 ARG~? 13.19 C1 EDO A 104 coo 25.00 -3.03 25.68 27.14 -4.51 26.75 32.49 -44.83 26.57 32.70 -46.37 24.23 coo 24.35 4.55 25.11 25.94 3.23 25.53 29.38 -36.88 23.98 30.56 -38.20 22.76 coo 29.84 -5.31 33.83 28.87 -5.97 30.97 31.65 -46.03 15.78 32.85 -48.29 14.05 ULMN 3 1cs1_c00 CYSTATHIONINE GAMMA-SYNTHASE user 2 3 # 2 A 101 TYR A 53 TYR.? -5.67 C2 EDO A 110s A 173 ASP A 45 ASP.? -3.72 C2 EDO A 111s C 48 ARG A 90 ARG^? 3.92 O2 NBZ A 112s coo 25.00 -3.03 25.68 27.14 -4.51 26.75 32.28 -15.98 41.58 32.53 -13.67 40.07 coo 24.35 4.55 25.11 25.94 3.23 25.53 31.14 -21.11 47.49 33.11 -20.89 48.17 coo 29.84 -5.31 33.83 28.87 -5.97 30.97 26.51 -17.50 33.30 27.88 -18.98 30.96 ULMN 3 1cs1_c00 CYSTATHIONINE GAMMA-SYNTHASE user 3 3 # 3 A 101 TYR A 70 TYR~? 4.47 O2 EDO A 103s A 173 ASP A 75 ASP~? -3.37 CL CL A 101s C 48 ARG A 68 ARG~? 7.24 O1 EDO A 102 coo 25.00 -3.03 25.68 27.14 -4.51 26.75 23.80 -29.17 27.91 24.12 -28.60 30.60 coo 24.35 4.55 25.11 25.94 3.23 25.53 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 29.84 -5.31 33.83 28.87 -5.97 30.97 26.63 -25.29 20.33 28.77 -23.06 20.70 ULMN 3 1cs1_c00 CYSTATHIONINE GAMMA-SYNTHASE user 4 3 # 4 A 101 TYR B 53 TYR.? 14.89 OXT ACT B 102 A 173 ASP B 45 ASP.? 12.26 O2 EDO B 104 C 48 ARG B 90 ARG^? 7.30 OXT ACT B 102 coo 25.00 -3.03 25.68 27.14 -4.51 26.75 17.12 -55.21 -0.25 18.76 -57.47 0.21 coo 24.35 4.55 25.11 25.94 3.23 25.53 11.53 -50.18 -2.63 12.16 -50.45 -4.66 coo 29.84 -5.31 33.83 28.87 -5.97 30.97 20.94 -53.69 9.07 23.65 -52.18 9.23 ULMN 3 1cs1_c00 CYSTATHIONINE GAMMA-SYNTHASE user 5 3 # 5 A 101 TYR B 53 TYR.? 14.89 OXT ACT B 102 A 173 ASP B 54 ASP.? 14.05 O2 EDO B 104 C 48 ARG B 90 ARG^? 7.30 OXT ACT B 102 coo 25.00 -3.03 25.68 27.14 -4.51 26.75 17.12 -55.21 -0.25 18.76 -57.47 0.21 coo 24.35 4.55 25.11 25.94 3.23 25.53 11.31 -53.68 1.37 10.81 -55.59 0.54 coo 29.84 -5.31 33.83 28.87 -5.97 30.97 20.94 -53.69 9.07 23.65 -52.18 9.23 ULMN 3 1cs1_c00 CYSTATHIONINE GAMMA-SYNTHASE user 6 3 # 6 A 101 TYR B 70 TYR~? -4.61 O ACT B 102s A 173 ASP B 60 ASP^? 5.67 C1 EDO B 105 C 48 ARG B 68 ARG~? 13.19 C1 EDO A 104 coo 25.00 -3.03 25.68 27.14 -4.51 26.75 23.57 -42.42 13.63 21.81 -43.83 12.00 coo 24.35 4.55 25.11 25.94 3.23 25.53 24.76 -37.09 5.99 24.21 -37.69 4.07 coo 29.84 -5.31 33.83 28.87 -5.97 30.97 31.65 -46.03 15.78 32.85 -48.29 14.05 1cs1_c00 source 1cs1 CYSTATHIONINE GAMMA-SYNTHASE : 6 hits 1cs1_c00 naa= 3 ULMN 3 1cs1_c01 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 # 1 A 48 ARG A 68 ARG~? 7.24 O1 EDO A 102 C 101 TYR A 70 TYR~? 4.47 O2 EDO A 103s C 173 ASP A 75 ASP~? -3.37 CL CL A 101s coo 32.27 5.62 48.15 31.93 6.48 51.06 26.63 -25.29 20.33 28.77 -23.06 20.70 coo 29.64 3.64 57.39 31.22 5.14 55.65 23.80 -29.17 27.91 24.12 -28.60 30.60 coo 28.89 -3.78 58.23 30.38 -2.57 57.33 16.12 -29.42 31.11 14.94 -31.11 31.50 ULMN 3 1cs1_c01 CYSTATHIONINE GAMMA-SYNTHASE user 2 3 # 2 A 48 ARG A 90 ARG^? 3.92 O2 NBZ A 112s C 101 TYR A 53 TYR.? -5.67 C2 EDO A 110s C 173 ASP A 45 ASP.? -3.72 C2 EDO A 111s coo 32.27 5.62 48.15 31.93 6.48 51.06 26.51 -17.50 33.30 27.88 -18.98 30.96 coo 29.64 3.64 57.39 31.22 5.14 55.65 32.28 -15.98 41.58 32.53 -13.67 40.07 coo 28.89 -3.78 58.23 30.38 -2.57 57.33 31.14 -21.11 47.49 33.11 -20.89 48.17 ULMN 3 1cs1_c01 CYSTATHIONINE GAMMA-SYNTHASE user 3 3 # 3 A 48 ARG A 90 ARG^? 3.92 O2 NBZ A 112s C 101 TYR A 53 TYR.? -5.67 C2 EDO A 110s C 173 ASP A 54 ASP.? 2.78 C2 EDO A 108s coo 32.27 5.62 48.15 31.93 6.48 51.06 26.51 -17.50 33.30 27.88 -18.98 30.96 coo 29.64 3.64 57.39 31.22 5.14 55.65 32.28 -15.98 41.58 32.53 -13.67 40.07 coo 28.89 -3.78 58.23 30.38 -2.57 57.33 27.81 -17.65 45.48 28.28 -15.77 46.28 ULMN 3 1cs1_c01 CYSTATHIONINE GAMMA-SYNTHASE user 4 3 # 4 A 48 ARG B 68 ARG~? 13.19 C1 EDO A 104 C 101 TYR A -3 TYR.? 8.43 O1 EDO A 104 C 173 ASP A 62 ASP^? -3.71 O1 EDO A 104s coo 32.27 5.62 48.15 31.93 6.48 51.06 31.65 -46.03 15.78 32.85 -48.29 14.05 coo 29.64 3.64 57.39 31.22 5.14 55.65 32.49 -44.83 26.57 32.70 -46.37 24.23 coo 28.89 -3.78 58.23 30.38 -2.57 57.33 29.38 -36.88 23.98 30.56 -38.20 22.76 ULMN 3 1cs1_c01 CYSTATHIONINE GAMMA-SYNTHASE user 5 3 # 5 A 48 ARG B 68 ARG~? 13.19 C1 EDO A 104 C 101 TYR B 70 TYR~? -4.61 O ACT B 102s C 173 ASP B 60 ASP^? 5.67 C1 EDO B 105 coo 32.27 5.62 48.15 31.93 6.48 51.06 31.65 -46.03 15.78 32.85 -48.29 14.05 coo 29.64 3.64 57.39 31.22 5.14 55.65 23.57 -42.42 13.63 21.81 -43.83 12.00 coo 28.89 -3.78 58.23 30.38 -2.57 57.33 24.76 -37.09 5.99 24.21 -37.69 4.07 ULMN 3 1cs1_c01 CYSTATHIONINE GAMMA-SYNTHASE user 6 3 # 6 A 48 ARG B 90 ARG^? 7.30 OXT ACT B 102 C 101 TYR B 53 TYR.? 14.89 OXT ACT B 102 C 173 ASP B 45 ASP.? 12.26 O2 EDO B 104 coo 32.27 5.62 48.15 31.93 6.48 51.06 20.94 -53.69 9.07 23.65 -52.18 9.23 coo 29.64 3.64 57.39 31.22 5.14 55.65 17.12 -55.21 -0.25 18.76 -57.47 0.21 coo 28.89 -3.78 58.23 30.38 -2.57 57.33 11.53 -50.18 -2.63 12.16 -50.45 -4.66 ULMN 3 1cs1_c01 CYSTATHIONINE GAMMA-SYNTHASE user 7 3 # 7 A 48 ARG B 90 ARG^? 7.30 OXT ACT B 102 C 101 TYR B 53 TYR.? 14.89 OXT ACT B 102 C 173 ASP B 54 ASP.? 14.05 O2 EDO B 104 coo 32.27 5.62 48.15 31.93 6.48 51.06 20.94 -53.69 9.07 23.65 -52.18 9.23 coo 29.64 3.64 57.39 31.22 5.14 55.65 17.12 -55.21 -0.25 18.76 -57.47 0.21 coo 28.89 -3.78 58.23 30.38 -2.57 57.33 11.31 -53.68 1.37 10.81 -55.59 0.54 1cs1_c01 source 1cs1 CYSTATHIONINE GAMMA-SYNTHASE : 7 hits 1cs1_c01 naa= 3 ULMN 3 1cs1_c02 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 # 1 B 48 ARG A 68 ARG~? 7.24 O1 EDO A 102 D 101 TYR A 70 TYR~? 4.47 O2 EDO A 103s D 173 ASP A 75 ASP~? -3.37 CL CL A 101s coo 69.08 8.58 32.60 69.70 10.81 30.58 26.63 -25.29 20.33 28.77 -23.06 20.70 coo 71.77 11.86 24.26 70.23 12.22 26.56 23.80 -29.17 27.91 24.12 -28.60 30.60 coo 71.60 6.14 19.25 70.26 6.87 20.69 16.12 -29.42 31.11 14.94 -31.11 31.50 ULMN 3 1cs1_c02 CYSTATHIONINE GAMMA-SYNTHASE user 2 3 # 2 B 48 ARG A 90 ARG^? 3.92 O2 NBZ A 112s D 101 TYR A 53 TYR.? -5.67 C2 EDO A 110s D 173 ASP A 45 ASP.? -3.72 C2 EDO A 111s coo 69.08 8.58 32.60 69.70 10.81 30.58 26.51 -17.50 33.30 27.88 -18.98 30.96 coo 71.77 11.86 24.26 70.23 12.22 26.56 32.28 -15.98 41.58 32.53 -13.67 40.07 coo 71.60 6.14 19.25 70.26 6.87 20.69 31.14 -21.11 47.49 33.11 -20.89 48.17 ULMN 3 1cs1_c02 CYSTATHIONINE GAMMA-SYNTHASE user 3 3 # 3 B 48 ARG A 90 ARG^? 3.92 O2 NBZ A 112s D 101 TYR A 53 TYR.? -5.67 C2 EDO A 110s D 173 ASP A 54 ASP.? 2.78 C2 EDO A 108s coo 69.08 8.58 32.60 69.70 10.81 30.58 26.51 -17.50 33.30 27.88 -18.98 30.96 coo 71.77 11.86 24.26 70.23 12.22 26.56 32.28 -15.98 41.58 32.53 -13.67 40.07 coo 71.60 6.14 19.25 70.26 6.87 20.69 27.81 -17.65 45.48 28.28 -15.77 46.28 ULMN 3 1cs1_c02 CYSTATHIONINE GAMMA-SYNTHASE user 4 3 # 4 B 48 ARG B 68 ARG~? 13.19 C1 EDO A 104 D 101 TYR A -3 TYR.? 8.43 O1 EDO A 104 D 173 ASP A 62 ASP^? -3.71 O1 EDO A 104s coo 69.08 8.58 32.60 69.70 10.81 30.58 31.65 -46.03 15.78 32.85 -48.29 14.05 coo 71.77 11.86 24.26 70.23 12.22 26.56 32.49 -44.83 26.57 32.70 -46.37 24.23 coo 71.60 6.14 19.25 70.26 6.87 20.69 29.38 -36.88 23.98 30.56 -38.20 22.76 ULMN 3 1cs1_c02 CYSTATHIONINE GAMMA-SYNTHASE user 5 3 # 5 B 48 ARG B 68 ARG~? 13.19 C1 EDO A 104 D 101 TYR B 70 TYR~? -4.61 O ACT B 102s D 173 ASP B 60 ASP^? 5.67 C1 EDO B 105 coo 69.08 8.58 32.60 69.70 10.81 30.58 31.65 -46.03 15.78 32.85 -48.29 14.05 coo 71.77 11.86 24.26 70.23 12.22 26.56 23.57 -42.42 13.63 21.81 -43.83 12.00 coo 71.60 6.14 19.25 70.26 6.87 20.69 24.76 -37.09 5.99 24.21 -37.69 4.07 ULMN 3 1cs1_c02 CYSTATHIONINE GAMMA-SYNTHASE user 6 3 # 6 B 48 ARG B 90 ARG^? 7.30 OXT ACT B 102 D 101 TYR B 53 TYR.? 14.89 OXT ACT B 102 D 173 ASP B 45 ASP.? 12.26 O2 EDO B 104 coo 69.08 8.58 32.60 69.70 10.81 30.58 20.94 -53.69 9.07 23.65 -52.18 9.23 coo 71.77 11.86 24.26 70.23 12.22 26.56 17.12 -55.21 -0.25 18.76 -57.47 0.21 coo 71.60 6.14 19.25 70.26 6.87 20.69 11.53 -50.18 -2.63 12.16 -50.45 -4.66 ULMN 3 1cs1_c02 CYSTATHIONINE GAMMA-SYNTHASE user 7 3 # 7 B 48 ARG B 90 ARG^? 7.30 OXT ACT B 102 D 101 TYR B 53 TYR.? 14.89 OXT ACT B 102 D 173 ASP B 54 ASP.? 14.05 O2 EDO B 104 coo 69.08 8.58 32.60 69.70 10.81 30.58 20.94 -53.69 9.07 23.65 -52.18 9.23 coo 71.77 11.86 24.26 70.23 12.22 26.56 17.12 -55.21 -0.25 18.76 -57.47 0.21 coo 71.60 6.14 19.25 70.26 6.87 20.69 11.31 -53.68 1.37 10.81 -55.59 0.54 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 -3 TYR.? 8.43 O1 EDO A 104 B 173 ASP A 62 ASP^? -3.71 O1 EDO A 104s D 48 ARG B 68 ARG~? 13.19 C1 EDO A 104 coo 74.59 -12.57 45.75 72.37 -12.96 44.12 32.49 -44.83 26.57 32.70 -46.37 24.23 coo 76.00 -6.96 50.63 74.29 -7.61 49.57 29.38 -36.88 23.98 30.56 -38.20 22.76 coo 69.39 -8.90 38.17 70.70 -11.19 39.77 31.65 -46.03 15.78 32.85 -48.29 14.05 ULMN 3 1cs1_c03 CYSTATHIONINE GAMMA-SYNTHASE user 2 3 # 2 B 101 TYR A 53 TYR.? -5.67 C2 EDO A 110s B 173 ASP A 45 ASP.? -3.72 C2 EDO A 111s D 48 ARG A 90 ARG^? 3.92 O2 NBZ A 112s coo 74.59 -12.57 45.75 72.37 -12.96 44.12 32.28 -15.98 41.58 32.53 -13.67 40.07 coo 76.00 -6.96 50.63 74.29 -7.61 49.57 31.14 -21.11 47.49 33.11 -20.89 48.17 coo 69.39 -8.90 38.17 70.70 -11.19 39.77 26.51 -17.50 33.30 27.88 -18.98 30.96 ULMN 3 1cs1_c03 CYSTATHIONINE GAMMA-SYNTHASE user 3 3 # 3 B 101 TYR A 53 TYR.? -5.67 C2 EDO A 110s B 173 ASP A 54 ASP.? 2.78 C2 EDO A 108s D 48 ARG A 90 ARG^? 3.92 O2 NBZ A 112s coo 74.59 -12.57 45.75 72.37 -12.96 44.12 32.28 -15.98 41.58 32.53 -13.67 40.07 coo 76.00 -6.96 50.63 74.29 -7.61 49.57 27.81 -17.65 45.48 28.28 -15.77 46.28 coo 69.39 -8.90 38.17 70.70 -11.19 39.77 26.51 -17.50 33.30 27.88 -18.98 30.96 ULMN 3 1cs1_c03 CYSTATHIONINE GAMMA-SYNTHASE user 4 3 # 4 B 101 TYR A 70 TYR~? 4.47 O2 EDO A 103s B 173 ASP A 75 ASP~? -3.37 CL CL A 101s D 48 ARG A 68 ARG~? 7.24 O1 EDO A 102 coo 74.59 -12.57 45.75 72.37 -12.96 44.12 23.80 -29.17 27.91 24.12 -28.60 30.60 coo 76.00 -6.96 50.63 74.29 -7.61 49.57 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 69.39 -8.90 38.17 70.70 -11.19 39.77 26.63 -25.29 20.33 28.77 -23.06 20.70 ULMN 3 1cs1_c03 CYSTATHIONINE GAMMA-SYNTHASE user 5 3 # 5 B 101 TYR B 53 TYR.? 14.89 OXT ACT B 102 B 173 ASP B 45 ASP.? 12.26 O2 EDO B 104 D 48 ARG B 90 ARG^? 7.30 OXT ACT B 102 coo 74.59 -12.57 45.75 72.37 -12.96 44.12 17.12 -55.21 -0.25 18.76 -57.47 0.21 coo 76.00 -6.96 50.63 74.29 -7.61 49.57 11.53 -50.18 -2.63 12.16 -50.45 -4.66 coo 69.39 -8.90 38.17 70.70 -11.19 39.77 20.94 -53.69 9.07 23.65 -52.18 9.23 ULMN 3 1cs1_c03 CYSTATHIONINE GAMMA-SYNTHASE user 6 3 # 6 B 101 TYR B 53 TYR.? 14.89 OXT ACT B 102 B 173 ASP B 54 ASP.? 14.05 O2 EDO B 104 D 48 ARG B 90 ARG^? 7.30 OXT ACT B 102 coo 74.59 -12.57 45.75 72.37 -12.96 44.12 17.12 -55.21 -0.25 18.76 -57.47 0.21 coo 76.00 -6.96 50.63 74.29 -7.61 49.57 11.31 -53.68 1.37 10.81 -55.59 0.54 coo 69.39 -8.90 38.17 70.70 -11.19 39.77 20.94 -53.69 9.07 23.65 -52.18 9.23 ULMN 3 1cs1_c03 CYSTATHIONINE GAMMA-SYNTHASE user 7 3 # 7 B 101 TYR B 70 TYR~? -4.61 O ACT B 102s B 173 ASP B 60 ASP^? 5.67 C1 EDO B 105 D 48 ARG B 68 ARG~? 13.19 C1 EDO A 104 coo 74.59 -12.57 45.75 72.37 -12.96 44.12 23.57 -42.42 13.63 21.81 -43.83 12.00 coo 76.00 -6.96 50.63 74.29 -7.61 49.57 24.76 -37.09 5.99 24.21 -37.69 4.07 coo 69.39 -8.90 38.17 70.70 -11.19 39.77 31.65 -46.03 15.78 32.85 -48.29 14.05 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 49 ALA.? 7.65 O2 EDO A 109 A 74 ASN A 52 ASN.? -6.21 C2 EDO A 111s A 75 GLY A 47 GLY.? 3.97 O2 EDO A 111 coo -1.80 62.71 122.76 -1.88 63.70 123.92 38.56 -18.95 50.55 39.23 -19.49 49.28 coo 1.20 66.40 122.20 2.03 64.53 121.46 35.15 -18.30 46.67 36.80 -19.55 46.81 coo 4.68 65.84 125.52 4.11 65.60 126.05 33.36 -20.64 52.44 33.83 -21.25 52.21 ULMN 3 1ct9_c04 ASPARAGINE SYNTHETASE B user 2 3 # 2 A 1 ALA A 49 ALA.? 7.65 O2 EDO A 109 A 74 ASN A 52 ASN.? -6.21 C2 EDO A 111s A 75 GLY A 51 GLY.? 3.90 C2 EDO A 110s coo -1.80 62.71 122.76 -1.88 63.70 123.92 38.56 -18.95 50.55 39.23 -19.49 49.28 coo 1.20 66.40 122.20 2.03 64.53 121.46 35.15 -18.30 46.67 36.80 -19.55 46.81 coo 4.68 65.84 125.52 4.11 65.60 126.05 36.87 -13.81 47.46 36.62 -14.56 47.63 ULMN 3 1ct9_c04 ASPARAGINE SYNTHETASE B user 3 3 # 3 A 1 ALA A 50 ALA.? 5.15 O2 EDO A 109 A 74 ASN A 52 ASN.? -6.21 C2 EDO A 111s A 75 GLY A 47 GLY.? 3.97 O2 EDO A 111 coo -1.80 62.71 122.76 -1.88 63.70 123.92 37.99 -15.23 50.84 38.91 -14.30 51.64 coo 1.20 66.40 122.20 2.03 64.53 121.46 35.15 -18.30 46.67 36.80 -19.55 46.81 coo 4.68 65.84 125.52 4.11 65.60 126.05 33.36 -20.64 52.44 33.83 -21.25 52.21 ULMN 3 1ct9_c04 ASPARAGINE SYNTHETASE B user 4 3 # 4 A 1 ALA B 49 ALA.? 17.98 O2 EDO B 104 A 74 ASN B 52 ASN.? 15.61 O2 EDO B 104 A 75 GLY B 47 GLY.? 14.06 O2 EDO B 104 coo -1.80 62.71 122.76 -1.88 63.70 123.92 13.00 -52.45 -10.51 14.42 -51.94 -10.34 coo 1.20 66.40 122.20 2.03 64.53 121.46 14.32 -53.01 -5.43 15.07 -51.80 -6.99 coo 4.68 65.84 125.52 4.11 65.60 126.05 8.60 -50.69 -7.18 9.04 -50.08 -7.45 ULMN 3 1ct9_c04 ASPARAGINE SYNTHETASE B user 5 3 # 5 A 1 ALA B 49 ALA.? 17.98 O2 EDO B 104 A 74 ASN B 52 ASN.? 15.61 O2 EDO B 104 A 75 GLY B 51 GLY.? 19.72 O2 EDO B 104 coo -1.80 62.71 122.76 -1.88 63.70 123.92 13.00 -52.45 -10.51 14.42 -51.94 -10.34 coo 1.20 66.40 122.20 2.03 64.53 121.46 14.32 -53.01 -5.43 15.07 -51.80 -6.99 coo 4.68 65.84 125.52 4.11 65.60 126.05 14.56 -57.56 -7.20 14.35 -56.79 -7.14 ULMN 3 1ct9_c04 ASPARAGINE SYNTHETASE B user 6 3 # 6 A 1 ALA B 50 ALA.? 21.64 O2 EDO B 104 A 74 ASN B 52 ASN.? 15.61 O2 EDO B 104 A 75 GLY B 47 GLY.? 14.06 O2 EDO B 104 coo -1.80 62.71 122.76 -1.88 63.70 123.92 12.59 -56.19 -10.12 12.60 -57.13 -11.34 coo 1.20 66.40 122.20 2.03 64.53 121.46 14.32 -53.01 -5.43 15.07 -51.80 -6.99 coo 4.68 65.84 125.52 4.11 65.60 126.05 8.60 -50.69 -7.18 9.04 -50.08 -7.45 1ct9_c04 source 1ct9 ASPARAGINE SYNTHETASE B : 6 hits 1ct9_c04 naa= 3 ULMN 3 1ct9_c05 ASPARAGINE SYNTHETASE B user 1 3 # 1 B 1 ALA A 49 ALA.? 7.65 O2 EDO A 109 B 74 ASN A 52 ASN.? -6.21 C2 EDO A 111s B 75 GLY A 47 GLY.? 3.97 O2 EDO A 111 coo 39.21 14.97 27.55 40.19 16.01 27.08 38.56 -18.95 50.55 39.23 -19.49 49.28 coo 43.06 12.94 25.74 42.26 11.81 27.44 35.15 -18.30 46.67 36.80 -19.55 46.81 coo 46.38 13.54 29.18 46.14 14.29 29.26 33.36 -20.64 52.44 33.83 -21.25 52.21 ULMN 3 1ct9_c05 ASPARAGINE SYNTHETASE B user 2 3 # 2 B 1 ALA A 49 ALA.? 7.65 O2 EDO A 109 B 74 ASN A 52 ASN.? -6.21 C2 EDO A 111s B 75 GLY A 51 GLY.? 3.90 C2 EDO A 110s coo 39.21 14.97 27.55 40.19 16.01 27.08 38.56 -18.95 50.55 39.23 -19.49 49.28 coo 43.06 12.94 25.74 42.26 11.81 27.44 35.15 -18.30 46.67 36.80 -19.55 46.81 coo 46.38 13.54 29.18 46.14 14.29 29.26 36.87 -13.81 47.46 36.62 -14.56 47.63 ULMN 3 1ct9_c05 ASPARAGINE SYNTHETASE B user 3 3 # 3 B 1 ALA A 50 ALA.? 5.15 O2 EDO A 109 B 74 ASN A 52 ASN.? -6.21 C2 EDO A 111s B 75 GLY A 47 GLY.? 3.97 O2 EDO A 111 coo 39.21 14.97 27.55 40.19 16.01 27.08 37.99 -15.23 50.84 38.91 -14.30 51.64 coo 43.06 12.94 25.74 42.26 11.81 27.44 35.15 -18.30 46.67 36.80 -19.55 46.81 coo 46.38 13.54 29.18 46.14 14.29 29.26 33.36 -20.64 52.44 33.83 -21.25 52.21 ULMN 3 1ct9_c05 ASPARAGINE SYNTHETASE B user 4 3 # 4 B 1 ALA B 49 ALA.? 17.98 O2 EDO B 104 B 74 ASN B 52 ASN.? 15.61 O2 EDO B 104 B 75 GLY B 47 GLY.? 14.06 O2 EDO B 104 coo 39.21 14.97 27.55 40.19 16.01 27.08 13.00 -52.45 -10.51 14.42 -51.94 -10.34 coo 43.06 12.94 25.74 42.26 11.81 27.44 14.32 -53.01 -5.43 15.07 -51.80 -6.99 coo 46.38 13.54 29.18 46.14 14.29 29.26 8.60 -50.69 -7.18 9.04 -50.08 -7.45 ULMN 3 1ct9_c05 ASPARAGINE SYNTHETASE B user 5 3 # 5 B 1 ALA B 49 ALA.? 17.98 O2 EDO B 104 B 74 ASN B 52 ASN.? 15.61 O2 EDO B 104 B 75 GLY B 51 GLY.? 19.72 O2 EDO B 104 coo 39.21 14.97 27.55 40.19 16.01 27.08 13.00 -52.45 -10.51 14.42 -51.94 -10.34 coo 43.06 12.94 25.74 42.26 11.81 27.44 14.32 -53.01 -5.43 15.07 -51.80 -6.99 coo 46.38 13.54 29.18 46.14 14.29 29.26 14.56 -57.56 -7.20 14.35 -56.79 -7.14 ULMN 3 1ct9_c05 ASPARAGINE SYNTHETASE B user 6 3 # 6 B 1 ALA B 50 ALA.? 21.64 O2 EDO B 104 B 74 ASN B 52 ASN.? 15.61 O2 EDO B 104 B 75 GLY B 47 GLY.? 14.06 O2 EDO B 104 coo 39.21 14.97 27.55 40.19 16.01 27.08 12.59 -56.19 -10.12 12.60 -57.13 -11.34 coo 43.06 12.94 25.74 42.26 11.81 27.44 14.32 -53.01 -5.43 15.07 -51.80 -6.99 coo 46.38 13.54 29.18 46.14 14.29 29.26 8.60 -50.69 -7.18 9.04 -50.08 -7.45 1ct9_c05 source 1ct9 ASPARAGINE SYNTHETASE B : 6 hits 1ct9_c05 naa= 3 ULMN 3 1ct9_c06 ASPARAGINE SYNTHETASE B user 1 3 # 1 C 1 ALA A 49 ALA.? 7.65 O2 EDO A 109 C 74 ASN A 52 ASN.? -6.21 C2 EDO A 111s C 75 GLY A 47 GLY.? 3.97 O2 EDO A 111 coo 16.14 15.08 36.63 15.28 14.65 37.81 38.56 -18.95 50.55 39.23 -19.49 49.28 coo 11.60 16.13 36.70 12.80 17.74 35.96 35.15 -18.30 46.67 36.80 -19.55 46.81 coo 10.99 19.23 40.32 11.50 18.77 40.74 33.36 -20.64 52.44 33.83 -21.25 52.21 ULMN 3 1ct9_c06 ASPARAGINE SYNTHETASE B user 2 3 # 2 C 1 ALA A 49 ALA.? 7.65 O2 EDO A 109 C 74 ASN A 52 ASN.? -6.21 C2 EDO A 111s C 75 GLY A 51 GLY.? 3.90 C2 EDO A 110s coo 16.14 15.08 36.63 15.28 14.65 37.81 38.56 -18.95 50.55 39.23 -19.49 49.28 coo 11.60 16.13 36.70 12.80 17.74 35.96 35.15 -18.30 46.67 36.80 -19.55 46.81 coo 10.99 19.23 40.32 11.50 18.77 40.74 36.87 -13.81 47.46 36.62 -14.56 47.63 ULMN 3 1ct9_c06 ASPARAGINE SYNTHETASE B user 3 3 # 3 C 1 ALA A 50 ALA.? 5.15 O2 EDO A 109 C 74 ASN A 52 ASN.? -6.21 C2 EDO A 111s C 75 GLY A 47 GLY.? 3.97 O2 EDO A 111 coo 16.14 15.08 36.63 15.28 14.65 37.81 37.99 -15.23 50.84 38.91 -14.30 51.64 coo 11.60 16.13 36.70 12.80 17.74 35.96 35.15 -18.30 46.67 36.80 -19.55 46.81 coo 10.99 19.23 40.32 11.50 18.77 40.74 33.36 -20.64 52.44 33.83 -21.25 52.21 ULMN 3 1ct9_c06 ASPARAGINE SYNTHETASE B user 4 3 # 4 C 1 ALA B 49 ALA.? 17.98 O2 EDO B 104 C 74 ASN B 52 ASN.? 15.61 O2 EDO B 104 C 75 GLY B 47 GLY.? 14.06 O2 EDO B 104 coo 16.14 15.08 36.63 15.28 14.65 37.81 13.00 -52.45 -10.51 14.42 -51.94 -10.34 coo 11.60 16.13 36.70 12.80 17.74 35.96 14.32 -53.01 -5.43 15.07 -51.80 -6.99 coo 10.99 19.23 40.32 11.50 18.77 40.74 8.60 -50.69 -7.18 9.04 -50.08 -7.45 ULMN 3 1ct9_c06 ASPARAGINE SYNTHETASE B user 5 3 # 5 C 1 ALA B 49 ALA.? 17.98 O2 EDO B 104 C 74 ASN B 52 ASN.? 15.61 O2 EDO B 104 C 75 GLY B 51 GLY.? 19.72 O2 EDO B 104 coo 16.14 15.08 36.63 15.28 14.65 37.81 13.00 -52.45 -10.51 14.42 -51.94 -10.34 coo 11.60 16.13 36.70 12.80 17.74 35.96 14.32 -53.01 -5.43 15.07 -51.80 -6.99 coo 10.99 19.23 40.32 11.50 18.77 40.74 14.56 -57.56 -7.20 14.35 -56.79 -7.14 ULMN 3 1ct9_c06 ASPARAGINE SYNTHETASE B user 6 3 # 6 C 1 ALA B 50 ALA.? 21.64 O2 EDO B 104 C 74 ASN B 52 ASN.? 15.61 O2 EDO B 104 C 75 GLY B 47 GLY.? 14.06 O2 EDO B 104 coo 16.14 15.08 36.63 15.28 14.65 37.81 12.59 -56.19 -10.12 12.60 -57.13 -11.34 coo 11.60 16.13 36.70 12.80 17.74 35.96 14.32 -53.01 -5.43 15.07 -51.80 -6.99 coo 10.99 19.23 40.32 11.50 18.77 40.74 8.60 -50.69 -7.18 9.04 -50.08 -7.45 1ct9_c06 source 1ct9 ASPARAGINE SYNTHETASE B : 6 hits 1ct9_c06 naa= 3 ULMN 3 1ct9_c07 ASPARAGINE SYNTHETASE B user 1 3 # 1 D 1 ALA A 49 ALA.? 7.65 O2 EDO A 109 D 74 ASN A 52 ASN.? -6.21 C2 EDO A 111s D 75 GLY A 47 GLY.? 3.97 O2 EDO A 111 coo -13.31 41.90 116.45 -13.05 40.39 116.25 38.56 -18.95 50.55 39.23 -19.49 49.28 coo -16.85 39.36 115.26 -17.55 40.58 116.90 35.15 -18.30 46.67 36.80 -19.55 46.81 coo -17.65 36.37 119.00 -16.85 36.22 119.00 33.36 -20.64 52.44 33.83 -21.25 52.21 ULMN 3 1ct9_c07 ASPARAGINE SYNTHETASE B user 2 3 # 2 D 1 ALA A 49 ALA.? 7.65 O2 EDO A 109 D 74 ASN A 52 ASN.? -6.21 C2 EDO A 111s D 75 GLY A 51 GLY.? 3.90 C2 EDO A 110s coo -13.31 41.90 116.45 -13.05 40.39 116.25 38.56 -18.95 50.55 39.23 -19.49 49.28 coo -16.85 39.36 115.26 -17.55 40.58 116.90 35.15 -18.30 46.67 36.80 -19.55 46.81 coo -17.65 36.37 119.00 -16.85 36.22 119.00 36.87 -13.81 47.46 36.62 -14.56 47.63 ULMN 3 1ct9_c07 ASPARAGINE SYNTHETASE B user 3 3 # 3 D 1 ALA A 50 ALA.? 5.15 O2 EDO A 109 D 74 ASN A 52 ASN.? -6.21 C2 EDO A 111s D 75 GLY A 47 GLY.? 3.97 O2 EDO A 111 coo -13.31 41.90 116.45 -13.05 40.39 116.25 37.99 -15.23 50.84 38.91 -14.30 51.64 coo -16.85 39.36 115.26 -17.55 40.58 116.90 35.15 -18.30 46.67 36.80 -19.55 46.81 coo -17.65 36.37 119.00 -16.85 36.22 119.00 33.36 -20.64 52.44 33.83 -21.25 52.21 ULMN 3 1ct9_c07 ASPARAGINE SYNTHETASE B user 4 3 # 4 D 1 ALA B 49 ALA.? 17.98 O2 EDO B 104 D 74 ASN B 52 ASN.? 15.61 O2 EDO B 104 D 75 GLY B 47 GLY.? 14.06 O2 EDO B 104 coo -13.31 41.90 116.45 -13.05 40.39 116.25 13.00 -52.45 -10.51 14.42 -51.94 -10.34 coo -16.85 39.36 115.26 -17.55 40.58 116.90 14.32 -53.01 -5.43 15.07 -51.80 -6.99 coo -17.65 36.37 119.00 -16.85 36.22 119.00 8.60 -50.69 -7.18 9.04 -50.08 -7.45 ULMN 3 1ct9_c07 ASPARAGINE SYNTHETASE B user 5 3 # 5 D 1 ALA B 49 ALA.? 17.98 O2 EDO B 104 D 74 ASN B 52 ASN.? 15.61 O2 EDO B 104 D 75 GLY B 51 GLY.? 19.72 O2 EDO B 104 coo -13.31 41.90 116.45 -13.05 40.39 116.25 13.00 -52.45 -10.51 14.42 -51.94 -10.34 coo -16.85 39.36 115.26 -17.55 40.58 116.90 14.32 -53.01 -5.43 15.07 -51.80 -6.99 coo -17.65 36.37 119.00 -16.85 36.22 119.00 14.56 -57.56 -7.20 14.35 -56.79 -7.14 ULMN 3 1ct9_c07 ASPARAGINE SYNTHETASE B user 6 3 # 6 D 1 ALA B 50 ALA.? 21.64 O2 EDO B 104 D 74 ASN B 52 ASN.? 15.61 O2 EDO B 104 D 75 GLY B 47 GLY.? 14.06 O2 EDO B 104 coo -13.31 41.90 116.45 -13.05 40.39 116.25 12.59 -56.19 -10.12 12.60 -57.13 -11.34 coo -16.85 39.36 115.26 -17.55 40.58 116.90 14.32 -53.01 -5.43 15.07 -51.80 -6.99 coo -17.65 36.37 119.00 -16.85 36.22 119.00 8.60 -50.69 -7.18 9.04 -50.08 -7.45 1ct9_c07 source 1ct9 ASPARAGINE SYNTHETASE B : 6 hits 1ct9_c07 naa= 3 ULMN 3 1ctn_c00 CHITINASE A (E.C.3.2.1.14) (PH 5.5, user 1 3 # 1 313 ASP A 62 ASP^? -3.71 O1 EDO A 104s 315 GLU A 36 GLU.? 4.60 C2 EDO A 104 390 TYR B 70 TYR~? -4.61 O ACT B 102s coo 32.46 99.13 19.34 30.94 100.38 20.07 29.38 -36.88 23.98 30.56 -38.20 22.76 coo 32.04 94.22 18.23 30.57 94.75 16.88 25.24 -36.15 22.76 23.21 -36.44 22.19 coo 21.10 94.74 18.36 23.09 96.71 18.59 23.57 -42.42 13.63 21.81 -43.83 12.00 ULMN 3 1ctn_c00 CHITINASE A (E.C.3.2.1.14) (PH 5.5, user 2 3 # 2 313 ASP A 65 ASP~? 10.10 C1 EDO A 104 315 GLU A 36 GLU.? 4.60 C2 EDO A 104 390 TYR B 70 TYR~? -4.61 O ACT B 102s coo 32.46 99.13 19.34 30.94 100.38 20.07 26.58 -32.44 17.88 27.18 -32.00 15.88 coo 32.04 94.22 18.23 30.57 94.75 16.88 25.24 -36.15 22.76 23.21 -36.44 22.19 coo 21.10 94.74 18.36 23.09 96.71 18.59 23.57 -42.42 13.63 21.81 -43.83 12.00 ULMN 3 1ctn_c00 CHITINASE A (E.C.3.2.1.14) (PH 5.5, user 3 3 # 3 313 ASP A 65 ASP~? 10.10 C1 EDO A 104 315 GLU A 64 GLU~? 12.93 C1 EDO A 102 390 TYR A 70 TYR~? 4.47 O2 EDO A 103s coo 32.46 99.13 19.34 30.94 100.38 20.07 26.58 -32.44 17.88 27.18 -32.00 15.88 coo 32.04 94.22 18.23 30.57 94.75 16.88 32.22 -28.58 19.32 33.17 -27.36 17.86 coo 21.10 94.74 18.36 23.09 96.71 18.59 23.80 -29.17 27.91 24.12 -28.60 30.60 ULMN 3 1ctn_c00 CHITINASE A (E.C.3.2.1.14) (PH 5.5, user 4 3 # 4 313 ASP A 65 ASP~? 10.10 C1 EDO A 104 315 GLU A 64 GLU~? 12.93 C1 EDO A 102 390 TYR B -3 TYR.? 10.66 O1 EDO B 105 coo 32.46 99.13 19.34 30.94 100.38 20.07 26.58 -32.44 17.88 27.18 -32.00 15.88 coo 32.04 94.22 18.23 30.57 94.75 16.88 32.22 -28.58 19.32 33.17 -27.36 17.86 coo 21.10 94.74 18.36 23.09 96.71 18.59 29.92 -26.53 7.69 32.12 -25.42 8.96 ULMN 3 1ctn_c00 CHITINASE A (E.C.3.2.1.14) (PH 5.5, user 5 3 # 5 313 ASP B 65 ASP~? 10.18 C1 EDO A 104 315 GLU B 64 GLU~? 15.64 C1 EDO A 104 390 TYR B 70 TYR~? -4.61 O ACT B 102s coo 32.46 99.13 19.34 30.94 100.38 20.07 33.69 -38.88 16.48 35.60 -39.38 17.27 coo 32.04 94.22 18.23 30.57 94.75 16.88 35.47 -42.81 11.09 36.89 -44.38 11.18 coo 21.10 94.74 18.36 23.09 96.71 18.59 23.57 -42.42 13.63 21.81 -43.83 12.00 1ctn_c00 source 1ctn CHITINASE A (E.C.3.2.1.14) (PH 5.5, 4 DEGREES : 5 hits 1ctn_c00 naa= 3 ULMN 3 1cwy_c00 AMYLOMALTASE user 1 3 # 1 A 293 ASP A 62 ASP^? -3.71 O1 EDO A 104s A 340 GLU A 36 GLU.? 4.60 C2 EDO A 104 A 395 ASP A 60 ASP^? 9.96 C2 EDO A 103 coo -48.00 -26.48 6.86 -46.51 -25.94 5.49 29.38 -36.88 23.98 30.56 -38.20 22.76 coo -43.58 -29.03 7.13 -42.45 -27.34 7.75 25.24 -36.15 22.76 23.21 -36.44 22.19 coo -42.28 -26.47 -1.32 -44.06 -25.60 -0.58 31.34 -34.21 31.28 32.49 -33.56 32.90 ULMN 3 1cwy_c00 AMYLOMALTASE user 2 3 # 2 A 293 ASP A 62 ASP^? -3.71 O1 EDO A 104s A 340 GLU A 36 GLU.? 4.60 C2 EDO A 104 A 395 ASP B 65 ASP~? 10.18 C1 EDO A 104 coo -48.00 -26.48 6.86 -46.51 -25.94 5.49 29.38 -36.88 23.98 30.56 -38.20 22.76 coo -43.58 -29.03 7.13 -42.45 -27.34 7.75 25.24 -36.15 22.76 23.21 -36.44 22.19 coo -42.28 -26.47 -1.32 -44.06 -25.60 -0.58 33.69 -38.88 16.48 35.60 -39.38 17.27 ULMN 3 1cwy_c00 AMYLOMALTASE user 3 3 # 3 A 293 ASP A 62 ASP^? -3.71 O1 EDO A 104s A 340 GLU A 36 GLU.? 4.60 C2 EDO A 104 A 395 ASP B 72 ASP~? -3.91 O2 EDO A 104s coo -48.00 -26.48 6.86 -46.51 -25.94 5.49 29.38 -36.88 23.98 30.56 -38.20 22.76 coo -43.58 -29.03 7.13 -42.45 -27.34 7.75 25.24 -36.15 22.76 23.21 -36.44 22.19 coo -42.28 -26.47 -1.32 -44.06 -25.60 -0.58 26.38 -44.91 20.83 26.53 -45.26 22.94 ULMN 3 1cwy_c00 AMYLOMALTASE user 4 3 # 4 A 293 ASP A 65 ASP~? 10.10 C1 EDO A 104 A 340 GLU A 36 GLU.? 4.60 C2 EDO A 104 A 395 ASP B 65 ASP~? 10.18 C1 EDO A 104 coo -48.00 -26.48 6.86 -46.51 -25.94 5.49 26.58 -32.44 17.88 27.18 -32.00 15.88 coo -43.58 -29.03 7.13 -42.45 -27.34 7.75 25.24 -36.15 22.76 23.21 -36.44 22.19 coo -42.28 -26.47 -1.32 -44.06 -25.60 -0.58 33.69 -38.88 16.48 35.60 -39.38 17.27 ULMN 3 1cwy_c00 AMYLOMALTASE user 5 3 # 5 A 293 ASP A 65 ASP~? 10.10 C1 EDO A 104 A 340 GLU A 64 GLU~? 12.93 C1 EDO A 102 A 395 ASP A 62 ASP^? -3.71 O1 EDO A 104s coo -48.00 -26.48 6.86 -46.51 -25.94 5.49 26.58 -32.44 17.88 27.18 -32.00 15.88 coo -43.58 -29.03 7.13 -42.45 -27.34 7.75 32.22 -28.58 19.32 33.17 -27.36 17.86 coo -42.28 -26.47 -1.32 -44.06 -25.60 -0.58 29.38 -36.88 23.98 30.56 -38.20 22.76 ULMN 3 1cwy_c00 AMYLOMALTASE user 6 3 # 6 A 293 ASP A 65 ASP~? 10.10 C1 EDO A 104 A 340 GLU A 64 GLU~? 12.93 C1 EDO A 102 A 395 ASP B 65 ASP~? 10.18 C1 EDO A 104 coo -48.00 -26.48 6.86 -46.51 -25.94 5.49 26.58 -32.44 17.88 27.18 -32.00 15.88 coo -43.58 -29.03 7.13 -42.45 -27.34 7.75 32.22 -28.58 19.32 33.17 -27.36 17.86 coo -42.28 -26.47 -1.32 -44.06 -25.60 -0.58 33.69 -38.88 16.48 35.60 -39.38 17.27 ULMN 3 1cwy_c00 AMYLOMALTASE user 7 3 # 7 A 293 ASP A 65 ASP~? 10.10 C1 EDO A 104 A 340 GLU B 36 GLU.? 4.68 C1 EDO A 104 A 395 ASP A 62 ASP^? -3.71 O1 EDO A 104s coo -48.00 -26.48 6.86 -46.51 -25.94 5.49 26.58 -32.44 17.88 27.18 -32.00 15.88 coo -43.58 -29.03 7.13 -42.45 -27.34 7.75 26.07 -36.88 17.25 24.74 -37.15 18.88 coo -42.28 -26.47 -1.32 -44.06 -25.60 -0.58 29.38 -36.88 23.98 30.56 -38.20 22.76 ULMN 3 1cwy_c00 AMYLOMALTASE user 8 3 # 8 A 293 ASP A 65 ASP~? 10.10 C1 EDO A 104 A 340 GLU B 36 GLU.? 4.68 C1 EDO A 104 A 395 ASP B 65 ASP~? 10.18 C1 EDO A 104 coo -48.00 -26.48 6.86 -46.51 -25.94 5.49 26.58 -32.44 17.88 27.18 -32.00 15.88 coo -43.58 -29.03 7.13 -42.45 -27.34 7.75 26.07 -36.88 17.25 24.74 -37.15 18.88 coo -42.28 -26.47 -1.32 -44.06 -25.60 -0.58 33.69 -38.88 16.48 35.60 -39.38 17.27 1cwy_c00 source 1cwy AMYLOMALTASE : 8 hits 1cwy_c00 naa= 3 ULMN 3 1d6o_c00 FK506-BINDING PROTEIN user 1 3 # 1 A 37 ASP A 60 ASP^? 9.96 C2 EDO A 103 A 56 ILE A 34 ILE.? 5.32 C2 EDO A 105 A 82 TYR A 70 TYR~? 4.47 O2 EDO A 103s coo 57.53 -0.59 -5.76 57.73 0.50 -3.97 31.34 -34.21 31.28 32.49 -33.56 32.90 coo 60.23 -10.38 -0.25 59.76 -9.69 -1.44 20.66 -34.87 25.74 20.92 -33.49 25.29 coo 54.60 -10.25 -2.46 55.96 -7.94 -1.62 23.80 -29.17 27.91 24.12 -28.60 30.60 ULMN 3 1d6o_c00 FK506-BINDING PROTEIN user 2 3 # 2 A 37 ASP A 65 ASP~? 10.10 C1 EDO A 104 A 56 ILE A 34 ILE.? 5.32 C2 EDO A 105 A 82 TYR A 70 TYR~? 4.47 O2 EDO A 103s coo 57.53 -0.59 -5.76 57.73 0.50 -3.97 26.58 -32.44 17.88 27.18 -32.00 15.88 coo 60.23 -10.38 -0.25 59.76 -9.69 -1.44 20.66 -34.87 25.74 20.92 -33.49 25.29 coo 54.60 -10.25 -2.46 55.96 -7.94 -1.62 23.80 -29.17 27.91 24.12 -28.60 30.60 ULMN 3 1d6o_c00 FK506-BINDING PROTEIN user 3 3 # 3 A 37 ASP B 60 ASP^? 5.67 C1 EDO B 105 A 56 ILE B 34 ILE~? 7.74 O ACT B 102 A 82 TYR B 70 TYR~? -4.61 O ACT B 102s coo 57.53 -0.59 -5.76 57.73 0.50 -3.97 24.76 -37.09 5.99 24.21 -37.69 4.07 coo 60.23 -10.38 -0.25 59.76 -9.69 -1.44 19.99 -38.38 16.55 20.40 -39.80 16.43 coo 54.60 -10.25 -2.46 55.96 -7.94 -1.62 23.57 -42.42 13.63 21.81 -43.83 12.00 ULMN 3 1d6o_c00 FK506-BINDING PROTEIN user 4 3 # 4 A 37 ASP B 62 ASP^? 10.84 C1 EDO B 105 A 56 ILE B 34 ILE~? 7.74 O ACT B 102 A 82 TYR B 70 TYR~? -4.61 O ACT B 102s coo 57.53 -0.59 -5.76 57.73 0.50 -3.97 30.23 -34.29 11.39 31.86 -33.00 11.08 coo 60.23 -10.38 -0.25 59.76 -9.69 -1.44 19.99 -38.38 16.55 20.40 -39.80 16.43 coo 54.60 -10.25 -2.46 55.96 -7.94 -1.62 23.57 -42.42 13.63 21.81 -43.83 12.00 1d6o_c00 source 1d6o FK506-BINDING PROTEIN : 4 hits 1d6o_c00 naa= 3 ULMN 3 1d6o_c01 FK506-BINDING PROTEIN user 1 3 # 1 B 37 ASP A 60 ASP^? 9.96 C2 EDO A 103 B 56 ILE A 34 ILE.? 5.32 C2 EDO A 105 B 82 TYR A 70 TYR~? 4.47 O2 EDO A 103s coo 60.36 -17.02 -33.28 60.59 -15.91 -31.49 31.34 -34.21 31.28 32.49 -33.56 32.90 coo 63.12 -26.85 -28.11 62.65 -26.16 -29.29 20.66 -34.87 25.74 20.92 -33.49 25.29 coo 57.53 -26.71 -30.24 58.93 -24.39 -29.50 23.80 -29.17 27.91 24.12 -28.60 30.60 ULMN 3 1d6o_c01 FK506-BINDING PROTEIN user 2 3 # 2 B 37 ASP A 65 ASP~? 10.10 C1 EDO A 104 B 56 ILE A 34 ILE.? 5.32 C2 EDO A 105 B 82 TYR A 70 TYR~? 4.47 O2 EDO A 103s coo 60.36 -17.02 -33.28 60.59 -15.91 -31.49 26.58 -32.44 17.88 27.18 -32.00 15.88 coo 63.12 -26.85 -28.11 62.65 -26.16 -29.29 20.66 -34.87 25.74 20.92 -33.49 25.29 coo 57.53 -26.71 -30.24 58.93 -24.39 -29.50 23.80 -29.17 27.91 24.12 -28.60 30.60 ULMN 3 1d6o_c01 FK506-BINDING PROTEIN user 3 3 # 3 B 37 ASP B 60 ASP^? 5.67 C1 EDO B 105 B 56 ILE B 34 ILE~? 7.74 O ACT B 102 B 82 TYR B 70 TYR~? -4.61 O ACT B 102s coo 60.36 -17.02 -33.28 60.59 -15.91 -31.49 24.76 -37.09 5.99 24.21 -37.69 4.07 coo 63.12 -26.85 -28.11 62.65 -26.16 -29.29 19.99 -38.38 16.55 20.40 -39.80 16.43 coo 57.53 -26.71 -30.24 58.93 -24.39 -29.50 23.57 -42.42 13.63 21.81 -43.83 12.00 ULMN 3 1d6o_c01 FK506-BINDING PROTEIN user 4 3 # 4 B 37 ASP B 62 ASP^? 10.84 C1 EDO B 105 B 56 ILE B 34 ILE~? 7.74 O ACT B 102 B 82 TYR B 70 TYR~? -4.61 O ACT B 102s coo 60.36 -17.02 -33.28 60.59 -15.91 -31.49 30.23 -34.29 11.39 31.86 -33.00 11.08 coo 63.12 -26.85 -28.11 62.65 -26.16 -29.29 19.99 -38.38 16.55 20.40 -39.80 16.43 coo 57.53 -26.71 -30.24 58.93 -24.39 -29.50 23.57 -42.42 13.63 21.81 -43.83 12.00 1d6o_c01 source 1d6o FK506-BINDING PROTEIN : 4 hits 1d6o_c01 naa= 3 ULMN 3 1d7r_c02 2,2-DIALKYLGLYCINE DECARBOXYLASE (PYuser 1 3 # 1 A 173 TYR B -3 TYR.? 10.66 O1 EDO B 105 A 243 ASP B 72 ASP~? -3.91 O2 EDO A 104s A 272 LYS A 38 LYS^? -2.86 O1 EDO A 104s coo 2.03 68.31 21.46 0.66 68.36 23.90 29.92 -26.53 7.69 32.12 -25.42 8.96 coo 16.93 55.67 9.65 17.16 54.23 11.19 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 14.13 45.79 13.40 14.25 49.41 18.30 27.72 -37.88 30.49 27.16 -40.68 26.03 1d7r_c02 source 1d7r 2,2-DIALKYLGLYCINE DECARBOXYLASE (PYRUVATE) : 1 hits 1d7r_c02 naa= 3 ULMN 3 1ddj_c12 PLASMINOGEN user 1 3 # 1 A 603 HIS A 76 HIS~? 3.91 O2 EDO A 102s A 646 ASP A 75 ASP~? -3.37 CL CL A 101s A 739 GLY A 66 GLY~? 7.08 O1 EDO A 104 coo 17.92 60.45 -3.51 16.63 61.88 -2.68 20.68 -25.44 29.29 22.44 -24.37 29.64 coo 18.60 56.26 -8.31 18.53 57.26 -6.47 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 11.37 50.89 2.29 11.05 51.63 2.25 26.20 -32.54 22.39 26.37 -31.76 22.09 ULMN 3 1ddj_c12 PLASMINOGEN user 2 3 # 2 A 603 HIS B 73 HIS~? 5.11 C2 EDO A 104 A 646 ASP B 72 ASP~? -3.91 O2 EDO A 104s A 739 GLY A 63 GLY~? 7.63 O1 EDO A 104 coo 17.92 60.45 -3.51 16.63 61.88 -2.68 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 18.60 56.26 -8.31 18.53 57.26 -6.47 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 11.37 50.89 2.29 11.05 51.63 2.25 31.00 -33.26 21.28 30.66 -32.93 21.92 ULMN 3 1ddj_c12 PLASMINOGEN user 3 3 # 3 A 603 HIS B 76 HIS~? -3.94 OXT ACT B 102s A 646 ASP B 75 ASP~? 7.34 C2 EDO A 105 A 739 GLY B 66 GLY~? 8.19 C1 EDO A 104 coo 17.92 60.45 -3.51 16.63 61.88 -2.68 20.42 -45.46 15.69 21.14 -46.68 14.13 coo 18.60 56.26 -8.31 18.53 57.26 -6.47 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 11.37 50.89 2.29 11.05 51.63 2.25 29.58 -38.78 14.56 29.91 -39.54 14.52 1ddj_c12 source 1ddj PLASMINOGEN : 3 hits 1ddj_c12 naa= 3 ULMN 3 1ddj_c13 PLASMINOGEN user 1 3 # 1 B 603 HIS A 76 HIS~? 3.91 O2 EDO A 102s B 646 ASP A 75 ASP~? -3.37 CL CL A 101s B 739 GLY A 66 GLY~? 7.08 O1 EDO A 104 coo -28.76 37.11 -20.75 -29.48 38.32 -19.19 20.68 -25.44 29.29 22.44 -24.37 29.64 coo -23.42 34.83 -23.78 -25.09 36.03 -23.31 16.12 -29.42 31.11 14.94 -31.11 31.50 coo -24.60 49.24 -23.60 -24.80 48.99 -22.86 26.20 -32.54 22.39 26.37 -31.76 22.09 ULMN 3 1ddj_c13 PLASMINOGEN user 2 3 # 2 B 603 HIS B 73 HIS~? 5.11 C2 EDO A 104 B 646 ASP B 72 ASP~? -3.91 O2 EDO A 104s B 739 GLY A 63 GLY~? 7.63 O1 EDO A 104 coo -28.76 37.11 -20.75 -29.48 38.32 -19.19 21.13 -40.83 20.13 19.87 -39.36 20.93 coo -23.42 34.83 -23.78 -25.09 36.03 -23.31 26.38 -44.91 20.83 26.53 -45.26 22.94 coo -24.60 49.24 -23.60 -24.80 48.99 -22.86 31.00 -33.26 21.28 30.66 -32.93 21.92 ULMN 3 1ddj_c13 PLASMINOGEN user 3 3 # 3 B 603 HIS B 76 HIS~? -3.94 OXT ACT B 102s B 646 ASP B 75 ASP~? 7.34 C2 EDO A 105 B 739 GLY B 66 GLY~? 8.19 C1 EDO A 104 coo -28.76 37.11 -20.75 -29.48 38.32 -19.19 20.42 -45.46 15.69 21.14 -46.68 14.13 coo -23.42 34.83 -23.78 -25.09 36.03 -23.31 16.30 -41.75 19.83 15.36 -40.72 21.44 coo -24.60 49.24 -23.60 -24.80 48.99 -22.86 29.58 -38.78 14.56 29.91 -39.54 14.52 1ddj_c13 source 1ddj PLASMINOGEN : 3 hits 1ddj_c13 naa= 3 ULMN 3 1ddj_c14 PLASMINOGEN user 1 3 # 1 C 603 HIS A 73 HIS~? -4.02 O2 EDO A 105s C 646 ASP A 72 ASP~? 9.41 O1 EDO A 102 C 739 GLY A 63 GLY~? 7.63 O1 EDO A 104 coo 15.33 59.81 59.60 13.98 60.99 60.69 17.06 -30.49 26.75 15.82 -32.02 27.49 coo 16.06 55.72 54.73 15.97 56.49 56.70 19.04 -26.10 21.93 20.11 -24.78 20.72 coo 9.38 49.29 65.28 9.01 50.03 65.31 31.00 -33.26 21.28 30.66 -32.93 21.92 ULMN 3 1ddj_c14 PLASMINOGEN user 2 3 # 2 C 603 HIS A 76 HIS~? 3.91 O2 EDO A 102s C 646 ASP A 72 ASP~? 9.41 O1 EDO A 102 C 739 GLY A 63 GLY~? 7.63 O1 EDO A 104 coo 15.33 59.81 59.60 13.98 60.99 60.69 20.68 -25.44 29.29 22.44 -24.37 29.64 coo 16.06 55.72 54.73 15.97 56.49 56.70 19.04 -26.10 21.93 20.11 -24.78 20.72 coo 9.38 49.29 65.28 9.01 50.03 65.31 31.00 -33.26 21.28 30.66 -32.93 21.92 ULMN 3 1ddj_c14 PLASMINOGEN user 3 3 # 3 C 603 HIS B 73 HIS~? 5.11 C2 EDO A 104 C 646 ASP B 72 ASP~? -3.91 O2 EDO A 104s C 739 GLY A 63 GLY~? 7.63 O1 EDO A 104 coo 15.33 59.81 59.60 13.98 60.99 60.69 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 16.06 55.72 54.73 15.97 56.49 56.70 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 9.38 49.29 65.28 9.01 50.03 65.31 31.00 -33.26 21.28 30.66 -32.93 21.92 1ddj_c14 source 1ddj PLASMINOGEN : 3 hits 1ddj_c14 naa= 3 ULMN 3 1ddj_c15 PLASMINOGEN user 1 3 # 1 D 603 HIS A 73 HIS~? -4.02 O2 EDO A 105s D 646 ASP A 72 ASP~? 9.41 O1 EDO A 102 D 739 GLY A 63 GLY~? 7.63 O1 EDO A 104 coo -30.51 33.83 43.05 -30.50 33.12 45.03 17.06 -30.49 26.75 15.82 -32.02 27.49 coo -25.73 33.05 39.28 -27.50 34.05 39.88 19.04 -26.10 21.93 20.11 -24.78 20.72 coo -27.66 47.32 40.66 -27.81 47.01 41.41 31.00 -33.26 21.28 30.66 -32.93 21.92 ULMN 3 1ddj_c15 PLASMINOGEN user 2 3 # 2 D 603 HIS A 76 HIS~? 3.91 O2 EDO A 102s D 646 ASP A 72 ASP~? 9.41 O1 EDO A 102 D 739 GLY A 63 GLY~? 7.63 O1 EDO A 104 coo -30.51 33.83 43.05 -30.50 33.12 45.03 20.68 -25.44 29.29 22.44 -24.37 29.64 coo -25.73 33.05 39.28 -27.50 34.05 39.88 19.04 -26.10 21.93 20.11 -24.78 20.72 coo -27.66 47.32 40.66 -27.81 47.01 41.41 31.00 -33.26 21.28 30.66 -32.93 21.92 ULMN 3 1ddj_c15 PLASMINOGEN user 3 3 # 3 D 603 HIS B 73 HIS~? 5.11 C2 EDO A 104 D 646 ASP B 72 ASP~? -3.91 O2 EDO A 104s D 739 GLY A 2 GLY^? 9.09 O1 EDO A 104 coo -30.51 33.83 43.05 -30.50 33.12 45.03 21.13 -40.83 20.13 19.87 -39.36 20.93 coo -25.73 33.05 39.28 -27.50 34.05 39.88 26.38 -44.91 20.83 26.53 -45.26 22.94 coo -27.66 47.32 40.66 -27.81 47.01 41.41 34.55 -34.73 25.68 34.98 -34.20 25.24 ULMN 3 1ddj_c15 PLASMINOGEN user 4 3 # 4 D 603 HIS B 73 HIS~? 5.11 C2 EDO A 104 D 646 ASP B 72 ASP~? -3.91 O2 EDO A 104s D 739 GLY A 63 GLY~? 7.63 O1 EDO A 104 coo -30.51 33.83 43.05 -30.50 33.12 45.03 21.13 -40.83 20.13 19.87 -39.36 20.93 coo -25.73 33.05 39.28 -27.50 34.05 39.88 26.38 -44.91 20.83 26.53 -45.26 22.94 coo -27.66 47.32 40.66 -27.81 47.01 41.41 31.00 -33.26 21.28 30.66 -32.93 21.92 ULMN 3 1ddj_c15 PLASMINOGEN user 5 3 # 5 D 603 HIS B 73 HIS~? 5.11 C2 EDO A 104 D 646 ASP B 72 ASP~? -3.91 O2 EDO A 104s D 739 GLY B 63 GLY~? 12.65 C1 EDO B 105 coo -30.51 33.83 43.05 -30.50 33.12 45.03 21.13 -40.83 20.13 19.87 -39.36 20.93 coo -25.73 33.05 39.28 -27.50 34.05 39.88 26.38 -44.91 20.83 26.53 -45.26 22.94 coo -27.66 47.32 40.66 -27.81 47.01 41.41 33.32 -38.00 11.08 32.56 -38.25 11.10 ULMN 3 1ddj_c15 PLASMINOGEN user 6 3 # 6 D 603 HIS B 76 HIS~? -3.94 OXT ACT B 102s D 646 ASP B 72 ASP~? -3.91 O2 EDO A 104s D 739 GLY B 63 GLY~? 12.65 C1 EDO B 105 coo -30.51 33.83 43.05 -30.50 33.12 45.03 20.42 -45.46 15.69 21.14 -46.68 14.13 coo -25.73 33.05 39.28 -27.50 34.05 39.88 26.38 -44.91 20.83 26.53 -45.26 22.94 coo -27.66 47.32 40.66 -27.81 47.01 41.41 33.32 -38.00 11.08 32.56 -38.25 11.10 ULMN 3 1ddj_c15 PLASMINOGEN user 7 3 # 7 D 603 HIS B 76 HIS~? -3.94 OXT ACT B 102s D 646 ASP B 75 ASP~? 7.34 C2 EDO A 105 D 739 GLY A 66 GLY~? 7.08 O1 EDO A 104 coo -30.51 33.83 43.05 -30.50 33.12 45.03 20.42 -45.46 15.69 21.14 -46.68 14.13 coo -25.73 33.05 39.28 -27.50 34.05 39.88 16.30 -41.75 19.83 15.36 -40.72 21.44 coo -27.66 47.32 40.66 -27.81 47.01 41.41 26.20 -32.54 22.39 26.37 -31.76 22.09 1ddj_c15 source 1ddj PLASMINOGEN : 7 hits 1ddj_c15 naa= 3 ULMN 3 1dfo_c12 SERINE HYDROXYMETHYLTRANSFERASE user 1 3 # 1 A 123 HIS B 5 HIS^? 5.90 OXT ACT B 102 A 200 ASP A 65 ASP~? 10.10 C1 EDO A 104 A 229 LYS A 38 LYS^? -2.86 O1 EDO A 104s coo 1.13 77.49 40.64 0.62 75.57 39.98 24.56 -45.54 8.01 23.59 -47.34 8.47 coo 0.84 91.24 49.01 2.91 91.61 49.23 26.58 -32.44 17.88 27.18 -32.00 15.88 coo 10.53 97.56 43.71 9.33 93.71 47.17 27.72 -37.88 30.49 27.16 -40.68 26.03 1dfo_c12 source 1dfo SERINE HYDROXYMETHYLTRANSFERASE : 1 hits 1dfo_c12 naa= 3 ULMN 3 1dfo_c13 SERINE HYDROXYMETHYLTRANSFERASE user 1 3 # 1 B 123 HIS B 5 HIS^? 5.90 OXT ACT B 102 B 200 ASP A 65 ASP~? 10.10 C1 EDO A 104 B 229 LYS A 38 LYS^? -2.86 O1 EDO A 104s coo 9.24 94.26 88.22 8.02 94.07 89.92 24.56 -45.54 8.01 23.59 -47.34 8.47 coo 17.54 90.31 75.01 17.17 92.01 73.80 26.58 -32.44 17.88 27.18 -32.00 15.88 coo 22.32 101.61 71.64 17.89 98.63 71.55 27.72 -37.88 30.49 27.16 -40.68 26.03 1dfo_c13 source 1dfo SERINE HYDROXYMETHYLTRANSFERASE : 1 hits 1dfo_c13 naa= 3 ULMN 3 1dfo_c14 SERINE HYDROXYMETHYLTRANSFERASE user 1 3 # 1 C 123 HIS B 5 HIS^? 5.90 OXT ACT B 102 C 200 ASP A 65 ASP~? 10.10 C1 EDO A 104 C 229 LYS A 38 LYS^? -2.86 O1 EDO A 104s coo 26.77 65.84 83.49 27.06 67.76 84.27 24.56 -45.54 8.01 23.59 -47.34 8.47 coo 19.52 52.01 79.59 20.28 51.65 77.65 26.58 -32.44 17.88 27.18 -32.00 15.88 coo 28.90 45.91 73.55 25.22 49.72 72.97 27.72 -37.88 30.49 27.16 -40.68 26.03 1dfo_c14 source 1dfo SERINE HYDROXYMETHYLTRANSFERASE : 1 hits 1dfo_c14 naa= 3 ULMN 3 1dfo_c15 SERINE HYDROXYMETHYLTRANSFERASE user 1 3 # 1 D 123 HIS B 5 HIS^? 5.90 OXT ACT B 102 D 200 ASP A 65 ASP~? 10.10 C1 EDO A 104 D 229 LYS A 38 LYS^? -2.86 O1 EDO A 104s coo -10.90 48.74 53.41 -12.98 48.90 53.67 24.56 -45.54 8.01 23.59 -47.34 8.47 coo 4.60 52.95 52.50 5.57 51.29 53.40 26.58 -32.44 17.88 27.18 -32.00 15.88 coo 10.05 41.79 49.80 7.94 44.71 53.76 27.72 -37.88 30.49 27.16 -40.68 26.03 1dfo_c15 source 1dfo SERINE HYDROXYMETHYLTRANSFERASE : 1 hits 1dfo_c15 naa= 3 ULMN 3 1do8_c00 MALIC ENZYME user 1 3 # 1 A 112 TYR A 40 TYR^? -3.88 C2 EDO A 103s A 183 LYS A 38 LYS^? -2.86 O1 EDO A 104s A 278 ASP A 62 ASP^? -3.71 O1 EDO A 104s coo 19.43 18.53 42.32 17.66 18.80 40.15 24.80 -33.38 35.92 22.50 -34.77 36.54 coo 21.92 15.80 36.19 17.64 19.44 36.35 27.72 -37.88 30.49 27.16 -40.68 26.03 coo 15.46 19.03 31.40 15.01 18.25 33.31 29.38 -36.88 23.98 30.56 -38.20 22.76 ULMN 3 1do8_c00 MALIC ENZYME user 2 3 # 2 A 112 TYR B 40 TYR^? 4.63 O ACT B 102s A 183 LYS B 29 LYS~? 12.18 O1 EDO B 104 A 278 ASP B 75 ASP~? 7.34 C2 EDO A 105 coo 19.43 18.53 42.32 17.66 18.80 40.15 17.73 -39.49 9.16 17.04 -42.03 10.10 coo 21.92 15.80 36.19 17.64 19.44 36.35 11.33 -38.31 14.91 6.22 -40.97 17.66 coo 15.46 19.03 31.40 15.01 18.25 33.31 16.30 -41.75 19.83 15.36 -40.72 21.44 1do8_c00 source 1do8 MALIC ENZYME : 2 hits 1do8_c00 naa= 3 ULMN 3 1do8_c01 MALIC ENZYME user 1 3 # 1 B 112 TYR A 40 TYR^? -3.88 C2 EDO A 103s B 183 LYS A 38 LYS^? -2.86 O1 EDO A 104s B 278 ASP A 62 ASP^? -3.71 O1 EDO A 104s coo 58.62 15.99 58.34 60.98 14.60 58.93 24.80 -33.38 35.92 22.50 -34.77 36.54 coo 60.11 10.60 53.63 62.59 10.74 58.67 27.72 -37.88 30.49 27.16 -40.68 26.03 coo 66.50 7.32 58.45 66.26 9.42 58.23 29.38 -36.88 23.98 30.56 -38.20 22.76 ULMN 3 1do8_c01 MALIC ENZYME user 2 3 # 2 B 112 TYR B 40 TYR^? 4.63 O ACT B 102s B 183 LYS B 29 LYS~? 12.18 O1 EDO B 104 B 278 ASP B 75 ASP~? 7.34 C2 EDO A 105 coo 58.62 15.99 58.34 60.98 14.60 58.93 17.73 -39.49 9.16 17.04 -42.03 10.10 coo 60.11 10.60 53.63 62.59 10.74 58.67 11.33 -38.31 14.91 6.22 -40.97 17.66 coo 66.50 7.32 58.45 66.26 9.42 58.23 16.30 -41.75 19.83 15.36 -40.72 21.44 1do8_c01 source 1do8 MALIC ENZYME : 2 hits 1do8_c01 naa= 3 ULMN 3 1do8_c02 MALIC ENZYME user 1 3 # 1 C 112 TYR A 40 TYR^? -3.88 C2 EDO A 103s C 183 LYS A 38 LYS^? -2.86 O1 EDO A 104s C 278 ASP A 62 ASP^? -3.71 O1 EDO A 104s coo 76.02 -16.57 8.89 78.24 -15.17 9.87 24.80 -33.38 35.92 22.50 -34.77 36.54 coo 74.18 -11.17 13.22 79.08 -11.19 10.47 27.72 -37.88 30.49 27.16 -40.68 26.03 coo 82.27 -7.93 13.54 81.93 -10.04 13.72 29.38 -36.88 23.98 30.56 -38.20 22.76 ULMN 3 1do8_c02 MALIC ENZYME user 2 3 # 2 C 112 TYR B 40 TYR^? 4.63 O ACT B 102s C 183 LYS B 29 LYS~? 12.18 O1 EDO B 104 C 278 ASP B 75 ASP~? 7.34 C2 EDO A 105 coo 76.02 -16.57 8.89 78.24 -15.17 9.87 17.73 -39.49 9.16 17.04 -42.03 10.10 coo 74.18 -11.17 13.22 79.08 -11.19 10.47 11.33 -38.31 14.91 6.22 -40.97 17.66 coo 82.27 -7.93 13.54 81.93 -10.04 13.72 16.30 -41.75 19.83 15.36 -40.72 21.44 1do8_c02 source 1do8 MALIC ENZYME : 2 hits 1do8_c02 naa= 3 ULMN 3 1do8_c03 MALIC ENZYME user 1 3 # 1 D 112 TYR A 40 TYR^? -3.88 C2 EDO A 103s D 183 LYS A 38 LYS^? -2.86 O1 EDO A 104s D 278 ASP A 62 ASP^? -3.71 O1 EDO A 104s coo 35.64 -19.32 -3.24 32.92 -19.55 -2.64 24.80 -33.38 35.92 22.50 -34.77 36.54 coo 33.51 -16.63 3.10 30.11 -20.23 0.26 27.72 -37.88 30.49 27.16 -40.68 26.03 coo 25.62 -19.94 2.86 26.44 -19.16 1.09 29.38 -36.88 23.98 30.56 -38.20 22.76 ULMN 3 1do8_c03 MALIC ENZYME user 2 3 # 2 D 112 TYR B 40 TYR^? 4.63 O ACT B 102s D 183 LYS B 29 LYS~? 12.18 O1 EDO B 104 D 278 ASP B 75 ASP~? 7.34 C2 EDO A 105 coo 35.64 -19.32 -3.24 32.92 -19.55 -2.64 17.73 -39.49 9.16 17.04 -42.03 10.10 coo 33.51 -16.63 3.10 30.11 -20.23 0.26 11.33 -38.31 14.91 6.22 -40.97 17.66 coo 25.62 -19.94 2.86 26.44 -19.16 1.09 16.30 -41.75 19.83 15.36 -40.72 21.44 1do8_c03 source 1do8 MALIC ENZYME : 2 hits 1do8_c03 naa= 3 ULMN 3 1ds2_c02 PROTEINASE B (SGPB user 1 3 # 1 E 57 HIS A 73 HIS~? -4.02 O2 EDO A 105s E 102 ASP A 75 ASP~? -3.37 CL CL A 101s E 193 GLY A 66 GLY~? 7.08 O1 EDO A 104 coo 11.39 26.86 25.95 9.85 26.64 27.36 17.06 -30.49 26.75 15.82 -32.02 27.49 coo 10.90 32.83 25.96 10.83 30.68 25.98 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 4.57 20.60 30.29 4.74 21.36 30.66 26.20 -32.54 22.39 26.37 -31.76 22.09 ULMN 3 1ds2_c02 PROTEINASE B (SGPB user 2 3 # 2 E 57 HIS A 76 HIS~? 3.91 O2 EDO A 102s E 102 ASP A 75 ASP~? -3.37 CL CL A 101s E 193 GLY A 66 GLY~? 7.08 O1 EDO A 104 coo 11.39 26.86 25.95 9.85 26.64 27.36 20.68 -25.44 29.29 22.44 -24.37 29.64 coo 10.90 32.83 25.96 10.83 30.68 25.98 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 4.57 20.60 30.29 4.74 21.36 30.66 26.20 -32.54 22.39 26.37 -31.76 22.09 ULMN 3 1ds2_c02 PROTEINASE B (SGPB user 3 3 # 3 E 57 HIS B 73 HIS~? 5.11 C2 EDO A 104 E 102 ASP B 72 ASP~? -3.91 O2 EDO A 104s E 193 GLY A 66 GLY~? 7.08 O1 EDO A 104 coo 11.39 26.86 25.95 9.85 26.64 27.36 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 10.90 32.83 25.96 10.83 30.68 25.98 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 4.57 20.60 30.29 4.74 21.36 30.66 26.20 -32.54 22.39 26.37 -31.76 22.09 ULMN 3 1ds2_c02 PROTEINASE B (SGPB user 4 3 # 4 E 57 HIS B 73 HIS~? 5.11 C2 EDO A 104 E 102 ASP B 75 ASP~? 7.34 C2 EDO A 105 E 193 GLY A 66 GLY~? 7.08 O1 EDO A 104 coo 11.39 26.86 25.95 9.85 26.64 27.36 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 10.90 32.83 25.96 10.83 30.68 25.98 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 4.57 20.60 30.29 4.74 21.36 30.66 26.20 -32.54 22.39 26.37 -31.76 22.09 ULMN 3 1ds2_c02 PROTEINASE B (SGPB user 5 3 # 5 E 57 HIS B 73 HIS~? 5.11 C2 EDO A 104 E 102 ASP B 75 ASP~? 7.34 C2 EDO A 105 E 193 GLY B 66 GLY~? 8.19 C1 EDO A 104 coo 11.39 26.86 25.95 9.85 26.64 27.36 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 10.90 32.83 25.96 10.83 30.68 25.98 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 4.57 20.60 30.29 4.74 21.36 30.66 29.58 -38.78 14.56 29.91 -39.54 14.52 ULMN 3 1ds2_c02 PROTEINASE B (SGPB user 6 3 # 6 E 57 HIS B 76 HIS~? -3.94 OXT ACT B 102s E 102 ASP B 75 ASP~? 7.34 C2 EDO A 105 E 193 GLY B 66 GLY~? 8.19 C1 EDO A 104 coo 11.39 26.86 25.95 9.85 26.64 27.36 20.42 -45.46 15.69 21.14 -46.68 14.13 coo 10.90 32.83 25.96 10.83 30.68 25.98 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 4.57 20.60 30.29 4.74 21.36 30.66 29.58 -38.78 14.56 29.91 -39.54 14.52 1ds2_c02 source 1ds2 PROTEINASE B (SGPB : 6 hits 1ds2_c02 naa= 3 ULMN 3 1dub_c13 2-ENOYL-COA HYDRATASE user 1 3 # 1 B 141 GLY A 66 GLY~? 7.08 O1 EDO A 104 B 144 GLU A 36 GLU.? 4.60 C2 EDO A 104 B 164 GLU B 36 GLU.? 4.68 C1 EDO A 104 coo 88.87 114.43 152.30 88.45 115.15 152.32 26.20 -32.54 22.39 26.37 -31.76 22.09 coo 85.20 111.99 152.05 86.60 110.89 150.91 25.24 -36.15 22.76 23.21 -36.44 22.19 coo 88.14 113.46 145.73 86.79 113.92 147.30 26.07 -36.88 17.25 24.74 -37.15 18.88 1dub_c13 source 1dub 2-ENOYL-COA HYDRATASE : 1 hits 1dub_c13 naa= 3 ULMN 3 1dub_c14 2-ENOYL-COA HYDRATASE user 1 3 # 1 C 141 GLY A 66 GLY~? 7.08 O1 EDO A 104 C 144 GLU A 36 GLU.? 4.60 C2 EDO A 104 C 164 GLU B 36 GLU.? 4.68 C1 EDO A 104 coo 56.28 104.55 135.84 56.09 105.34 136.05 26.20 -32.54 22.39 26.37 -31.76 22.09 coo 58.46 103.90 139.48 57.57 102.00 139.16 25.24 -36.15 22.76 23.21 -36.44 22.19 coo 51.71 102.03 140.09 53.02 103.62 140.54 26.07 -36.88 17.25 24.74 -37.15 18.88 1dub_c14 source 1dub 2-ENOYL-COA HYDRATASE : 1 hits 1dub_c14 naa= 3 ULMN 3 1dub_c15 2-ENOYL-COA HYDRATASE user 1 3 # 1 D 141 GLY A 66 GLY~? 7.08 O1 EDO A 104 D 144 GLU A 36 GLU.? 4.60 C2 EDO A 104 D 164 GLU B 36 GLU.? 4.68 C1 EDO A 104 coo 86.19 80.64 132.77 86.38 79.85 132.93 26.20 -32.54 22.39 26.37 -31.76 22.09 coo 84.75 81.24 136.88 85.62 83.14 136.43 25.24 -36.15 22.76 23.21 -36.44 22.19 coo 91.47 83.05 136.24 90.35 81.38 136.84 26.07 -36.88 17.25 24.74 -37.15 18.88 1dub_c15 source 1dub 2-ENOYL-COA HYDRATASE : 1 hits 1dub_c15 naa= 3 ULMN 3 1dub_c16 2-ENOYL-COA HYDRATASE user 1 3 # 1 E 141 GLY A 66 GLY~? 7.08 O1 EDO A 104 E 144 GLU A 36 GLU.? 4.60 C2 EDO A 104 E 164 GLU B 36 GLU.? 4.68 C1 EDO A 104 coo 90.07 81.07 170.50 90.23 80.26 170.38 26.20 -32.54 22.39 26.37 -31.76 22.09 coo 87.05 81.30 167.53 86.38 82.74 168.94 25.24 -36.15 22.76 23.21 -36.44 22.19 coo 84.40 80.02 173.80 85.08 79.06 172.03 26.07 -36.88 17.25 24.74 -37.15 18.88 1dub_c16 source 1dub 2-ENOYL-COA HYDRATASE : 1 hits 1dub_c16 naa= 3 ULMN 3 1dub_c17 2-ENOYL-COA HYDRATASE user 1 3 # 1 F 141 GLY A 66 GLY~? 7.08 O1 EDO A 104 F 144 GLU A 36 GLU.? 4.60 C2 EDO A 104 F 164 GLU B 36 GLU.? 4.68 C1 EDO A 104 coo 57.12 70.68 155.10 57.52 69.95 155.02 26.20 -32.54 22.39 26.37 -31.76 22.09 coo 60.62 73.13 154.21 59.05 74.26 153.35 25.24 -36.15 22.76 23.21 -36.44 22.19 coo 56.75 71.71 148.46 58.44 71.01 149.54 26.07 -36.88 17.25 24.74 -37.15 18.88 1dub_c17 source 1dub 2-ENOYL-COA HYDRATASE : 1 hits 1dub_c17 naa= 3 ULMN 3 1e3v_c02 STEROID DELTA-ISOMERASE user 1 3 # 1 A 16 TYR A -3 TYR.? 8.43 O1 EDO A 104 A 40 ASP A 60 ASP^? 9.96 C2 EDO A 103 A 103 ASP A 62 ASP^? -3.71 O1 EDO A 104s coo 3.86 -20.80 85.74 4.58 -18.11 85.73 32.49 -44.83 26.57 32.70 -46.37 24.23 coo 8.98 -11.19 82.60 6.87 -11.00 82.49 31.34 -34.21 31.28 32.49 -33.56 32.90 coo 5.15 -17.92 79.35 5.03 -16.26 80.65 29.38 -36.88 23.98 30.56 -38.20 22.76 ULMN 3 1e3v_c02 STEROID DELTA-ISOMERASE user 2 3 # 2 A 16 TYR A -3 TYR.? 8.43 O1 EDO A 104 A 40 ASP B 65 ASP~? 10.18 C1 EDO A 104 A 103 ASP A 62 ASP^? -3.71 O1 EDO A 104s coo 3.86 -20.80 85.74 4.58 -18.11 85.73 32.49 -44.83 26.57 32.70 -46.37 24.23 coo 8.98 -11.19 82.60 6.87 -11.00 82.49 33.69 -38.88 16.48 35.60 -39.38 17.27 coo 5.15 -17.92 79.35 5.03 -16.26 80.65 29.38 -36.88 23.98 30.56 -38.20 22.76 ULMN 3 1e3v_c02 STEROID DELTA-ISOMERASE user 3 3 # 3 A 16 TYR A 40 TYR^? -3.88 C2 EDO A 103s A 40 ASP A 62 ASP^? -3.71 O1 EDO A 104s A 103 ASP A 60 ASP^? 9.96 C2 EDO A 103 coo 3.86 -20.80 85.74 4.58 -18.11 85.73 24.80 -33.38 35.92 22.50 -34.77 36.54 coo 8.98 -11.19 82.60 6.87 -11.00 82.49 29.38 -36.88 23.98 30.56 -38.20 22.76 coo 5.15 -17.92 79.35 5.03 -16.26 80.65 31.34 -34.21 31.28 32.49 -33.56 32.90 ULMN 3 1e3v_c02 STEROID DELTA-ISOMERASE user 4 3 # 4 A 16 TYR B -3 TYR.? 10.66 O1 EDO B 105 A 40 ASP A 65 ASP~? 10.10 C1 EDO A 104 A 103 ASP B 62 ASP^? 10.84 C1 EDO B 105 coo 3.86 -20.80 85.74 4.58 -18.11 85.73 29.92 -26.53 7.69 32.12 -25.42 8.96 coo 8.98 -11.19 82.60 6.87 -11.00 82.49 26.58 -32.44 17.88 27.18 -32.00 15.88 coo 5.15 -17.92 79.35 5.03 -16.26 80.65 30.23 -34.29 11.39 31.86 -33.00 11.08 ULMN 3 1e3v_c02 STEROID DELTA-ISOMERASE user 5 3 # 5 A 16 TYR B -3 TYR.? 10.66 O1 EDO B 105 A 40 ASP B 60 ASP^? 5.67 C1 EDO B 105 A 103 ASP B 62 ASP^? 10.84 C1 EDO B 105 coo 3.86 -20.80 85.74 4.58 -18.11 85.73 29.92 -26.53 7.69 32.12 -25.42 8.96 coo 8.98 -11.19 82.60 6.87 -11.00 82.49 24.76 -37.09 5.99 24.21 -37.69 4.07 coo 5.15 -17.92 79.35 5.03 -16.26 80.65 30.23 -34.29 11.39 31.86 -33.00 11.08 ULMN 3 1e3v_c02 STEROID DELTA-ISOMERASE user 6 3 # 6 A 16 TYR B 70 TYR~? -4.61 O ACT B 102s A 40 ASP A 62 ASP^? -3.71 O1 EDO A 104s A 103 ASP B 72 ASP~? -3.91 O2 EDO A 104s coo 3.86 -20.80 85.74 4.58 -18.11 85.73 23.57 -42.42 13.63 21.81 -43.83 12.00 coo 8.98 -11.19 82.60 6.87 -11.00 82.49 29.38 -36.88 23.98 30.56 -38.20 22.76 coo 5.15 -17.92 79.35 5.03 -16.26 80.65 26.38 -44.91 20.83 26.53 -45.26 22.94 1e3v_c02 source 1e3v STEROID DELTA-ISOMERASE : 6 hits 1e3v_c02 naa= 3 ULMN 3 1e3v_c03 STEROID DELTA-ISOMERASE user 1 3 # 1 B 16 TYR A -3 TYR.? 8.43 O1 EDO A 104 B 40 ASP A 60 ASP^? 9.96 C2 EDO A 103 B 103 ASP A 62 ASP^? -3.71 O1 EDO A 104s coo 4.95 -16.38 58.56 5.78 -19.05 58.68 32.49 -44.83 26.57 32.70 -46.37 24.23 coo 9.81 -26.10 62.11 7.73 -26.45 62.06 31.34 -34.21 31.28 32.49 -33.56 32.90 coo 5.71 -19.27 64.99 5.64 -20.90 63.63 29.38 -36.88 23.98 30.56 -38.20 22.76 ULMN 3 1e3v_c03 STEROID DELTA-ISOMERASE user 2 3 # 2 B 16 TYR A -3 TYR.? 8.43 O1 EDO A 104 B 40 ASP B 65 ASP~? 10.18 C1 EDO A 104 B 103 ASP A 62 ASP^? -3.71 O1 EDO A 104s coo 4.95 -16.38 58.56 5.78 -19.05 58.68 32.49 -44.83 26.57 32.70 -46.37 24.23 coo 9.81 -26.10 62.11 7.73 -26.45 62.06 33.69 -38.88 16.48 35.60 -39.38 17.27 coo 5.71 -19.27 64.99 5.64 -20.90 63.63 29.38 -36.88 23.98 30.56 -38.20 22.76 ULMN 3 1e3v_c03 STEROID DELTA-ISOMERASE user 3 3 # 3 B 16 TYR A -3 TYR.? 8.43 O1 EDO A 104 B 40 ASP B 65 ASP~? 10.18 C1 EDO A 104 B 103 ASP B 72 ASP~? -3.91 O2 EDO A 104s coo 4.95 -16.38 58.56 5.78 -19.05 58.68 32.49 -44.83 26.57 32.70 -46.37 24.23 coo 9.81 -26.10 62.11 7.73 -26.45 62.06 33.69 -38.88 16.48 35.60 -39.38 17.27 coo 5.71 -19.27 64.99 5.64 -20.90 63.63 26.38 -44.91 20.83 26.53 -45.26 22.94 ULMN 3 1e3v_c03 STEROID DELTA-ISOMERASE user 4 3 # 4 B 16 TYR A 40 TYR^? -3.88 C2 EDO A 103s B 40 ASP A 62 ASP^? -3.71 O1 EDO A 104s B 103 ASP A 60 ASP^? 9.96 C2 EDO A 103 coo 4.95 -16.38 58.56 5.78 -19.05 58.68 24.80 -33.38 35.92 22.50 -34.77 36.54 coo 9.81 -26.10 62.11 7.73 -26.45 62.06 29.38 -36.88 23.98 30.56 -38.20 22.76 coo 5.71 -19.27 64.99 5.64 -20.90 63.63 31.34 -34.21 31.28 32.49 -33.56 32.90 ULMN 3 1e3v_c03 STEROID DELTA-ISOMERASE user 5 3 # 5 B 16 TYR B -3 TYR.? 10.66 O1 EDO B 105 B 40 ASP A 65 ASP~? 10.10 C1 EDO A 104 B 103 ASP B 62 ASP^? 10.84 C1 EDO B 105 coo 4.95 -16.38 58.56 5.78 -19.05 58.68 29.92 -26.53 7.69 32.12 -25.42 8.96 coo 9.81 -26.10 62.11 7.73 -26.45 62.06 26.58 -32.44 17.88 27.18 -32.00 15.88 coo 5.71 -19.27 64.99 5.64 -20.90 63.63 30.23 -34.29 11.39 31.86 -33.00 11.08 ULMN 3 1e3v_c03 STEROID DELTA-ISOMERASE user 6 3 # 6 B 16 TYR B -3 TYR.? 10.66 O1 EDO B 105 B 40 ASP B 60 ASP^? 5.67 C1 EDO B 105 B 103 ASP B 62 ASP^? 10.84 C1 EDO B 105 coo 4.95 -16.38 58.56 5.78 -19.05 58.68 29.92 -26.53 7.69 32.12 -25.42 8.96 coo 9.81 -26.10 62.11 7.73 -26.45 62.06 24.76 -37.09 5.99 24.21 -37.69 4.07 coo 5.71 -19.27 64.99 5.64 -20.90 63.63 30.23 -34.29 11.39 31.86 -33.00 11.08 ULMN 3 1e3v_c03 STEROID DELTA-ISOMERASE user 7 3 # 7 B 16 TYR B 70 TYR~? -4.61 O ACT B 102s B 40 ASP A 62 ASP^? -3.71 O1 EDO A 104s B 103 ASP B 72 ASP~? -3.91 O2 EDO A 104s coo 4.95 -16.38 58.56 5.78 -19.05 58.68 23.57 -42.42 13.63 21.81 -43.83 12.00 coo 9.81 -26.10 62.11 7.73 -26.45 62.06 29.38 -36.88 23.98 30.56 -38.20 22.76 coo 5.71 -19.27 64.99 5.64 -20.90 63.63 26.38 -44.91 20.83 26.53 -45.26 22.94 ULMN 3 1e3v_c03 STEROID DELTA-ISOMERASE user 8 3 # 8 B 16 TYR B 70 TYR~? -4.61 O ACT B 102s B 40 ASP B 65 ASP~? 10.18 C1 EDO A 104 B 103 ASP B 72 ASP~? -3.91 O2 EDO A 104s coo 4.95 -16.38 58.56 5.78 -19.05 58.68 23.57 -42.42 13.63 21.81 -43.83 12.00 coo 9.81 -26.10 62.11 7.73 -26.45 62.06 33.69 -38.88 16.48 35.60 -39.38 17.27 coo 5.71 -19.27 64.99 5.64 -20.90 63.63 26.38 -44.91 20.83 26.53 -45.26 22.94 1e3v_c03 source 1e3v STEROID DELTA-ISOMERASE : 8 hits 1e3v_c03 naa= 3 ULMN 3 1e7q_c01 GDP-FUCOSE SYNTHETASE user 1 3 # 1 A 107 ALA A 33 ALA.? 3.70 CL CL A 101s A 136 TYR A 40 TYR^? -3.88 C2 EDO A 103s A 140 LYS A 38 LYS^? -2.86 O1 EDO A 104s coo 55.90 7.49 23.83 56.71 8.23 22.76 19.95 -35.27 30.54 19.58 -36.13 31.70 coo 59.38 10.02 17.51 59.95 9.89 20.21 24.80 -33.38 35.92 22.50 -34.77 36.54 coo 59.52 3.69 18.67 62.31 6.19 22.58 27.72 -37.88 30.49 27.16 -40.68 26.03 ULMN 3 1e7q_c01 GDP-FUCOSE SYNTHETASE user 2 3 # 2 A 107 ALA A 59 ALA^? 4.61 O2 EDO A 103 A 136 TYR A 40 TYR^? -3.88 C2 EDO A 103s A 140 LYS A 38 LYS^? -2.86 O1 EDO A 104s coo 55.90 7.49 23.83 56.71 8.23 22.76 28.61 -30.57 32.81 27.41 -29.88 32.12 coo 59.38 10.02 17.51 59.95 9.89 20.21 24.80 -33.38 35.92 22.50 -34.77 36.54 coo 59.52 3.69 18.67 62.31 6.19 22.58 27.72 -37.88 30.49 27.16 -40.68 26.03 1e7q_c01 source 1e7q GDP-FUCOSE SYNTHETASE : 2 hits 1e7q_c01 naa= 3 ULMN 3 1ecx_c02 AMINOTRANSFERASE user 1 3 # 1 A 99 HIS B 73 HIS~? 5.11 C2 EDO A 104 A 177 ASP B 72 ASP~? -3.91 O2 EDO A 104s A 203 LYS A 38 LYS^? -2.86 O1 EDO A 104s coo 8.74 45.76 47.19 9.33 46.93 45.56 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 11.68 42.31 52.96 12.05 43.92 51.65 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 18.07 52.81 49.62 14.17 49.99 48.07 27.72 -37.88 30.49 27.16 -40.68 26.03 1ecx_c02 source 1ecx AMINOTRANSFERASE : 1 hits 1ecx_c02 naa= 3 ULMN 3 1ecx_c03 AMINOTRANSFERASE user 1 3 # 1 B 99 HIS B 73 HIS~? 5.11 C2 EDO A 104 B 177 ASP B 72 ASP~? -3.91 O2 EDO A 104s B 203 LYS A 38 LYS^? -2.86 O1 EDO A 104s coo 14.87 88.04 21.51 13.64 87.90 19.81 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 15.87 92.46 27.37 14.46 91.76 25.94 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 3.60 91.42 23.52 8.20 89.55 22.63 27.72 -37.88 30.49 27.16 -40.68 26.03 ULMN 3 1ecx_c03 AMINOTRANSFERASE user 2 3 # 2 B 99 HIS B 76 HIS~? -3.94 OXT ACT B 102s B 177 ASP B 75 ASP~? 7.34 C2 EDO A 105 B 203 LYS B 38 LYS.? 11.73 C1 EDO B 105 coo 14.87 88.04 21.51 13.64 87.90 19.81 20.42 -45.46 15.69 21.14 -46.68 14.13 coo 15.87 92.46 27.37 14.46 91.76 25.94 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 3.60 91.42 23.52 8.20 89.55 22.63 23.51 -33.84 9.67 26.45 -31.79 13.35 1ecx_c03 source 1ecx AMINOTRANSFERASE : 2 hits 1ecx_c03 naa= 3 ULMN 3 1ehy_c00 SOLUBLE EPOXIDE HYDROLASE user 1 3 # 1 A 107 ASP B 75 ASP~? 7.34 C2 EDO A 105 A 246 ASP A 62 ASP^? -3.71 O1 EDO A 104s A 275 HIS B 73 HIS~? 5.11 C2 EDO A 104 coo 28.44 37.56 46.79 26.87 37.11 48.10 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 22.84 50.35 52.24 23.24 48.32 52.90 29.38 -36.88 23.98 30.56 -38.20 22.76 coo 26.67 42.94 48.26 27.49 41.07 48.73 21.13 -40.83 20.13 19.87 -39.36 20.93 ULMN 3 1ehy_c00 SOLUBLE EPOXIDE HYDROLASE user 2 3 # 2 A 107 ASP B 75 ASP~? 7.34 C2 EDO A 105 A 246 ASP A 65 ASP~? 10.10 C1 EDO A 104 A 275 HIS B 73 HIS~? 5.11 C2 EDO A 104 coo 28.44 37.56 46.79 26.87 37.11 48.10 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 22.84 50.35 52.24 23.24 48.32 52.90 26.58 -32.44 17.88 27.18 -32.00 15.88 coo 26.67 42.94 48.26 27.49 41.07 48.73 21.13 -40.83 20.13 19.87 -39.36 20.93 1ehy_c00 source 1ehy SOLUBLE EPOXIDE HYDROLASE : 2 hits 1ehy_c00 naa= 3 ULMN 3 1ehy_c01 SOLUBLE EPOXIDE HYDROLASE user 1 3 # 1 B 107 ASP A 72 ASP~? 9.41 O1 EDO A 102 B 246 ASP B 75 ASP~? 7.34 C2 EDO A 105 B 275 HIS A 73 HIS~? -4.02 O2 EDO A 105s coo 34.84 56.77 81.62 34.95 54.74 82.03 19.04 -26.10 21.93 20.11 -24.78 20.72 coo 43.18 49.30 68.39 44.75 49.87 69.78 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 38.73 55.10 77.62 36.80 55.01 78.46 17.06 -30.49 26.75 15.82 -32.02 27.49 ULMN 3 1ehy_c01 SOLUBLE EPOXIDE HYDROLASE user 2 3 # 2 B 107 ASP A 75 ASP~? -3.37 CL CL A 101s B 246 ASP A 65 ASP~? 10.10 C1 EDO A 104 B 275 HIS A 73 HIS~? -4.02 O2 EDO A 105s coo 34.84 56.77 81.62 34.95 54.74 82.03 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 43.18 49.30 68.39 44.75 49.87 69.78 26.58 -32.44 17.88 27.18 -32.00 15.88 coo 38.73 55.10 77.62 36.80 55.01 78.46 17.06 -30.49 26.75 15.82 -32.02 27.49 ULMN 3 1ehy_c01 SOLUBLE EPOXIDE HYDROLASE user 3 3 # 3 B 107 ASP A 75 ASP~? -3.37 CL CL A 101s B 246 ASP B 75 ASP~? 7.34 C2 EDO A 105 B 275 HIS A 73 HIS~? -4.02 O2 EDO A 105s coo 34.84 56.77 81.62 34.95 54.74 82.03 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 43.18 49.30 68.39 44.75 49.87 69.78 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 38.73 55.10 77.62 36.80 55.01 78.46 17.06 -30.49 26.75 15.82 -32.02 27.49 ULMN 3 1ehy_c01 SOLUBLE EPOXIDE HYDROLASE user 4 3 # 4 B 107 ASP B 75 ASP~? 7.34 C2 EDO A 105 B 246 ASP B 60 ASP^? 5.67 C1 EDO B 105 B 275 HIS B 76 HIS~? -3.94 OXT ACT B 102s coo 34.84 56.77 81.62 34.95 54.74 82.03 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 43.18 49.30 68.39 44.75 49.87 69.78 24.76 -37.09 5.99 24.21 -37.69 4.07 coo 38.73 55.10 77.62 36.80 55.01 78.46 20.42 -45.46 15.69 21.14 -46.68 14.13 ULMN 3 1ehy_c01 SOLUBLE EPOXIDE HYDROLASE user 5 3 # 5 B 107 ASP B 75 ASP~? 7.34 C2 EDO A 105 B 246 ASP B 65 ASP~? 10.18 C1 EDO A 104 B 275 HIS B 73 HIS~? 5.11 C2 EDO A 104 coo 34.84 56.77 81.62 34.95 54.74 82.03 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 43.18 49.30 68.39 44.75 49.87 69.78 33.69 -38.88 16.48 35.60 -39.38 17.27 coo 38.73 55.10 77.62 36.80 55.01 78.46 21.13 -40.83 20.13 19.87 -39.36 20.93 1ehy_c01 source 1ehy SOLUBLE EPOXIDE HYDROLASE : 5 hits 1ehy_c01 naa= 3 ULMN 3 1ehy_c02 SOLUBLE EPOXIDE HYDROLASE user 1 3 # 1 C 107 ASP A 72 ASP~? 9.41 O1 EDO A 102 C 246 ASP A 60 ASP^? 9.96 C2 EDO A 103 C 275 HIS A 76 HIS~? 3.91 O2 EDO A 102s coo 1.90 35.26 72.76 3.20 35.74 71.18 19.04 -26.10 21.93 20.11 -24.78 20.72 coo 12.03 20.33 71.56 10.48 19.25 70.56 31.34 -34.21 31.28 32.49 -33.56 32.90 coo 3.92 29.96 71.75 4.22 31.96 72.31 20.68 -25.44 29.29 22.44 -24.37 29.64 ULMN 3 1ehy_c02 SOLUBLE EPOXIDE HYDROLASE user 2 3 # 2 C 107 ASP A 75 ASP~? -3.37 CL CL A 101s C 246 ASP A 62 ASP^? -3.71 O1 EDO A 104s C 275 HIS A 73 HIS~? -4.02 O2 EDO A 105s coo 1.90 35.26 72.76 3.20 35.74 71.18 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 12.03 20.33 71.56 10.48 19.25 70.56 29.38 -36.88 23.98 30.56 -38.20 22.76 coo 3.92 29.96 71.75 4.22 31.96 72.31 17.06 -30.49 26.75 15.82 -32.02 27.49 ULMN 3 1ehy_c02 SOLUBLE EPOXIDE HYDROLASE user 3 3 # 3 C 107 ASP A 75 ASP~? -3.37 CL CL A 101s C 246 ASP A 65 ASP~? 10.10 C1 EDO A 104 C 275 HIS A 73 HIS~? -4.02 O2 EDO A 105s coo 1.90 35.26 72.76 3.20 35.74 71.18 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 12.03 20.33 71.56 10.48 19.25 70.56 26.58 -32.44 17.88 27.18 -32.00 15.88 coo 3.92 29.96 71.75 4.22 31.96 72.31 17.06 -30.49 26.75 15.82 -32.02 27.49 ULMN 3 1ehy_c02 SOLUBLE EPOXIDE HYDROLASE user 4 3 # 4 C 107 ASP A 75 ASP~? -3.37 CL CL A 101s C 246 ASP B 75 ASP~? 7.34 C2 EDO A 105 C 275 HIS A 73 HIS~? -4.02 O2 EDO A 105s coo 1.90 35.26 72.76 3.20 35.74 71.18 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 12.03 20.33 71.56 10.48 19.25 70.56 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 3.92 29.96 71.75 4.22 31.96 72.31 17.06 -30.49 26.75 15.82 -32.02 27.49 ULMN 3 1ehy_c02 SOLUBLE EPOXIDE HYDROLASE user 5 3 # 5 C 107 ASP B 75 ASP~? 7.34 C2 EDO A 105 C 246 ASP B 60 ASP^? 5.67 C1 EDO B 105 C 275 HIS B 76 HIS~? -3.94 OXT ACT B 102s coo 1.90 35.26 72.76 3.20 35.74 71.18 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 12.03 20.33 71.56 10.48 19.25 70.56 24.76 -37.09 5.99 24.21 -37.69 4.07 coo 3.92 29.96 71.75 4.22 31.96 72.31 20.42 -45.46 15.69 21.14 -46.68 14.13 ULMN 3 1ehy_c02 SOLUBLE EPOXIDE HYDROLASE user 6 3 # 6 C 107 ASP B 75 ASP~? 7.34 C2 EDO A 105 C 246 ASP B 62 ASP^? 10.84 C1 EDO B 105 C 275 HIS B 73 HIS~? 5.11 C2 EDO A 104 coo 1.90 35.26 72.76 3.20 35.74 71.18 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 12.03 20.33 71.56 10.48 19.25 70.56 30.23 -34.29 11.39 31.86 -33.00 11.08 coo 3.92 29.96 71.75 4.22 31.96 72.31 21.13 -40.83 20.13 19.87 -39.36 20.93 ULMN 3 1ehy_c02 SOLUBLE EPOXIDE HYDROLASE user 7 3 # 7 C 107 ASP B 75 ASP~? 7.34 C2 EDO A 105 C 246 ASP B 65 ASP~? 10.18 C1 EDO A 104 C 275 HIS B 73 HIS~? 5.11 C2 EDO A 104 coo 1.90 35.26 72.76 3.20 35.74 71.18 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 12.03 20.33 71.56 10.48 19.25 70.56 33.69 -38.88 16.48 35.60 -39.38 17.27 coo 3.92 29.96 71.75 4.22 31.96 72.31 21.13 -40.83 20.13 19.87 -39.36 20.93 1ehy_c02 source 1ehy SOLUBLE EPOXIDE HYDROLASE : 7 hits 1ehy_c02 naa= 3 ULMN 3 1ehy_c03 SOLUBLE EPOXIDE HYDROLASE user 1 3 # 1 D 107 ASP A 72 ASP~? 9.41 O1 EDO A 102 D 246 ASP B 75 ASP~? 7.34 C2 EDO A 105 D 275 HIS A 73 HIS~? -4.02 O2 EDO A 105s coo 37.41 19.89 81.58 37.64 21.98 81.53 19.04 -26.10 21.93 20.11 -24.78 20.72 coo 23.50 26.43 88.52 24.76 26.47 90.29 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 33.16 21.44 85.29 34.07 21.53 83.40 17.06 -30.49 26.75 15.82 -32.02 27.49 ULMN 3 1ehy_c03 SOLUBLE EPOXIDE HYDROLASE user 2 3 # 2 D 107 ASP A 75 ASP~? -3.37 CL CL A 101s D 246 ASP A 65 ASP~? 10.10 C1 EDO A 104 D 275 HIS A 73 HIS~? -4.02 O2 EDO A 105s coo 37.41 19.89 81.58 37.64 21.98 81.53 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 23.50 26.43 88.52 24.76 26.47 90.29 26.58 -32.44 17.88 27.18 -32.00 15.88 coo 33.16 21.44 85.29 34.07 21.53 83.40 17.06 -30.49 26.75 15.82 -32.02 27.49 ULMN 3 1ehy_c03 SOLUBLE EPOXIDE HYDROLASE user 3 3 # 3 D 107 ASP A 75 ASP~? -3.37 CL CL A 101s D 246 ASP B 75 ASP~? 7.34 C2 EDO A 105 D 275 HIS A 73 HIS~? -4.02 O2 EDO A 105s coo 37.41 19.89 81.58 37.64 21.98 81.53 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 23.50 26.43 88.52 24.76 26.47 90.29 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 33.16 21.44 85.29 34.07 21.53 83.40 17.06 -30.49 26.75 15.82 -32.02 27.49 ULMN 3 1ehy_c03 SOLUBLE EPOXIDE HYDROLASE user 4 3 # 4 D 107 ASP B 75 ASP~? 7.34 C2 EDO A 105 D 246 ASP B 65 ASP~? 10.18 C1 EDO A 104 D 275 HIS B 73 HIS~? 5.11 C2 EDO A 104 coo 37.41 19.89 81.58 37.64 21.98 81.53 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 23.50 26.43 88.52 24.76 26.47 90.29 33.69 -38.88 16.48 35.60 -39.38 17.27 coo 33.16 21.44 85.29 34.07 21.53 83.40 21.13 -40.83 20.13 19.87 -39.36 20.93 1ehy_c03 source 1ehy SOLUBLE EPOXIDE HYDROLASE : 4 hits 1ehy_c03 naa= 3 ULMN 3 1elq_c02 L-CYSTEINE/L-CYSTINE C-S LYASE user 1 3 # 1 A 114 HIS A 76 HIS~? 3.91 O2 EDO A 102s A 197 ASP A 75 ASP~? -3.37 CL CL A 101s A 223 LYS A 38 LYS^? -2.86 O1 EDO A 104s coo -61.07 -8.57 -27.49 -61.31 -7.57 -25.66 20.68 -25.44 29.29 22.44 -24.37 29.64 coo -56.76 -14.14 -29.82 -57.30 -12.99 -28.11 16.12 -29.42 31.11 14.94 -31.11 31.50 coo -56.15 -13.54 -16.74 -58.44 -10.91 -21.86 27.72 -37.88 30.49 27.16 -40.68 26.03 ULMN 3 1elq_c02 L-CYSTEINE/L-CYSTINE C-S LYASE user 2 3 # 2 A 114 HIS B 73 HIS~? 5.11 C2 EDO A 104 A 197 ASP B 72 ASP~? -3.91 O2 EDO A 104s A 223 LYS A 38 LYS^? -2.86 O1 EDO A 104s coo -61.07 -8.57 -27.49 -61.31 -7.57 -25.66 21.13 -40.83 20.13 19.87 -39.36 20.93 coo -56.76 -14.14 -29.82 -57.30 -12.99 -28.11 26.38 -44.91 20.83 26.53 -45.26 22.94 coo -56.15 -13.54 -16.74 -58.44 -10.91 -21.86 27.72 -37.88 30.49 27.16 -40.68 26.03 ULMN 3 1elq_c02 L-CYSTEINE/L-CYSTINE C-S LYASE user 3 3 # 3 A 114 HIS B 76 HIS~? -3.94 OXT ACT B 102s A 197 ASP B 75 ASP~? 7.34 C2 EDO A 105 A 223 LYS B 38 LYS.? 11.73 C1 EDO B 105 coo -61.07 -8.57 -27.49 -61.31 -7.57 -25.66 20.42 -45.46 15.69 21.14 -46.68 14.13 coo -56.76 -14.14 -29.82 -57.30 -12.99 -28.11 16.30 -41.75 19.83 15.36 -40.72 21.44 coo -56.15 -13.54 -16.74 -58.44 -10.91 -21.86 23.51 -33.84 9.67 26.45 -31.79 13.35 1elq_c02 source 1elq L-CYSTEINE/L-CYSTINE C-S LYASE : 3 hits 1elq_c02 naa= 3 ULMN 3 1elq_c03 L-CYSTEINE/L-CYSTINE C-S LYASE user 1 3 # 1 B 114 HIS A 76 HIS~? 3.91 O2 EDO A 102s B 197 ASP A 75 ASP~? -3.37 CL CL A 101s B 223 LYS A 38 LYS^? -2.86 O1 EDO A 104s coo -32.28 6.89 -26.40 -32.14 5.42 -24.92 20.68 -25.44 29.29 22.44 -24.37 29.64 coo -36.60 12.85 -27.61 -36.03 11.43 -26.18 16.12 -29.42 31.11 14.94 -31.11 31.50 coo -37.05 10.01 -14.84 -34.42 8.53 -20.24 27.72 -37.88 30.49 27.16 -40.68 26.03 ULMN 3 1elq_c03 L-CYSTEINE/L-CYSTINE C-S LYASE user 2 3 # 2 B 114 HIS B 73 HIS~? 5.11 C2 EDO A 104 B 197 ASP B 72 ASP~? -3.91 O2 EDO A 104s B 223 LYS A 38 LYS^? -2.86 O1 EDO A 104s coo -32.28 6.89 -26.40 -32.14 5.42 -24.92 21.13 -40.83 20.13 19.87 -39.36 20.93 coo -36.60 12.85 -27.61 -36.03 11.43 -26.18 26.38 -44.91 20.83 26.53 -45.26 22.94 coo -37.05 10.01 -14.84 -34.42 8.53 -20.24 27.72 -37.88 30.49 27.16 -40.68 26.03 ULMN 3 1elq_c03 L-CYSTEINE/L-CYSTINE C-S LYASE user 3 3 # 3 B 114 HIS B 76 HIS~? -3.94 OXT ACT B 102s B 197 ASP B 75 ASP~? 7.34 C2 EDO A 105 B 223 LYS B 38 LYS.? 11.73 C1 EDO B 105 coo -32.28 6.89 -26.40 -32.14 5.42 -24.92 20.42 -45.46 15.69 21.14 -46.68 14.13 coo -36.60 12.85 -27.61 -36.03 11.43 -26.18 16.30 -41.75 19.83 15.36 -40.72 21.44 coo -37.05 10.01 -14.84 -34.42 8.53 -20.24 23.51 -33.84 9.67 26.45 -31.79 13.35 1elq_c03 source 1elq L-CYSTEINE/L-CYSTINE C-S LYASE : 3 hits 1elq_c03 naa= 3 ULMN 3 1emd_c01 MALATE DEHYDROGENASE (E.C.1.1.1.37) user 1 3 # 1 150 ASP A 72 ASP~? 9.41 O1 EDO A 102 153 ARG A 77 ARG~? 12.24 O2 EDO A 105 177 HIS A 73 HIS~? -4.02 O2 EDO A 105s coo 6.83 2.75 19.17 7.40 0.75 19.11 19.04 -26.10 21.93 20.11 -24.78 20.72 coo 1.78 0.50 17.43 2.55 -2.31 16.44 15.52 -22.75 25.33 12.48 -23.17 25.81 coo 9.81 -2.34 18.22 7.84 -2.69 17.56 17.06 -30.49 26.75 15.82 -32.02 27.49 ULMN 3 1emd_c01 MALATE DEHYDROGENASE (E.C.1.1.1.37) user 2 3 # 2 150 ASP A 72 ASP~? 9.41 O1 EDO A 102 153 ARG A 77 ARG~? 12.24 O2 EDO A 105 177 HIS A 76 HIS~? 3.91 O2 EDO A 102s coo 6.83 2.75 19.17 7.40 0.75 19.11 19.04 -26.10 21.93 20.11 -24.78 20.72 coo 1.78 0.50 17.43 2.55 -2.31 16.44 15.52 -22.75 25.33 12.48 -23.17 25.81 coo 9.81 -2.34 18.22 7.84 -2.69 17.56 20.68 -25.44 29.29 22.44 -24.37 29.64 ULMN 3 1emd_c01 MALATE DEHYDROGENASE (E.C.1.1.1.37) user 3 3 # 3 150 ASP B 72 ASP~? -3.91 O2 EDO A 104s 153 ARG B 77 ARG~? 7.48 O2 EDO A 104 177 HIS B 73 HIS~? 5.11 C2 EDO A 104 coo 6.83 2.75 19.17 7.40 0.75 19.11 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 1.78 0.50 17.43 2.55 -2.31 16.44 21.83 -48.69 21.52 20.83 -47.48 24.21 coo 9.81 -2.34 18.22 7.84 -2.69 17.56 21.13 -40.83 20.13 19.87 -39.36 20.93 ULMN 3 1emd_c01 MALATE DEHYDROGENASE (E.C.1.1.1.37) user 4 3 # 4 150 ASP B 72 ASP~? -3.91 O2 EDO A 104s 153 ARG B 77 ARG~? 7.48 O2 EDO A 104 177 HIS B 76 HIS~? -3.94 OXT ACT B 102s coo 6.83 2.75 19.17 7.40 0.75 19.11 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 1.78 0.50 17.43 2.55 -2.31 16.44 21.83 -48.69 21.52 20.83 -47.48 24.21 coo 9.81 -2.34 18.22 7.84 -2.69 17.56 20.42 -45.46 15.69 21.14 -46.68 14.13 1emd_c01 source 1emd MALATE DEHYDROGENASE (E.C.1.1.1.37) : 4 hits 1emd_c01 naa= 3 ULMN 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 1 3 # 1 A 229 ALA A 7 ALA^? -3.45 O2 NBZ A 112s A 257 ALA A 56 ALA^? 8.93 O1 EDO A 106 A 328 ASP A 54 ASP.? 2.78 C2 EDO A 108s coo 39.84 24.12 8.44 38.50 24.23 9.11 30.02 -21.91 35.07 28.58 -21.67 34.58 coo 43.22 26.73 5.37 41.81 27.09 5.79 29.51 -23.88 40.54 30.82 -24.64 40.93 coo 38.17 34.10 6.67 37.72 32.06 6.84 27.81 -17.65 45.48 28.28 -15.77 46.28 ULMN 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 2 3 # 2 A 229 ALA A 7 ALA^? -3.45 O2 NBZ A 112s A 257 ALA A 92 ALA^? 5.48 O2 NBZ A 112 A 328 ASP A 89 ASP^? -2.90 O1 EDO A 107s coo 39.84 24.12 8.44 38.50 24.23 9.11 30.02 -21.91 35.07 28.58 -21.67 34.58 coo 43.22 26.73 5.37 41.81 27.09 5.79 32.30 -19.78 32.15 31.04 -19.93 31.30 coo 38.17 34.10 6.67 37.72 32.06 6.84 29.57 -11.85 38.15 30.81 -11.99 36.52 ULMN 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 3 3 # 3 A 229 ALA A 49 ALA.? 7.65 O2 EDO A 109 A 257 ALA A 50 ALA.? 5.15 O2 EDO A 109 A 328 ASP A 45 ASP.? -3.72 C2 EDO A 111s coo 39.84 24.12 8.44 38.50 24.23 9.11 38.56 -18.95 50.55 39.23 -19.49 49.28 coo 43.22 26.73 5.37 41.81 27.09 5.79 37.99 -15.23 50.84 38.91 -14.30 51.64 coo 38.17 34.10 6.67 37.72 32.06 6.84 31.14 -21.11 47.49 33.11 -20.89 48.17 ULMN 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 4 3 # 4 A 229 ALA A 50 ALA.? 5.15 O2 EDO A 109 A 257 ALA A 49 ALA.? 7.65 O2 EDO A 109 A 328 ASP A 45 ASP.? -3.72 C2 EDO A 111s coo 39.84 24.12 8.44 38.50 24.23 9.11 37.99 -15.23 50.84 38.91 -14.30 51.64 coo 43.22 26.73 5.37 41.81 27.09 5.79 38.56 -18.95 50.55 39.23 -19.49 49.28 coo 38.17 34.10 6.67 37.72 32.06 6.84 31.14 -21.11 47.49 33.11 -20.89 48.17 ULMN 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 5 3 # 5 A 229 ALA A 56 ALA^? 8.93 O1 EDO A 106 A 257 ALA A 7 ALA^? -3.45 O2 NBZ A 112s A 328 ASP A 89 ASP^? -2.90 O1 EDO A 107s coo 39.84 24.12 8.44 38.50 24.23 9.11 29.51 -23.88 40.54 30.82 -24.64 40.93 coo 43.22 26.73 5.37 41.81 27.09 5.79 30.02 -21.91 35.07 28.58 -21.67 34.58 coo 38.17 34.10 6.67 37.72 32.06 6.84 29.57 -11.85 38.15 30.81 -11.99 36.52 ULMN 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 6 3 # 6 A 229 ALA A 92 ALA^? 5.48 O2 NBZ A 112 A 257 ALA A 7 ALA^? -3.45 O2 NBZ A 112s A 328 ASP A 89 ASP^? -2.90 O1 EDO A 107s coo 39.84 24.12 8.44 38.50 24.23 9.11 32.30 -19.78 32.15 31.04 -19.93 31.30 coo 43.22 26.73 5.37 41.81 27.09 5.79 30.02 -21.91 35.07 28.58 -21.67 34.58 coo 38.17 34.10 6.67 37.72 32.06 6.84 29.57 -11.85 38.15 30.81 -11.99 36.52 ULMN 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 7 3 # 7 A 229 ALA B 7 ALA^? 5.66 OXT ACT B 102 A 257 ALA B 56 ALA^? 8.94 O2 EDO B 104 A 328 ASP B 54 ASP.? 14.05 O2 EDO B 104 coo 39.84 24.12 8.44 38.50 24.23 9.11 21.07 -49.33 5.22 20.64 -49.53 6.65 coo 43.22 26.73 5.37 41.81 27.09 5.79 16.28 -47.46 2.65 16.71 -46.74 1.32 coo 38.17 34.10 6.67 37.72 32.06 6.84 11.31 -53.68 1.37 10.81 -55.59 0.54 ULMN 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 8 3 # 8 A 229 ALA B 7 ALA^? 5.66 OXT ACT B 102 A 257 ALA B 92 ALA^? 8.83 OXT ACT B 102 A 328 ASP B 89 ASP^? 14.56 OXT ACT B 102 coo 39.84 24.12 8.44 38.50 24.23 9.11 21.07 -49.33 5.22 20.64 -49.53 6.65 coo 43.22 26.73 5.37 41.81 27.09 5.79 24.93 -51.45 4.77 24.89 -51.19 6.29 coo 38.17 34.10 6.67 37.72 32.06 6.84 18.24 -59.30 3.92 20.30 -59.15 3.66 ULMN 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 9 3 # 9 A 229 ALA B 26 ALA~? 7.50 CH3 ACT B 102 A 257 ALA B 79 ALA~? 4.13 CH3 ACT B 102 A 328 ASP B 75 ASP~? 7.34 C2 EDO A 105 coo 39.84 24.12 8.44 38.50 24.23 9.11 9.64 -43.62 14.27 10.02 -45.05 14.62 coo 43.22 26.73 5.37 41.81 27.09 5.79 14.34 -47.52 16.26 14.86 -46.44 15.36 coo 38.17 34.10 6.67 37.72 32.06 6.84 16.30 -41.75 19.83 15.36 -40.72 21.44 ULMN 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 10 3 # 10 A 229 ALA B 33 ALA~? 8.06 O2 EDO A 105 A 257 ALA B 32 ALA~? 10.28 O2 EDO A 105 A 328 ASP A 72 ASP~? 9.41 O1 EDO A 102 coo 39.84 24.12 8.44 38.50 24.23 9.11 16.27 -36.36 18.68 15.57 -37.67 18.83 coo 43.22 26.73 5.37 41.81 27.09 5.79 14.99 -33.80 16.17 13.51 -33.56 16.44 coo 38.17 34.10 6.67 37.72 32.06 6.84 19.04 -26.10 21.93 20.11 -24.78 20.72 ULMN 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 11 3 # 11 A 229 ALA B 49 ALA.? 17.98 O2 EDO B 104 A 257 ALA B 50 ALA.? 21.64 O2 EDO B 104 A 328 ASP B 45 ASP.? 12.26 O2 EDO B 104 coo 39.84 24.12 8.44 38.50 24.23 9.11 13.00 -52.45 -10.51 14.42 -51.94 -10.34 coo 43.22 26.73 5.37 41.81 27.09 5.79 12.59 -56.19 -10.12 12.60 -57.13 -11.34 coo 38.17 34.10 6.67 37.72 32.06 6.84 11.53 -50.18 -2.63 12.16 -50.45 -4.66 ULMN 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 12 3 # 12 A 229 ALA B 50 ALA.? 21.64 O2 EDO B 104 A 257 ALA B 49 ALA.? 17.98 O2 EDO B 104 A 328 ASP B 45 ASP.? 12.26 O2 EDO B 104 coo 39.84 24.12 8.44 38.50 24.23 9.11 12.59 -56.19 -10.12 12.60 -57.13 -11.34 coo 43.22 26.73 5.37 41.81 27.09 5.79 13.00 -52.45 -10.51 14.42 -51.94 -10.34 coo 38.17 34.10 6.67 37.72 32.06 6.84 11.53 -50.18 -2.63 12.16 -50.45 -4.66 ULMN 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 13 3 # 13 A 229 ALA B 56 ALA^? 8.94 O2 EDO B 104 A 257 ALA B 7 ALA^? 5.66 OXT ACT B 102 A 328 ASP B 89 ASP^? 14.56 OXT ACT B 102 coo 39.84 24.12 8.44 38.50 24.23 9.11 16.28 -47.46 2.65 16.71 -46.74 1.32 coo 43.22 26.73 5.37 41.81 27.09 5.79 21.07 -49.33 5.22 20.64 -49.53 6.65 coo 38.17 34.10 6.67 37.72 32.06 6.84 18.24 -59.30 3.92 20.30 -59.15 3.66 ULMN 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 14 3 # 14 A 229 ALA B 81 ALA~? 10.03 CH3 ACT B 102 A 257 ALA B 79 ALA~? 4.13 CH3 ACT B 102 A 328 ASP B 75 ASP~? 7.34 C2 EDO A 105 coo 39.84 24.12 8.44 38.50 24.23 9.11 14.49 -52.51 18.03 14.38 -52.17 19.55 coo 43.22 26.73 5.37 41.81 27.09 5.79 14.34 -47.52 16.26 14.86 -46.44 15.36 coo 38.17 34.10 6.67 37.72 32.06 6.84 16.30 -41.75 19.83 15.36 -40.72 21.44 ULMN 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 15 3 # 15 A 229 ALA B 92 ALA^? 8.83 OXT ACT B 102 A 257 ALA B 7 ALA^? 5.66 OXT ACT B 102 A 328 ASP B 89 ASP^? 14.56 OXT ACT B 102 coo 39.84 24.12 8.44 38.50 24.23 9.11 24.93 -51.45 4.77 24.89 -51.19 6.29 coo 43.22 26.73 5.37 41.81 27.09 5.79 21.07 -49.33 5.22 20.64 -49.53 6.65 coo 38.17 34.10 6.67 37.72 32.06 6.84 18.24 -59.30 3.92 20.30 -59.15 3.66 1eo7_c00 source 1eo7 CYCLODEXTRIN GLYCOSYLTRANSFERASE : 15 hits 1eo7_c00 naa= 3 ULMN 3 1euu_c00 SIALIDASE user 1 3 # 1 92 ASP A 60 ASP^? 9.96 C2 EDO A 103 260 GLU A 36 GLU.? 4.60 C2 EDO A 104 370 TYR A 70 TYR~? 4.47 O2 EDO A 103s coo 8.60 -17.93 28.38 7.67 -19.04 26.88 31.34 -34.21 31.28 32.49 -33.56 32.90 coo 0.12 -12.06 25.14 1.33 -13.03 23.72 25.24 -36.15 22.76 23.21 -36.44 22.19 coo 4.66 -12.77 19.52 3.70 -14.16 21.71 23.80 -29.17 27.91 24.12 -28.60 30.60 ULMN 3 1euu_c00 SIALIDASE user 2 3 # 2 92 ASP B 60 ASP^? 5.67 C1 EDO B 105 260 GLU B 36 GLU.? 4.68 C1 EDO A 104 370 TYR B 70 TYR~? -4.61 O ACT B 102s coo 8.60 -17.93 28.38 7.67 -19.04 26.88 24.76 -37.09 5.99 24.21 -37.69 4.07 coo 0.12 -12.06 25.14 1.33 -13.03 23.72 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 4.66 -12.77 19.52 3.70 -14.16 21.71 23.57 -42.42 13.63 21.81 -43.83 12.00 ULMN 3 1euu_c00 SIALIDASE user 3 3 # 3 92 ASP B 75 ASP~? 7.34 C2 EDO A 105 260 GLU B 36 GLU.? 4.68 C1 EDO A 104 370 TYR B 70 TYR~? -4.61 O ACT B 102s coo 8.60 -17.93 28.38 7.67 -19.04 26.88 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 0.12 -12.06 25.14 1.33 -13.03 23.72 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 4.66 -12.77 19.52 3.70 -14.16 21.71 23.57 -42.42 13.63 21.81 -43.83 12.00 1euu_c00 source 1euu SIALIDASE : 3 hits 1euu_c00 naa= 3 ULMN 3 1euy_c00 GLUTAMINYL-TRNA SYNTHETASE user 1 3 # 1 A 34 GLU B 36 GLU.? 4.68 C1 EDO A 104 A 260 ARG B 4 ARG^? 5.32 O2 EDO B 105 A 270 LYS B 38 LYS.? 11.73 C1 EDO B 105 coo 50.99 29.43 12.86 52.11 29.45 14.65 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 39.80 27.50 22.98 42.20 26.56 21.34 25.02 -40.81 1.35 23.83 -38.19 0.28 coo 48.83 21.70 19.50 47.44 24.99 15.25 23.51 -33.84 9.67 26.45 -31.79 13.35 1euy_c00 source 1euy GLUTAMINYL-TRNA SYNTHETASE : 1 hits 1euy_c00 naa= 3 ULMN 3 1eyi_c00 FRUCTOSE-1,6-BISPHOSPHATASE user 1 3 # 1 A 68 ASP A 62 ASP^? -3.71 O1 EDO A 104s A 74 ASP A 65 ASP~? 10.10 C1 EDO A 104 A 98 GLU B 36 GLU.? 4.68 C1 EDO A 104 coo 17.19 9.05 25.28 15.77 9.98 26.53 29.38 -36.88 23.98 30.56 -38.20 22.76 coo 15.99 8.54 17.36 14.96 7.80 19.05 26.58 -32.44 17.88 27.18 -32.00 15.88 coo 16.31 12.85 18.11 16.71 11.79 19.90 26.07 -36.88 17.25 24.74 -37.15 18.88 ULMN 3 1eyi_c00 FRUCTOSE-1,6-BISPHOSPHATASE user 2 3 # 2 A 68 ASP A 65 ASP~? 10.10 C1 EDO A 104 A 74 ASP A 62 ASP^? -3.71 O1 EDO A 104s A 98 GLU A 36 GLU.? 4.60 C2 EDO A 104 coo 17.19 9.05 25.28 15.77 9.98 26.53 26.58 -32.44 17.88 27.18 -32.00 15.88 coo 15.99 8.54 17.36 14.96 7.80 19.05 29.38 -36.88 23.98 30.56 -38.20 22.76 coo 16.31 12.85 18.11 16.71 11.79 19.90 25.24 -36.15 22.76 23.21 -36.44 22.19 ULMN 3 1eyi_c00 FRUCTOSE-1,6-BISPHOSPHATASE user 3 3 # 3 A 68 ASP B 62 ASP^? 10.84 C1 EDO B 105 A 74 ASP A 65 ASP~? 10.10 C1 EDO A 104 A 98 GLU B 36 GLU.? 4.68 C1 EDO A 104 coo 17.19 9.05 25.28 15.77 9.98 26.53 30.23 -34.29 11.39 31.86 -33.00 11.08 coo 15.99 8.54 17.36 14.96 7.80 19.05 26.58 -32.44 17.88 27.18 -32.00 15.88 coo 16.31 12.85 18.11 16.71 11.79 19.90 26.07 -36.88 17.25 24.74 -37.15 18.88 ULMN 3 1eyi_c00 FRUCTOSE-1,6-BISPHOSPHATASE user 4 3 # 4 A 68 ASP B 65 ASP~? 10.18 C1 EDO A 104 A 74 ASP A 65 ASP~? 10.10 C1 EDO A 104 A 98 GLU B 36 GLU.? 4.68 C1 EDO A 104 coo 17.19 9.05 25.28 15.77 9.98 26.53 33.69 -38.88 16.48 35.60 -39.38 17.27 coo 15.99 8.54 17.36 14.96 7.80 19.05 26.58 -32.44 17.88 27.18 -32.00 15.88 coo 16.31 12.85 18.11 16.71 11.79 19.90 26.07 -36.88 17.25 24.74 -37.15 18.88 ULMN 3 1eyi_c00 FRUCTOSE-1,6-BISPHOSPHATASE user 5 3 # 5 A 68 ASP B 72 ASP~? -3.91 O2 EDO A 104s A 74 ASP A 62 ASP^? -3.71 O1 EDO A 104s A 98 GLU A 36 GLU.? 4.60 C2 EDO A 104 coo 17.19 9.05 25.28 15.77 9.98 26.53 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 15.99 8.54 17.36 14.96 7.80 19.05 29.38 -36.88 23.98 30.56 -38.20 22.76 coo 16.31 12.85 18.11 16.71 11.79 19.90 25.24 -36.15 22.76 23.21 -36.44 22.19 1eyi_c00 source 1eyi FRUCTOSE-1,6-BISPHOSPHATASE : 5 hits 1eyi_c00 naa= 3 ULMN 3 1ez2_c00 PHOSPHOTRIESTERASE user 1 3 # 1 A 233 ASP A 72 ASP~? 9.41 O1 EDO A 102 A 254 HIS A 73 HIS~? -4.02 O2 EDO A 105s A 301 ASP A 75 ASP~? -3.37 CL CL A 101s coo 54.85 -0.50 33.94 53.35 -1.92 34.23 19.04 -26.10 21.93 20.11 -24.78 20.72 coo 49.60 -2.04 34.84 49.44 -3.48 33.35 17.06 -30.49 26.75 15.82 -32.02 27.49 coo 45.28 -3.05 33.32 45.60 -4.40 31.72 16.12 -29.42 31.11 14.94 -31.11 31.50 ULMN 3 1ez2_c00 PHOSPHOTRIESTERASE user 2 3 # 2 A 233 ASP B 72 ASP~? -3.91 O2 EDO A 104s A 254 HIS B 73 HIS~? 5.11 C2 EDO A 104 A 301 ASP B 75 ASP~? 7.34 C2 EDO A 105 coo 54.85 -0.50 33.94 53.35 -1.92 34.23 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 49.60 -2.04 34.84 49.44 -3.48 33.35 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 45.28 -3.05 33.32 45.60 -4.40 31.72 16.30 -41.75 19.83 15.36 -40.72 21.44 ULMN 3 1ez2_c00 PHOSPHOTRIESTERASE user 3 3 # 3 A 233 ASP B 75 ASP~? 7.34 C2 EDO A 105 A 254 HIS B 73 HIS~? 5.11 C2 EDO A 104 A 301 ASP B 72 ASP~? -3.91 O2 EDO A 104s coo 54.85 -0.50 33.94 53.35 -1.92 34.23 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 49.60 -2.04 34.84 49.44 -3.48 33.35 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 45.28 -3.05 33.32 45.60 -4.40 31.72 26.38 -44.91 20.83 26.53 -45.26 22.94 1ez2_c00 source 1ez2 PHOSPHOTRIESTERASE : 3 hits 1ez2_c00 naa= 3 ULMN 3 1ez2_c01 PHOSPHOTRIESTERASE user 1 3 # 1 B 233 ASP A 72 ASP~? 9.41 O1 EDO A 102 B 254 HIS A 73 HIS~? -4.02 O2 EDO A 105s B 301 ASP A 75 ASP~? -3.37 CL CL A 101s coo 56.25 -34.15 2.23 54.65 -32.85 1.82 19.04 -26.10 21.93 20.11 -24.78 20.72 coo 50.90 -32.78 1.00 50.77 -31.41 2.56 17.06 -30.49 26.75 15.82 -32.02 27.49 coo 46.50 -31.79 2.21 46.79 -30.43 3.83 16.12 -29.42 31.11 14.94 -31.11 31.50 ULMN 3 1ez2_c01 PHOSPHOTRIESTERASE user 2 3 # 2 B 233 ASP A 72 ASP~? 9.41 O1 EDO A 102 B 254 HIS A 76 HIS~? 3.91 O2 EDO A 102s B 301 ASP A 75 ASP~? -3.37 CL CL A 101s coo 56.25 -34.15 2.23 54.65 -32.85 1.82 19.04 -26.10 21.93 20.11 -24.78 20.72 coo 50.90 -32.78 1.00 50.77 -31.41 2.56 20.68 -25.44 29.29 22.44 -24.37 29.64 coo 46.50 -31.79 2.21 46.79 -30.43 3.83 16.12 -29.42 31.11 14.94 -31.11 31.50 ULMN 3 1ez2_c01 PHOSPHOTRIESTERASE user 3 3 # 3 B 233 ASP B 72 ASP~? -3.91 O2 EDO A 104s B 254 HIS B 73 HIS~? 5.11 C2 EDO A 104 B 301 ASP B 75 ASP~? 7.34 C2 EDO A 105 coo 56.25 -34.15 2.23 54.65 -32.85 1.82 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 50.90 -32.78 1.00 50.77 -31.41 2.56 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 46.50 -31.79 2.21 46.79 -30.43 3.83 16.30 -41.75 19.83 15.36 -40.72 21.44 ULMN 3 1ez2_c01 PHOSPHOTRIESTERASE user 4 3 # 4 B 233 ASP B 75 ASP~? 7.34 C2 EDO A 105 B 254 HIS B 73 HIS~? 5.11 C2 EDO A 104 B 301 ASP B 72 ASP~? -3.91 O2 EDO A 104s coo 56.25 -34.15 2.23 54.65 -32.85 1.82 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 50.90 -32.78 1.00 50.77 -31.41 2.56 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 46.50 -31.79 2.21 46.79 -30.43 3.83 26.38 -44.91 20.83 26.53 -45.26 22.94 1ez2_c01 source 1ez2 PHOSPHOTRIESTERASE : 4 hits 1ez2_c01 naa= 3 ULMN 3 1f6d_c02 UDP-N-ACETYLGLUCOSAMINE 2-EPIMERASE user 1 3 # 1 C 95 ASP A 62 ASP^? -3.71 O1 EDO A 104s C 117 GLU A 64 GLU~? 12.93 C1 EDO A 102 C 131 GLU A 36 GLU.? 4.60 C2 EDO A 104 coo 68.01 56.37 72.57 68.42 56.10 70.51 29.38 -36.88 23.98 30.56 -38.20 22.76 coo 66.59 62.50 67.44 67.57 60.64 67.12 32.22 -28.58 19.32 33.17 -27.36 17.86 coo 69.24 52.27 71.96 69.91 50.26 71.89 25.24 -36.15 22.76 23.21 -36.44 22.19 ULMN 3 1f6d_c02 UDP-N-ACETYLGLUCOSAMINE 2-EPIMERASE user 2 3 # 2 C 95 ASP A 65 ASP~? 10.10 C1 EDO A 104 C 117 GLU A 64 GLU~? 12.93 C1 EDO A 102 C 131 GLU A 36 GLU.? 4.60 C2 EDO A 104 coo 68.01 56.37 72.57 68.42 56.10 70.51 26.58 -32.44 17.88 27.18 -32.00 15.88 coo 66.59 62.50 67.44 67.57 60.64 67.12 32.22 -28.58 19.32 33.17 -27.36 17.86 coo 69.24 52.27 71.96 69.91 50.26 71.89 25.24 -36.15 22.76 23.21 -36.44 22.19 ULMN 3 1f6d_c02 UDP-N-ACETYLGLUCOSAMINE 2-EPIMERASE user 3 3 # 3 C 95 ASP A 65 ASP~? 10.10 C1 EDO A 104 C 117 GLU A 64 GLU~? 12.93 C1 EDO A 102 C 131 GLU B 36 GLU.? 4.68 C1 EDO A 104 coo 68.01 56.37 72.57 68.42 56.10 70.51 26.58 -32.44 17.88 27.18 -32.00 15.88 coo 66.59 62.50 67.44 67.57 60.64 67.12 32.22 -28.58 19.32 33.17 -27.36 17.86 coo 69.24 52.27 71.96 69.91 50.26 71.89 26.07 -36.88 17.25 24.74 -37.15 18.88 1f6d_c02 source 1f6d UDP-N-ACETYLGLUCOSAMINE 2-EPIMERASE : 3 hits 1f6d_c02 naa= 3 ULMN 3 1f80_c03 ACYL CARRIER PROTEIN user 1 3 # 1 A 105 HIS A 76 HIS~? 3.91 O2 EDO A 102s C 62 LYS A 38 LYS^? -2.86 O1 EDO A 104s F 35 ASP A 75 ASP~? -3.37 CL CL A 101s coo 15.40 22.79 16.66 13.93 24.10 15.98 20.68 -25.44 29.29 22.44 -24.37 29.64 coo 19.95 18.98 4.81 18.82 20.94 10.49 27.72 -37.88 30.49 27.16 -40.68 26.03 coo 16.32 15.30 17.19 17.71 14.73 18.69 16.12 -29.42 31.11 14.94 -31.11 31.50 ULMN 3 1f80_c03 ACYL CARRIER PROTEIN user 2 3 # 2 A 105 HIS B 73 HIS~? 5.11 C2 EDO A 104 C 62 LYS A 38 LYS^? -2.86 O1 EDO A 104s F 35 ASP B 72 ASP~? -3.91 O2 EDO A 104s coo 15.40 22.79 16.66 13.93 24.10 15.98 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 19.95 18.98 4.81 18.82 20.94 10.49 27.72 -37.88 30.49 27.16 -40.68 26.03 coo 16.32 15.30 17.19 17.71 14.73 18.69 26.38 -44.91 20.83 26.53 -45.26 22.94 ULMN 3 1f80_c03 ACYL CARRIER PROTEIN user 3 3 # 3 A 105 HIS B 76 HIS~? -3.94 OXT ACT B 102s C 62 LYS B 38 LYS.? 11.73 C1 EDO B 105 F 35 ASP B 75 ASP~? 7.34 C2 EDO A 105 coo 15.40 22.79 16.66 13.93 24.10 15.98 20.42 -45.46 15.69 21.14 -46.68 14.13 coo 19.95 18.98 4.81 18.82 20.94 10.49 23.51 -33.84 9.67 26.45 -31.79 13.35 coo 16.32 15.30 17.19 17.71 14.73 18.69 16.30 -41.75 19.83 15.36 -40.72 21.44 1f80_c03 source 1f80 ACYL CARRIER PROTEIN : 3 hits 1f80_c03 naa= 3 ULMN 3 1f80_c04 ACYL CARRIER PROTEIN user 1 3 # 1 B 62 LYS A 38 LYS^? -2.86 O1 EDO A 104s C 105 HIS A 76 HIS~? 3.91 O2 EDO A 102s D 35 ASP A 75 ASP~? -3.37 CL CL A 101s coo 38.76 28.25 7.87 36.33 26.41 13.58 27.72 -37.88 30.49 27.16 -40.68 26.03 coo 34.93 19.72 17.37 34.72 18.17 15.98 20.68 -25.44 29.29 22.44 -24.37 29.64 coo 41.01 23.02 20.83 40.65 24.26 22.55 16.12 -29.42 31.11 14.94 -31.11 31.50 ULMN 3 1f80_c04 ACYL CARRIER PROTEIN user 2 3 # 2 B 62 LYS B 38 LYS.? 11.73 C1 EDO B 105 C 105 HIS B 73 HIS~? 5.11 C2 EDO A 104 D 35 ASP B 72 ASP~? -3.91 O2 EDO A 104s coo 38.76 28.25 7.87 36.33 26.41 13.58 23.51 -33.84 9.67 26.45 -31.79 13.35 coo 34.93 19.72 17.37 34.72 18.17 15.98 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 41.01 23.02 20.83 40.65 24.26 22.55 26.38 -44.91 20.83 26.53 -45.26 22.94 ULMN 3 1f80_c04 ACYL CARRIER PROTEIN user 3 3 # 3 B 62 LYS B 38 LYS.? 11.73 C1 EDO B 105 C 105 HIS B 76 HIS~? -3.94 OXT ACT B 102s D 35 ASP B 72 ASP~? -3.91 O2 EDO A 104s coo 38.76 28.25 7.87 36.33 26.41 13.58 23.51 -33.84 9.67 26.45 -31.79 13.35 coo 34.93 19.72 17.37 34.72 18.17 15.98 20.42 -45.46 15.69 21.14 -46.68 14.13 coo 41.01 23.02 20.83 40.65 24.26 22.55 26.38 -44.91 20.83 26.53 -45.26 22.94 ULMN 3 1f80_c04 ACYL CARRIER PROTEIN user 4 3 # 4 B 62 LYS B 38 LYS.? 11.73 C1 EDO B 105 C 105 HIS B 76 HIS~? -3.94 OXT ACT B 102s D 35 ASP B 75 ASP~? 7.34 C2 EDO A 105 coo 38.76 28.25 7.87 36.33 26.41 13.58 23.51 -33.84 9.67 26.45 -31.79 13.35 coo 34.93 19.72 17.37 34.72 18.17 15.98 20.42 -45.46 15.69 21.14 -46.68 14.13 coo 41.01 23.02 20.83 40.65 24.26 22.55 16.30 -41.75 19.83 15.36 -40.72 21.44 1f80_c04 source 1f80 ACYL CARRIER PROTEIN : 4 hits 1f80_c04 naa= 3 ULMN 3 1f80_c05 ACYL CARRIER PROTEIN user 1 3 # 1 A 62 LYS A 38 LYS^? -2.86 O1 EDO A 104s B 105 HIS A 76 HIS~? 3.91 O2 EDO A 102s E 35 ASP A 75 ASP~? -3.37 CL CL A 101s coo 20.51 39.76 8.83 21.23 37.38 14.18 27.72 -37.88 30.49 27.16 -40.68 26.03 coo 27.18 37.56 20.68 29.07 38.28 20.13 20.68 -25.44 29.29 22.44 -24.37 29.64 coo 19.97 40.39 22.03 18.53 39.30 23.18 16.12 -29.42 31.11 14.94 -31.11 31.50 ULMN 3 1f80_c05 ACYL CARRIER PROTEIN user 2 3 # 2 A 62 LYS A 38 LYS^? -2.86 O1 EDO A 104s B 105 HIS B 73 HIS~? 5.11 C2 EDO A 104 E 35 ASP B 72 ASP~? -3.91 O2 EDO A 104s coo 20.51 39.76 8.83 21.23 37.38 14.18 27.72 -37.88 30.49 27.16 -40.68 26.03 coo 27.18 37.56 20.68 29.07 38.28 20.13 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 19.97 40.39 22.03 18.53 39.30 23.18 26.38 -44.91 20.83 26.53 -45.26 22.94 ULMN 3 1f80_c05 ACYL CARRIER PROTEIN user 3 3 # 3 A 62 LYS B 38 LYS.? 11.73 C1 EDO B 105 B 105 HIS B 76 HIS~? -3.94 OXT ACT B 102s E 35 ASP B 75 ASP~? 7.34 C2 EDO A 105 coo 20.51 39.76 8.83 21.23 37.38 14.18 23.51 -33.84 9.67 26.45 -31.79 13.35 coo 27.18 37.56 20.68 29.07 38.28 20.13 20.42 -45.46 15.69 21.14 -46.68 14.13 coo 19.97 40.39 22.03 18.53 39.30 23.18 16.30 -41.75 19.83 15.36 -40.72 21.44 1f80_c05 source 1f80 ACYL CARRIER PROTEIN : 3 hits 1f80_c05 naa= 3 ULMN 3 1fc4_c02 2-AMINO-3-KETOBUTYRATE CONENZYME A Luser 1 3 # 1 A 112 PHE A 67 PHE~? -4.76 C1 EDO A 102s A 210 ASP A 65 ASP~? 10.10 C1 EDO A 104 A 244 LYS A 38 LYS^? -2.86 O1 EDO A 104s coo 9.23 46.77 25.11 11.48 48.39 24.76 28.51 -27.10 24.33 28.72 -24.72 25.76 coo 10.51 37.86 19.71 9.07 39.38 20.04 26.58 -32.44 17.88 27.18 -32.00 15.88 coo -1.20 42.34 17.67 3.19 45.13 19.06 27.72 -37.88 30.49 27.16 -40.68 26.03 ULMN 3 1fc4_c02 2-AMINO-3-KETOBUTYRATE CONENZYME A Luser 2 3 # 2 A 112 PHE B 67 PHE~? 9.52 OXT ACT B 102 A 210 ASP B 65 ASP~? 10.18 C1 EDO A 104 A 244 LYS B 38 LYS.? 11.73 C1 EDO B 105 coo 9.23 46.77 25.11 11.48 48.39 24.76 29.04 -44.24 11.72 28.04 -46.76 11.25 coo 10.51 37.86 19.71 9.07 39.38 20.04 33.69 -38.88 16.48 35.60 -39.38 17.27 coo -1.20 42.34 17.67 3.19 45.13 19.06 23.51 -33.84 9.67 26.45 -31.79 13.35 1fc4_c02 source 1fc4 2-AMINO-3-KETOBUTYRATE CONENZYME A LIGASE : 2 hits 1fc4_c02 naa= 3 ULMN 3 1fc4_c03 2-AMINO-3-KETOBUTYRATE CONENZYME A Luser 1 3 # 1 B 112 PHE A 67 PHE~? -4.76 C1 EDO A 102s B 210 ASP A 65 ASP~? 10.10 C1 EDO A 104 B 244 LYS A 38 LYS^? -2.86 O1 EDO A 104s coo 8.76 47.85 34.91 11.08 46.36 35.41 28.51 -27.10 24.33 28.72 -24.72 25.76 coo 9.06 56.85 40.30 7.71 55.27 39.90 26.58 -32.44 17.88 27.18 -32.00 15.88 coo -2.38 51.82 41.62 2.07 49.19 40.42 27.72 -37.88 30.49 27.16 -40.68 26.03 ULMN 3 1fc4_c03 2-AMINO-3-KETOBUTYRATE CONENZYME A Luser 2 3 # 2 B 112 PHE B 67 PHE~? 9.52 OXT ACT B 102 B 210 ASP B 65 ASP~? 10.18 C1 EDO A 104 B 244 LYS B 38 LYS.? 11.73 C1 EDO B 105 coo 8.76 47.85 34.91 11.08 46.36 35.41 29.04 -44.24 11.72 28.04 -46.76 11.25 coo 9.06 56.85 40.30 7.71 55.27 39.90 33.69 -38.88 16.48 35.60 -39.38 17.27 coo -2.38 51.82 41.62 2.07 49.19 40.42 23.51 -33.84 9.67 26.45 -31.79 13.35 1fc4_c03 source 1fc4 2-AMINO-3-KETOBUTYRATE CONENZYME A LIGASE : 2 hits 1fc4_c03 naa= 3 ULMN 3 1fc4_c04 2-AMINO-3-KETOBUTYRATE CONENZYME A Luser 1 3 # 1 A 136 HIS A 76 HIS~? 3.91 O2 EDO A 102s A 210 ASP A 75 ASP~? -3.37 CL CL A 101s A 244 LYS A 38 LYS^? -2.86 O1 EDO A 104s coo 11.28 44.53 18.60 9.91 46.00 19.20 20.68 -25.44 29.29 22.44 -24.37 29.64 coo 10.51 37.86 19.71 9.07 39.38 20.04 16.12 -29.42 31.11 14.94 -31.11 31.50 coo -1.20 42.34 17.67 3.19 45.13 19.06 27.72 -37.88 30.49 27.16 -40.68 26.03 ULMN 3 1fc4_c04 2-AMINO-3-KETOBUTYRATE CONENZYME A Luser 2 3 # 2 A 136 HIS B 73 HIS~? 5.11 C2 EDO A 104 A 210 ASP B 72 ASP~? -3.91 O2 EDO A 104s A 244 LYS A 38 LYS^? -2.86 O1 EDO A 104s coo 11.28 44.53 18.60 9.91 46.00 19.20 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 10.51 37.86 19.71 9.07 39.38 20.04 26.38 -44.91 20.83 26.53 -45.26 22.94 coo -1.20 42.34 17.67 3.19 45.13 19.06 27.72 -37.88 30.49 27.16 -40.68 26.03 1fc4_c04 source 1fc4 2-AMINO-3-KETOBUTYRATE CONENZYME A LIGASE : 2 hits 1fc4_c04 naa= 3 ULMN 3 1fc4_c05 2-AMINO-3-KETOBUTYRATE CONENZYME A Luser 1 3 # 1 B 136 HIS A 76 HIS~? 3.91 O2 EDO A 102s B 210 ASP A 75 ASP~? -3.37 CL CL A 101s B 244 LYS A 38 LYS^? -2.86 O1 EDO A 104s coo 10.08 50.18 41.78 8.91 48.61 41.04 20.68 -25.44 29.29 22.44 -24.37 29.64 coo 9.06 56.85 40.30 7.71 55.27 39.90 16.12 -29.42 31.11 14.94 -31.11 31.50 coo -2.38 51.82 41.62 2.07 49.19 40.42 27.72 -37.88 30.49 27.16 -40.68 26.03 ULMN 3 1fc4_c05 2-AMINO-3-KETOBUTYRATE CONENZYME A Luser 2 3 # 2 B 136 HIS B 73 HIS~? 5.11 C2 EDO A 104 B 210 ASP B 72 ASP~? -3.91 O2 EDO A 104s B 244 LYS A 38 LYS^? -2.86 O1 EDO A 104s coo 10.08 50.18 41.78 8.91 48.61 41.04 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 9.06 56.85 40.30 7.71 55.27 39.90 26.38 -44.91 20.83 26.53 -45.26 22.94 coo -2.38 51.82 41.62 2.07 49.19 40.42 27.72 -37.88 30.49 27.16 -40.68 26.03 1fc4_c05 source 1fc4 2-AMINO-3-KETOBUTYRATE CONENZYME A LIGASE : 2 hits 1fc4_c05 naa= 3 ULMN 3 1fdy_c01 N-ACETYLNEURAMINATE LYASE user 1 3 # 1 B 137 TYR A 40 TYR^? -3.88 C2 EDO A 103s B 142 LEU A 27 LEU~? 3.79 O1 EDO A 103s B 165 LYS A 38 LYS^? -2.86 O1 EDO A 104s coo 1.63 -78.98 -34.99 0.64 -76.54 -34.02 24.80 -33.38 35.92 22.50 -34.77 36.54 coo -5.98 -74.54 -33.87 -5.92 -72.62 -32.92 21.06 -27.70 39.01 21.99 -25.89 38.38 coo 4.26 -81.75 -30.55 3.40 -75.83 -32.08 27.72 -37.88 30.49 27.16 -40.68 26.03 1fdy_c01 source 1fdy N-ACETYLNEURAMINATE LYASE : 1 hits 1fdy_c01 naa= 3 ULMN 3 1fdy_c02 N-ACETYLNEURAMINATE LYASE user 1 3 # 1 C 137 TYR A 40 TYR^? -3.88 C2 EDO A 103s C 142 LEU A 27 LEU~? 3.79 O1 EDO A 103s C 165 LYS A 38 LYS^? -2.86 O1 EDO A 104s coo -19.42 -69.79 -47.15 -19.24 -72.58 -47.52 24.80 -33.38 35.92 22.50 -34.77 36.54 coo -15.96 -76.69 -42.83 -16.62 -78.73 -42.99 21.06 -27.70 39.01 21.99 -25.89 38.38 coo -25.12 -68.79 -47.79 -21.06 -72.76 -50.30 27.72 -37.88 30.49 27.16 -40.68 26.03 1fdy_c02 source 1fdy N-ACETYLNEURAMINATE LYASE : 1 hits 1fdy_c02 naa= 3 ULMN 3 1fdy_c03 N-ACETYLNEURAMINATE LYASE user 1 3 # 1 D 137 TYR A 40 TYR^? -3.88 C2 EDO A 103s D 142 LEU A 27 LEU~? 3.79 O1 EDO A 103s D 165 LYS A 38 LYS^? -2.86 O1 EDO A 104s coo -19.43 -82.92 -7.62 -19.06 -85.28 -9.04 24.80 -33.38 35.92 22.50 -34.77 36.54 coo -21.22 -86.47 -15.56 -20.39 -88.44 -15.62 21.06 -27.70 39.01 21.99 -25.89 38.38 coo -14.17 -80.73 -6.25 -16.63 -86.38 -7.08 27.72 -37.88 30.49 27.16 -40.68 26.03 1fdy_c03 source 1fdy N-ACETYLNEURAMINATE LYASE : 1 hits 1fdy_c03 naa= 3 ULMN 3 1foh_c00 PHENOL HYDROXYLASE user 1 3 # 1 A 54 ASP A 60 ASP^? 9.96 C2 EDO A 103 A 281 ARG A 4 ARG^? 11.15 O1 EDO A 106 A 289 TYR A 40 TYR^? -3.88 C2 EDO A 103s coo 54.86 40.00 47.23 55.57 38.60 48.67 31.34 -34.21 31.28 32.49 -33.56 32.90 coo 52.08 40.18 50.14 50.83 38.93 47.73 35.29 -30.48 33.81 35.42 -33.13 35.27 coo 57.82 31.70 50.73 57.94 34.00 49.17 24.80 -33.38 35.92 22.50 -34.77 36.54 ULMN 3 1foh_c00 PHENOL HYDROXYLASE user 2 3 # 2 A 54 ASP A 72 ASP~? 9.41 O1 EDO A 102 A 281 ARG A 77 ARG~? 12.24 O2 EDO A 105 A 289 TYR A 70 TYR~? 4.47 O2 EDO A 103s coo 54.86 40.00 47.23 55.57 38.60 48.67 19.04 -26.10 21.93 20.11 -24.78 20.72 coo 52.08 40.18 50.14 50.83 38.93 47.73 15.52 -22.75 25.33 12.48 -23.17 25.81 coo 57.82 31.70 50.73 57.94 34.00 49.17 23.80 -29.17 27.91 24.12 -28.60 30.60 ULMN 3 1foh_c00 PHENOL HYDROXYLASE user 3 3 # 3 A 54 ASP B 60 ASP^? 5.67 C1 EDO B 105 A 281 ARG B 4 ARG^? 5.32 O2 EDO B 105 A 289 TYR B 40 TYR^? 4.63 O ACT B 102s coo 54.86 40.00 47.23 55.57 38.60 48.67 24.76 -37.09 5.99 24.21 -37.69 4.07 coo 52.08 40.18 50.14 50.83 38.93 47.73 25.02 -40.81 1.35 23.83 -38.19 0.28 coo 57.82 31.70 50.73 57.94 34.00 49.17 17.73 -39.49 9.16 17.04 -42.03 10.10 ULMN 3 1foh_c00 PHENOL HYDROXYLASE user 4 3 # 4 A 54 ASP B 72 ASP~? -3.91 O2 EDO A 104s A 281 ARG B 77 ARG~? 7.48 O2 EDO A 104 A 289 TYR B 70 TYR~? -4.61 O ACT B 102s coo 54.86 40.00 47.23 55.57 38.60 48.67 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 52.08 40.18 50.14 50.83 38.93 47.73 21.83 -48.69 21.52 20.83 -47.48 24.21 coo 57.82 31.70 50.73 57.94 34.00 49.17 23.57 -42.42 13.63 21.81 -43.83 12.00 1foh_c00 source 1foh PHENOL HYDROXYLASE : 4 hits 1foh_c00 naa= 3 ULMN 3 1foh_c01 PHENOL HYDROXYLASE user 1 3 # 1 B 54 ASP A 60 ASP^? 9.96 C2 EDO A 103 B 281 ARG A 4 ARG^? 11.15 O1 EDO A 106 B 289 TYR A 40 TYR^? -3.88 C2 EDO A 103s coo 90.56 80.24 98.04 90.36 81.53 96.34 31.34 -34.21 31.28 32.49 -33.56 32.90 coo 86.62 80.67 97.51 87.37 82.00 100.10 35.29 -30.48 33.81 35.42 -33.13 35.27 coo 91.83 88.28 92.88 92.60 85.93 94.14 24.80 -33.38 35.92 22.50 -34.77 36.54 ULMN 3 1foh_c01 PHENOL HYDROXYLASE user 2 3 # 2 B 54 ASP A 72 ASP~? 9.41 O1 EDO A 102 B 281 ARG A 77 ARG~? 12.24 O2 EDO A 105 B 289 TYR A 70 TYR~? 4.47 O2 EDO A 103s coo 90.56 80.24 98.04 90.36 81.53 96.34 19.04 -26.10 21.93 20.11 -24.78 20.72 coo 86.62 80.67 97.51 87.37 82.00 100.10 15.52 -22.75 25.33 12.48 -23.17 25.81 coo 91.83 88.28 92.88 92.60 85.93 94.14 23.80 -29.17 27.91 24.12 -28.60 30.60 ULMN 3 1foh_c01 PHENOL HYDROXYLASE user 3 3 # 3 B 54 ASP B 60 ASP^? 5.67 C1 EDO B 105 B 281 ARG B 4 ARG^? 5.32 O2 EDO B 105 B 289 TYR B 40 TYR^? 4.63 O ACT B 102s coo 90.56 80.24 98.04 90.36 81.53 96.34 24.76 -37.09 5.99 24.21 -37.69 4.07 coo 86.62 80.67 97.51 87.37 82.00 100.10 25.02 -40.81 1.35 23.83 -38.19 0.28 coo 91.83 88.28 92.88 92.60 85.93 94.14 17.73 -39.49 9.16 17.04 -42.03 10.10 ULMN 3 1foh_c01 PHENOL HYDROXYLASE user 4 3 # 4 B 54 ASP B 72 ASP~? -3.91 O2 EDO A 104s B 281 ARG B 77 ARG~? 7.48 O2 EDO A 104 B 289 TYR B 70 TYR~? -4.61 O ACT B 102s coo 90.56 80.24 98.04 90.36 81.53 96.34 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 86.62 80.67 97.51 87.37 82.00 100.10 21.83 -48.69 21.52 20.83 -47.48 24.21 coo 91.83 88.28 92.88 92.60 85.93 94.14 23.57 -42.42 13.63 21.81 -43.83 12.00 1foh_c01 source 1foh PHENOL HYDROXYLASE : 4 hits 1foh_c01 naa= 3 ULMN 3 1fr8_c00 BETA 1,4 GALACTOSYLTRANSFERASE user 1 3 # 1 A 317 GLU A 36 GLU.? 4.60 C2 EDO A 104 A 319 ASP B 72 ASP~? -3.91 O2 EDO A 104s A 359 ARG B 77 ARG~? 7.48 O2 EDO A 104 coo 14.41 12.40 16.42 12.92 13.74 15.71 25.24 -36.15 22.76 23.21 -36.44 22.19 coo 12.25 13.04 23.85 11.56 15.02 23.93 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 10.89 14.95 28.28 12.39 12.53 29.31 21.83 -48.69 21.52 20.83 -47.48 24.21 ULMN 3 1fr8_c00 BETA 1,4 GALACTOSYLTRANSFERASE user 2 3 # 2 A 317 GLU B 36 GLU.? 4.68 C1 EDO A 104 A 319 ASP B 72 ASP~? -3.91 O2 EDO A 104s A 359 ARG B 77 ARG~? 7.48 O2 EDO A 104 coo 14.41 12.40 16.42 12.92 13.74 15.71 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 12.25 13.04 23.85 11.56 15.02 23.93 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 10.89 14.95 28.28 12.39 12.53 29.31 21.83 -48.69 21.52 20.83 -47.48 24.21 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 36 GLU.? 4.60 C2 EDO A 104 B 319 ASP B 72 ASP~? -3.91 O2 EDO A 104s B 359 ARG B 68 ARG~? 13.19 C1 EDO A 104 coo 10.77 13.13 40.94 11.03 14.73 39.51 25.24 -36.15 22.76 23.21 -36.44 22.19 coo 3.77 12.64 38.21 3.35 14.53 37.39 26.38 -44.91 20.83 26.53 -45.26 22.94 coo -1.16 15.32 35.60 -3.32 13.56 36.98 31.65 -46.03 15.78 32.85 -48.29 14.05 ULMN 3 1fr8_c01 BETA 1,4 GALACTOSYLTRANSFERASE user 2 3 # 2 B 317 GLU A 36 GLU.? 4.60 C2 EDO A 104 B 319 ASP B 72 ASP~? -3.91 O2 EDO A 104s B 359 ARG B 77 ARG~? 7.48 O2 EDO A 104 coo 10.77 13.13 40.94 11.03 14.73 39.51 25.24 -36.15 22.76 23.21 -36.44 22.19 coo 3.77 12.64 38.21 3.35 14.53 37.39 26.38 -44.91 20.83 26.53 -45.26 22.94 coo -1.16 15.32 35.60 -3.32 13.56 36.98 21.83 -48.69 21.52 20.83 -47.48 24.21 ULMN 3 1fr8_c01 BETA 1,4 GALACTOSYLTRANSFERASE user 3 3 # 3 B 317 GLU B 36 GLU.? 4.68 C1 EDO A 104 B 319 ASP B 72 ASP~? -3.91 O2 EDO A 104s B 359 ARG B 77 ARG~? 7.48 O2 EDO A 104 coo 10.77 13.13 40.94 11.03 14.73 39.51 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 3.77 12.64 38.21 3.35 14.53 37.39 26.38 -44.91 20.83 26.53 -45.26 22.94 coo -1.16 15.32 35.60 -3.32 13.56 36.98 21.83 -48.69 21.52 20.83 -47.48 24.21 1fr8_c01 source 1fr8 BETA 1,4 GALACTOSYLTRANSFERASE : 3 hits 1fr8_c01 naa= 3 ULMN 3 1g8f_c00 SULFATE ADENYLYLTRANSFERASE user 1 3 # 1 A 197 ARG A 68 ARG~? 7.24 O1 EDO A 102 A 201 HIS A 73 HIS~? -4.02 O2 EDO A 105s A 204 HIS A 76 HIS~? 3.91 O2 EDO A 102s coo -27.47 20.45 37.96 -26.70 17.86 36.51 26.63 -25.29 20.33 28.77 -23.06 20.70 coo -15.08 14.90 41.58 -16.70 13.64 42.02 17.06 -30.49 26.75 15.82 -32.02 27.49 coo -15.44 20.23 39.72 -16.43 18.87 38.47 20.68 -25.44 29.29 22.44 -24.37 29.64 ULMN 3 1g8f_c00 SULFATE ADENYLYLTRANSFERASE user 2 3 # 2 A 197 ARG B 68 ARG~? 13.19 C1 EDO A 104 A 201 HIS B 73 HIS~? 5.11 C2 EDO A 104 A 204 HIS B 76 HIS~? -3.94 OXT ACT B 102s coo -27.47 20.45 37.96 -26.70 17.86 36.51 31.65 -46.03 15.78 32.85 -48.29 14.05 coo -15.08 14.90 41.58 -16.70 13.64 42.02 21.13 -40.83 20.13 19.87 -39.36 20.93 coo -15.44 20.23 39.72 -16.43 18.87 38.47 20.42 -45.46 15.69 21.14 -46.68 14.13 1g8f_c00 source 1g8f SULFATE ADENYLYLTRANSFERASE : 2 hits 1g8f_c00 naa= 3 ULMN 3 1gal_c00 GLUCOSE OXIDASE (E.C.1.1.3.4) user 1 3 # 1 412 GLU B 36 GLU.? 4.68 C1 EDO A 104 516 HIS B 76 HIS~? -3.94 OXT ACT B 102s 559 HIS B 73 HIS~? 5.11 C2 EDO A 104 coo 49.01 14.50 52.53 46.99 14.61 52.78 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 41.59 7.83 54.15 41.16 9.87 53.87 20.42 -45.46 15.69 21.14 -46.68 14.13 coo 42.22 14.55 52.50 43.91 14.87 53.60 21.13 -40.83 20.13 19.87 -39.36 20.93 1gal_c00 source 1gal GLUCOSE OXIDASE (E.C.1.1.3.4) : 1 hits 1gal_c00 naa= 3 ULMN 3 1gtx_c00 4-AMINOBUTYRATE AMINOTRANSFERASE user 1 3 # 1 A 189 PHE B 67 PHE~? 9.52 OXT ACT B 102 A 298 ASP B 65 ASP~? 10.18 C1 EDO A 104 A 329 LYS B 38 LYS.? 11.73 C1 EDO B 105 coo 6.56 -4.17 18.88 9.26 -4.62 19.48 29.04 -44.24 11.72 28.04 -46.76 11.25 coo 2.59 0.29 25.55 4.65 0.18 25.07 33.69 -38.88 16.48 35.60 -39.38 17.27 coo 12.42 6.10 23.27 9.95 1.57 20.16 23.51 -33.84 9.67 26.45 -31.79 13.35 1gtx_c00 source 1gtx 4-AMINOBUTYRATE AMINOTRANSFERASE : 1 hits 1gtx_c00 naa= 3 ULMN 3 1gtx_c01 4-AMINOBUTYRATE AMINOTRANSFERASE user 1 3 # 1 B 189 PHE B 67 PHE~? 9.52 OXT ACT B 102 B 298 ASP B 65 ASP~? 10.18 C1 EDO A 104 B 329 LYS B 38 LYS.? 11.73 C1 EDO B 105 coo 20.14 -12.51 41.29 18.81 -10.14 40.57 29.04 -44.24 11.72 28.04 -46.76 11.25 coo 25.22 -15.42 34.53 24.48 -13.46 34.89 33.69 -38.88 16.48 35.60 -39.38 17.27 coo 27.68 -4.10 35.68 24.39 -7.59 39.32 23.51 -33.84 9.67 26.45 -31.79 13.35 1gtx_c01 source 1gtx 4-AMINOBUTYRATE AMINOTRANSFERASE : 1 hits 1gtx_c01 naa= 3 ULMN 3 1gtx_c02 4-AMINOBUTYRATE AMINOTRANSFERASE user 1 3 # 1 C 189 PHE B 67 PHE~? 9.52 OXT ACT B 102 C 298 ASP B 65 ASP~? 10.18 C1 EDO A 104 C 329 LYS B 38 LYS.? 11.73 C1 EDO B 105 coo 17.41 60.57 64.39 18.40 58.12 65.34 29.04 -44.24 11.72 28.04 -46.76 11.25 coo 24.10 66.43 63.33 24.18 64.30 63.40 33.69 -38.88 16.48 35.60 -39.38 17.27 coo 27.64 56.61 58.17 22.18 57.92 60.36 23.51 -33.84 9.67 26.45 -31.79 13.35 1gtx_c02 source 1gtx 4-AMINOBUTYRATE AMINOTRANSFERASE : 1 hits 1gtx_c02 naa= 3 ULMN 3 1gtx_c03 4-AMINOBUTYRATE AMINOTRANSFERASE user 1 3 # 1 D 189 PHE B 67 PHE~? 9.52 OXT ACT B 102 D 298 ASP B 65 ASP~? 10.18 C1 EDO A 104 D 329 LYS B 38 LYS.? 11.73 C1 EDO B 105 coo 35.44 53.35 83.81 35.65 54.53 81.28 29.04 -44.24 11.72 28.04 -46.76 11.25 coo 29.72 46.46 83.60 30.79 47.36 81.99 33.69 -38.88 16.48 35.60 -39.38 17.27 coo 36.89 44.91 74.55 37.33 48.94 79.01 23.51 -33.84 9.67 26.45 -31.79 13.35 1gtx_c03 source 1gtx 4-AMINOBUTYRATE AMINOTRANSFERASE : 1 hits 1gtx_c03 naa= 3 ULMN 3 1h19_c00 LEUKOTRIENE A-4 HYDROLASE user 1 3 # 1 A 271 GLN A -1 GLN.? 6.08 C1 EDO A 104 A 296 GLU A 36 GLU.? 4.60 C2 EDO A 104 A 383 TYR B 70 TYR~? -4.61 O ACT B 102s coo 38.07 -1.37 3.28 36.21 -0.34 2.92 29.96 -42.38 21.18 30.64 -44.39 21.08 coo 40.93 4.45 2.36 38.91 3.75 2.26 25.24 -36.15 22.76 23.21 -36.44 22.19 coo 30.54 7.22 6.23 31.38 5.79 3.97 23.57 -42.42 13.63 21.81 -43.83 12.00 1h19_c00 source 1h19 LEUKOTRIENE A-4 HYDROLASE : 1 hits 1h19_c00 naa= 3 ULMN 3 1hto_c00 GLUTAMINE SYNTHETASE user 1 3 # 1 A 50 ASP A 18 ASP~? 14.69 C1 EDO A 108 A 327 GLU B 64 GLU~? 15.64 C1 EDO A 104 A 339 ARG B 68 ARG~? 13.19 C1 EDO A 104 coo 85.81 57.99 116.01 86.03 55.86 115.89 14.49 -20.29 50.53 14.14 -20.83 52.57 coo 75.11 41.01 160.30 76.65 40.06 161.41 35.47 -42.81 11.09 36.89 -44.38 11.18 coo 82.23 40.35 159.87 85.09 40.67 161.01 31.65 -46.03 15.78 32.85 -48.29 14.05 1hto_c00 source 1hto GLUTAMINE SYNTHETASE : 1 hits 1hto_c00 naa= 3 ULMN 3 1i29_c01 CSDB user 1 3 # 1 A 123 HIS A 76 HIS~? 3.91 O2 EDO A 102s A 200 ASP A 75 ASP~? -3.37 CL CL A 101s A 226 LYS A 38 LYS^? -2.86 O1 EDO A 104s coo 23.24 46.58 4.39 24.43 46.59 2.66 20.68 -25.44 29.29 22.44 -24.37 29.64 coo 24.51 43.28 11.18 25.17 44.50 9.58 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 34.47 51.09 7.19 28.58 51.18 7.53 27.72 -37.88 30.49 27.16 -40.68 26.03 ULMN 3 1i29_c01 CSDB user 2 3 # 2 A 123 HIS B 73 HIS~? 5.11 C2 EDO A 104 A 200 ASP B 72 ASP~? -3.91 O2 EDO A 104s A 226 LYS A 38 LYS^? -2.86 O1 EDO A 104s coo 23.24 46.58 4.39 24.43 46.59 2.66 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 24.51 43.28 11.18 25.17 44.50 9.58 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 34.47 51.09 7.19 28.58 51.18 7.53 27.72 -37.88 30.49 27.16 -40.68 26.03 ULMN 3 1i29_c01 CSDB user 3 3 # 3 A 123 HIS B 76 HIS~? -3.94 OXT ACT B 102s A 200 ASP B 75 ASP~? 7.34 C2 EDO A 105 A 226 LYS B 38 LYS.? 11.73 C1 EDO B 105 coo 23.24 46.58 4.39 24.43 46.59 2.66 20.42 -45.46 15.69 21.14 -46.68 14.13 coo 24.51 43.28 11.18 25.17 44.50 9.58 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 34.47 51.09 7.19 28.58 51.18 7.53 23.51 -33.84 9.67 26.45 -31.79 13.35 1i29_c01 source 1i29 CSDB : 3 hits 1i29_c01 naa= 3 ULMN 3 1i29_c03 CSDB user 1 3 # 1 A 128 VAL A 23 VAL~? 8.11 C4 NBZ A 112 A 200 ASP A 75 ASP~? -3.37 CL CL A 101s A 226 LYS A 38 LYS^? -2.86 O1 EDO A 104s coo 19.13 38.05 1.41 19.72 38.80 -0.53 18.63 -23.49 42.19 20.13 -21.99 41.58 coo 24.51 43.28 11.18 25.17 44.50 9.58 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 34.47 51.09 7.19 28.58 51.18 7.53 27.72 -37.88 30.49 27.16 -40.68 26.03 ULMN 3 1i29_c03 CSDB user 2 3 # 2 A 128 VAL B 23 VAL~? 7.55 CH3 ACT B 102 A 200 ASP B 75 ASP~? 7.34 C2 EDO A 105 A 226 LYS B 38 LYS.? 11.73 C1 EDO B 105 coo 19.13 38.05 1.41 19.72 38.80 -0.53 8.85 -47.46 11.09 10.25 -48.99 10.40 coo 24.51 43.28 11.18 25.17 44.50 9.58 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 34.47 51.09 7.19 28.58 51.18 7.53 23.51 -33.84 9.67 26.45 -31.79 13.35 1i29_c03 source 1i29 CSDB : 2 hits 1i29_c03 naa= 3 ULMN 3 1inp_c02 INOSITOL POLYPHOSPHATE 1-PHOSPHATASEuser 1 3 # 1 54 ASP A 13 ASP.? 6.05 O1 EDO A 108 158 THR A 16 THR~? 10.29 C1 EDO A 108 317 ASP A 54 ASP.? 2.78 C2 EDO A 108s coo -2.63 8.40 35.07 -3.66 9.81 36.17 21.76 -7.39 47.19 23.64 -6.46 47.40 coo -5.30 12.75 41.86 -4.34 13.05 39.99 18.27 -15.79 49.86 16.11 -15.41 49.76 coo -12.63 17.64 33.66 -10.65 17.90 34.40 27.81 -17.65 45.48 28.28 -15.77 46.28 ULMN 3 1inp_c02 INOSITOL POLYPHOSPHATE 1-PHOSPHATASEuser 2 3 # 2 54 ASP B 13 ASP.? 22.26 CH3 ACT B 102 158 THR B 16 THR~? 16.70 C2 EDO B 104 317 ASP B 54 ASP.? 14.05 O2 EDO B 104 coo -2.63 8.40 35.07 -3.66 9.81 36.17 6.46 -63.72 5.72 6.54 -64.46 3.76 coo -5.30 12.75 41.86 -4.34 13.05 39.99 2.66 -55.54 7.23 1.64 -56.00 9.09 coo -12.63 17.64 33.66 -10.65 17.90 34.40 11.31 -53.68 1.37 10.81 -55.59 0.54 1inp_c02 source 1inp INOSITOL POLYPHOSPHATE 1-PHOSPHATASE (1-PTASE): 2 hits 1inp_c02 naa= 3 ULMN 3 1ir3_c02 INSULIN RECEPTOR user 1 3 # 1 A1132 ASP A 13 ASP.? 6.05 O1 EDO A 108 A1134 ALA A 88 ALA^? 5.94 O2 EDO A 108 A1137 ASN A 12 ASN.? 8.27 O2 EDO A 108 coo -27.05 34.58 17.12 -25.81 32.84 17.16 21.76 -7.39 47.19 23.64 -6.46 47.40 coo -20.53 36.39 15.81 -20.80 35.01 16.40 25.70 -10.46 39.97 26.31 -10.14 41.35 coo -23.72 34.69 12.49 -24.32 32.83 13.34 22.62 -9.72 42.54 20.75 -10.53 42.11 ULMN 3 1ir3_c02 INSULIN RECEPTOR user 2 3 # 2 A1132 ASP A 45 ASP.? -3.72 C2 EDO A 111s A1134 ALA A 49 ALA.? 7.65 O2 EDO A 109 A1137 ASN A 52 ASN.? -6.21 C2 EDO A 111s coo -27.05 34.58 17.12 -25.81 32.84 17.16 31.14 -21.11 47.49 33.11 -20.89 48.17 coo -20.53 36.39 15.81 -20.80 35.01 16.40 38.56 -18.95 50.55 39.23 -19.49 49.28 coo -23.72 34.69 12.49 -24.32 32.83 13.34 35.15 -18.30 46.67 36.80 -19.55 46.81 ULMN 3 1ir3_c02 INSULIN RECEPTOR user 3 3 # 3 A1132 ASP B 13 ASP.? 22.26 CH3 ACT B 102 A1134 ALA B 88 ALA^? 16.39 CH3 ACT B 102 A1137 ASN B 12 ASN.? 15.94 CH3 ACT B 102 coo -27.05 34.58 17.12 -25.81 32.84 17.16 6.46 -63.72 5.72 6.54 -64.46 3.76 coo -20.53 36.39 15.81 -20.80 35.01 16.40 14.63 -60.74 6.28 13.88 -61.04 4.95 coo -23.72 34.69 12.49 -24.32 32.83 13.34 10.97 -61.50 7.37 10.43 -60.80 9.30 ULMN 3 1ir3_c02 INSULIN RECEPTOR user 4 3 # 4 A1132 ASP B 45 ASP.? 12.26 O2 EDO B 104 A1134 ALA B 49 ALA.? 17.98 O2 EDO B 104 A1137 ASN B 52 ASN.? 15.61 O2 EDO B 104 coo -27.05 34.58 17.12 -25.81 32.84 17.16 11.53 -50.18 -2.63 12.16 -50.45 -4.66 coo -20.53 36.39 15.81 -20.80 35.01 16.40 13.00 -52.45 -10.51 14.42 -51.94 -10.34 coo -23.72 34.69 12.49 -24.32 32.83 13.34 14.32 -53.01 -5.43 15.07 -51.80 -6.99 ULMN 3 1ir3_c02 INSULIN RECEPTOR user 5 3 # 5 A1132 ASP B 60 ASP^? 5.67 C1 EDO B 105 A1134 ALA B 41 ALA^? -3.70 C2 EDO B 103s A1137 ASN B 39 ASN^? 4.87 O1 EDO B 105 coo -27.05 34.58 17.12 -25.81 32.84 17.16 24.76 -37.09 5.99 24.21 -37.69 4.07 coo -20.53 36.39 15.81 -20.80 35.01 16.40 16.46 -39.57 4.47 16.91 -39.22 3.06 coo -23.72 34.69 12.49 -24.32 32.83 13.34 21.48 -35.09 5.61 22.53 -33.31 5.12 1ir3_c02 source 1ir3 INSULIN RECEPTOR : 5 hits 1ir3_c02 naa= 3 ULMN 3 1itx_c00 GLYCOSYL HYDROLASE user 1 3 # 1 A 202 ASP A 62 ASP^? -3.71 O1 EDO A 104s A 204 GLU A 36 GLU.? 4.60 C2 EDO A 104 A 279 TYR B 70 TYR~? -4.61 O ACT B 102s coo 5.85 5.60 30.32 5.00 7.49 29.88 29.38 -36.88 23.98 30.56 -38.20 22.76 coo 7.79 1.83 27.81 9.08 3.25 26.92 25.24 -36.15 22.76 23.21 -36.44 22.19 coo 8.22 7.77 18.64 7.58 8.47 21.28 23.57 -42.42 13.63 21.81 -43.83 12.00 ULMN 3 1itx_c00 GLYCOSYL HYDROLASE user 2 3 # 2 A 202 ASP A 65 ASP~? 10.10 C1 EDO A 104 A 204 GLU A 36 GLU.? 4.60 C2 EDO A 104 A 279 TYR B 70 TYR~? -4.61 O ACT B 102s coo 5.85 5.60 30.32 5.00 7.49 29.88 26.58 -32.44 17.88 27.18 -32.00 15.88 coo 7.79 1.83 27.81 9.08 3.25 26.92 25.24 -36.15 22.76 23.21 -36.44 22.19 coo 8.22 7.77 18.64 7.58 8.47 21.28 23.57 -42.42 13.63 21.81 -43.83 12.00 1itx_c00 source 1itx GLYCOSYL HYDROLASE : 2 hits 1itx_c00 naa= 3 ULMN 3 1j70_c00 ATP SULPHURYLASE user 1 3 # 1 A 197 ARG A 68 ARG~? 7.24 O1 EDO A 102 A 201 HIS A 73 HIS~? -4.02 O2 EDO A 105s A 204 HIS A 76 HIS~? 3.91 O2 EDO A 102s coo -32.92 141.33 -11.12 -31.04 140.06 -13.21 26.63 -25.29 20.33 28.77 -23.06 20.70 coo -19.36 141.46 -7.82 -20.46 139.73 -7.39 17.06 -30.49 26.75 15.82 -32.02 27.49 coo -21.65 146.14 -9.69 -22.29 144.59 -10.94 20.68 -25.44 29.29 22.44 -24.37 29.64 ULMN 3 1j70_c00 ATP SULPHURYLASE user 2 3 # 2 A 197 ARG B 68 ARG~? 13.19 C1 EDO A 104 A 201 HIS B 73 HIS~? 5.11 C2 EDO A 104 A 204 HIS B 76 HIS~? -3.94 OXT ACT B 102s coo -32.92 141.33 -11.12 -31.04 140.06 -13.21 31.65 -46.03 15.78 32.85 -48.29 14.05 coo -19.36 141.46 -7.82 -20.46 139.73 -7.39 21.13 -40.83 20.13 19.87 -39.36 20.93 coo -21.65 146.14 -9.69 -22.29 144.59 -10.94 20.42 -45.46 15.69 21.14 -46.68 14.13 1j70_c00 source 1j70 ATP SULPHURYLASE : 2 hits 1j70_c00 naa= 3 ULMN 3 1j70_c01 ATP SULPHURYLASE user 1 3 # 1 B 197 ARG A 68 ARG~? 7.24 O1 EDO A 102 B 201 HIS A 73 HIS~? -4.02 O2 EDO A 105s B 204 HIS A 76 HIS~? 3.91 O2 EDO A 102s coo -18.85 104.93 27.44 -18.03 106.58 29.88 26.63 -25.29 20.33 28.77 -23.06 20.70 coo -8.48 114.03 24.38 -10.47 114.55 23.97 17.06 -30.49 26.75 15.82 -32.02 27.49 coo -6.99 108.94 26.28 -8.54 109.57 27.55 20.68 -25.44 29.29 22.44 -24.37 29.64 ULMN 3 1j70_c01 ATP SULPHURYLASE user 2 3 # 2 B 197 ARG B 68 ARG~? 13.19 C1 EDO A 104 B 201 HIS B 73 HIS~? 5.11 C2 EDO A 104 B 204 HIS B 76 HIS~? -3.94 OXT ACT B 102s coo -18.85 104.93 27.44 -18.03 106.58 29.88 31.65 -46.03 15.78 32.85 -48.29 14.05 coo -8.48 114.03 24.38 -10.47 114.55 23.97 21.13 -40.83 20.13 19.87 -39.36 20.93 coo -6.99 108.94 26.28 -8.54 109.57 27.55 20.42 -45.46 15.69 21.14 -46.68 14.13 1j70_c01 source 1j70 ATP SULPHURYLASE : 2 hits 1j70_c01 naa= 3 ULMN 3 1j70_c02 ATP SULPHURYLASE user 1 3 # 1 C 197 ARG A 68 ARG~? 7.24 O1 EDO A 102 C 201 HIS A 73 HIS~? -4.02 O2 EDO A 105s C 204 HIS A 76 HIS~? 3.91 O2 EDO A 102s coo 30.92 14.23 15.70 28.82 13.90 13.48 26.63 -25.29 20.33 28.77 -23.06 20.70 coo 20.16 5.55 18.86 20.00 7.59 19.34 17.06 -30.49 26.75 15.82 -32.02 27.49 coo 24.92 3.29 16.90 24.41 4.92 15.69 20.68 -25.44 29.29 22.44 -24.37 29.64 ULMN 3 1j70_c02 ATP SULPHURYLASE user 2 3 # 2 C 197 ARG B 68 ARG~? 13.19 C1 EDO A 104 C 201 HIS B 73 HIS~? 5.11 C2 EDO A 104 C 204 HIS B 76 HIS~? -3.94 OXT ACT B 102s coo 30.92 14.23 15.70 28.82 13.90 13.48 31.65 -46.03 15.78 32.85 -48.29 14.05 coo 20.16 5.55 18.86 20.00 7.59 19.34 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 24.92 3.29 16.90 24.41 4.92 15.69 20.42 -45.46 15.69 21.14 -46.68 14.13 1j70_c02 source 1j70 ATP SULPHURYLASE : 2 hits 1j70_c02 naa= 3 ULMN 3 1js4_c00 ENDO-EXOCELLULASE E4 user 1 3 # 1 A 55 ASP B 62 ASP^? 10.84 C1 EDO B 105 A 58 ASP B 65 ASP~? 10.18 C1 EDO A 104 A 424 GLU A 64 GLU~? 12.93 C1 EDO A 102 coo 58.42 47.76 20.67 58.01 49.10 19.12 30.23 -34.29 11.39 31.86 -33.00 11.08 coo 58.59 41.80 18.81 58.94 43.89 18.94 33.69 -38.88 16.48 35.60 -39.38 17.27 coo 52.85 46.34 13.34 54.09 44.97 14.42 32.22 -28.58 19.32 33.17 -27.36 17.86 ULMN 3 1js4_c00 ENDO-EXOCELLULASE E4 user 2 3 # 2 A 55 ASP B 62 ASP^? 10.84 C1 EDO B 105 A 58 ASP B 65 ASP~? 10.18 C1 EDO A 104 A 424 GLU B 36 GLU.? 4.68 C1 EDO A 104 coo 58.42 47.76 20.67 58.01 49.10 19.12 30.23 -34.29 11.39 31.86 -33.00 11.08 coo 58.59 41.80 18.81 58.94 43.89 18.94 33.69 -38.88 16.48 35.60 -39.38 17.27 coo 52.85 46.34 13.34 54.09 44.97 14.42 26.07 -36.88 17.25 24.74 -37.15 18.88 ULMN 3 1js4_c00 ENDO-EXOCELLULASE E4 user 3 3 # 3 A 55 ASP B 65 ASP~? 10.18 C1 EDO A 104 A 58 ASP B 62 ASP^? 10.84 C1 EDO B 105 A 424 GLU A 64 GLU~? 12.93 C1 EDO A 102 coo 58.42 47.76 20.67 58.01 49.10 19.12 33.69 -38.88 16.48 35.60 -39.38 17.27 coo 58.59 41.80 18.81 58.94 43.89 18.94 30.23 -34.29 11.39 31.86 -33.00 11.08 coo 52.85 46.34 13.34 54.09 44.97 14.42 32.22 -28.58 19.32 33.17 -27.36 17.86 ULMN 3 1js4_c00 ENDO-EXOCELLULASE E4 user 4 3 # 4 A 55 ASP B 65 ASP~? 10.18 C1 EDO A 104 A 58 ASP B 62 ASP^? 10.84 C1 EDO B 105 A 424 GLU B 36 GLU.? 4.68 C1 EDO A 104 coo 58.42 47.76 20.67 58.01 49.10 19.12 33.69 -38.88 16.48 35.60 -39.38 17.27 coo 58.59 41.80 18.81 58.94 43.89 18.94 30.23 -34.29 11.39 31.86 -33.00 11.08 coo 52.85 46.34 13.34 54.09 44.97 14.42 26.07 -36.88 17.25 24.74 -37.15 18.88 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 62 ASP^? -3.71 O1 EDO A 104s B 58 ASP A 65 ASP~? 10.10 C1 EDO A 104 B 424 GLU A 64 GLU~? 12.93 C1 EDO A 102 coo 112.10 61.46 19.99 111.82 60.65 18.07 29.38 -36.88 23.98 30.56 -38.20 22.76 coo 117.85 63.62 21.08 115.96 63.25 20.18 26.58 -32.44 17.88 27.18 -32.00 15.88 coo 118.47 57.23 15.57 119.32 58.77 16.73 32.22 -28.58 19.32 33.17 -27.36 17.86 ULMN 3 1js4_c01 ENDO-EXOCELLULASE E4 user 2 3 # 2 B 55 ASP A 65 ASP~? 10.10 C1 EDO A 104 B 58 ASP A 62 ASP^? -3.71 O1 EDO A 104s B 424 GLU A 64 GLU~? 12.93 C1 EDO A 102 coo 112.10 61.46 19.99 111.82 60.65 18.07 26.58 -32.44 17.88 27.18 -32.00 15.88 coo 117.85 63.62 21.08 115.96 63.25 20.18 29.38 -36.88 23.98 30.56 -38.20 22.76 coo 118.47 57.23 15.57 119.32 58.77 16.73 32.22 -28.58 19.32 33.17 -27.36 17.86 ULMN 3 1js4_c01 ENDO-EXOCELLULASE E4 user 3 3 # 3 B 55 ASP A 65 ASP~? 10.10 C1 EDO A 104 B 58 ASP B 62 ASP^? 10.84 C1 EDO B 105 B 424 GLU A 64 GLU~? 12.93 C1 EDO A 102 coo 112.10 61.46 19.99 111.82 60.65 18.07 26.58 -32.44 17.88 27.18 -32.00 15.88 coo 117.85 63.62 21.08 115.96 63.25 20.18 30.23 -34.29 11.39 31.86 -33.00 11.08 coo 118.47 57.23 15.57 119.32 58.77 16.73 32.22 -28.58 19.32 33.17 -27.36 17.86 ULMN 3 1js4_c01 ENDO-EXOCELLULASE E4 user 4 3 # 4 B 55 ASP B 62 ASP^? 10.84 C1 EDO B 105 B 58 ASP A 65 ASP~? 10.10 C1 EDO A 104 B 424 GLU A 64 GLU~? 12.93 C1 EDO A 102 coo 112.10 61.46 19.99 111.82 60.65 18.07 30.23 -34.29 11.39 31.86 -33.00 11.08 coo 117.85 63.62 21.08 115.96 63.25 20.18 26.58 -32.44 17.88 27.18 -32.00 15.88 coo 118.47 57.23 15.57 119.32 58.77 16.73 32.22 -28.58 19.32 33.17 -27.36 17.86 ULMN 3 1js4_c01 ENDO-EXOCELLULASE E4 user 5 3 # 5 B 55 ASP B 62 ASP^? 10.84 C1 EDO B 105 B 58 ASP B 65 ASP~? 10.18 C1 EDO A 104 B 424 GLU B 36 GLU.? 4.68 C1 EDO A 104 coo 112.10 61.46 19.99 111.82 60.65 18.07 30.23 -34.29 11.39 31.86 -33.00 11.08 coo 117.85 63.62 21.08 115.96 63.25 20.18 33.69 -38.88 16.48 35.60 -39.38 17.27 coo 118.47 57.23 15.57 119.32 58.77 16.73 26.07 -36.88 17.25 24.74 -37.15 18.88 ULMN 3 1js4_c01 ENDO-EXOCELLULASE E4 user 6 3 # 6 B 55 ASP B 62 ASP^? 10.84 C1 EDO B 105 B 58 ASP B 65 ASP~? 10.18 C1 EDO A 104 B 424 GLU B 64 GLU~? 15.64 C1 EDO A 104 coo 112.10 61.46 19.99 111.82 60.65 18.07 30.23 -34.29 11.39 31.86 -33.00 11.08 coo 117.85 63.62 21.08 115.96 63.25 20.18 33.69 -38.88 16.48 35.60 -39.38 17.27 coo 118.47 57.23 15.57 119.32 58.77 16.73 35.47 -42.81 11.09 36.89 -44.38 11.18 ULMN 3 1js4_c01 ENDO-EXOCELLULASE E4 user 7 3 # 7 B 55 ASP B 65 ASP~? 10.18 C1 EDO A 104 B 58 ASP B 62 ASP^? 10.84 C1 EDO B 105 B 424 GLU A 64 GLU~? 12.93 C1 EDO A 102 coo 112.10 61.46 19.99 111.82 60.65 18.07 33.69 -38.88 16.48 35.60 -39.38 17.27 coo 117.85 63.62 21.08 115.96 63.25 20.18 30.23 -34.29 11.39 31.86 -33.00 11.08 coo 118.47 57.23 15.57 119.32 58.77 16.73 32.22 -28.58 19.32 33.17 -27.36 17.86 ULMN 3 1js4_c01 ENDO-EXOCELLULASE E4 user 8 3 # 8 B 55 ASP B 65 ASP~? 10.18 C1 EDO A 104 B 58 ASP B 62 ASP^? 10.84 C1 EDO B 105 B 424 GLU B 36 GLU.? 4.68 C1 EDO A 104 coo 112.10 61.46 19.99 111.82 60.65 18.07 33.69 -38.88 16.48 35.60 -39.38 17.27 coo 117.85 63.62 21.08 115.96 63.25 20.18 30.23 -34.29 11.39 31.86 -33.00 11.08 coo 118.47 57.23 15.57 119.32 58.77 16.73 26.07 -36.88 17.25 24.74 -37.15 18.88 ULMN 3 1js4_c01 ENDO-EXOCELLULASE E4 user 9 3 # 9 B 55 ASP B 65 ASP~? 10.18 C1 EDO A 104 B 58 ASP B 62 ASP^? 10.84 C1 EDO B 105 B 424 GLU B 64 GLU~? 15.64 C1 EDO A 104 coo 112.10 61.46 19.99 111.82 60.65 18.07 33.69 -38.88 16.48 35.60 -39.38 17.27 coo 117.85 63.62 21.08 115.96 63.25 20.18 30.23 -34.29 11.39 31.86 -33.00 11.08 coo 118.47 57.23 15.57 119.32 58.77 16.73 35.47 -42.81 11.09 36.89 -44.38 11.18 1js4_c01 source 1js4 ENDO-EXOCELLULASE E4 : 9 hits 1js4_c01 naa= 3 ULMN 3 1k82_c00 FORMAMIDOPYRIMIDINE-DNA GLYCOSYLASE user 1 3 # 1 A 2 GLU A 36 GLU.? 4.60 C2 EDO A 104 A 56 LYS A 38 LYS^? -2.86 O1 EDO A 104s A 258 ARG A 68 ARG~? 7.24 O1 EDO A 102 coo 42.33 1.56 26.99 42.38 2.91 28.66 25.24 -36.15 22.76 23.21 -36.44 22.19 coo 38.45 -0.44 19.89 37.36 0.90 25.90 27.72 -37.88 30.49 27.16 -40.68 26.03 coo 36.54 -1.79 35.54 37.68 -1.44 32.69 26.63 -25.29 20.33 28.77 -23.06 20.70 ULMN 3 1k82_c00 FORMAMIDOPYRIMIDINE-DNA GLYCOSYLASE user 2 3 # 2 A 2 GLU B 36 GLU.? 4.68 C1 EDO A 104 A 56 LYS B 38 LYS.? 11.73 C1 EDO B 105 A 258 ARG A 68 ARG~? 7.24 O1 EDO A 102 coo 42.33 1.56 26.99 42.38 2.91 28.66 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 38.45 -0.44 19.89 37.36 0.90 25.90 23.51 -33.84 9.67 26.45 -31.79 13.35 coo 36.54 -1.79 35.54 37.68 -1.44 32.69 26.63 -25.29 20.33 28.77 -23.06 20.70 ULMN 3 1k82_c00 FORMAMIDOPYRIMIDINE-DNA GLYCOSYLASE user 3 3 # 3 A 2 GLU B 36 GLU.? 4.68 C1 EDO A 104 A 56 LYS B 38 LYS.? 11.73 C1 EDO B 105 A 258 ARG B 68 ARG~? 13.19 C1 EDO A 104 coo 42.33 1.56 26.99 42.38 2.91 28.66 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 38.45 -0.44 19.89 37.36 0.90 25.90 23.51 -33.84 9.67 26.45 -31.79 13.35 coo 36.54 -1.79 35.54 37.68 -1.44 32.69 31.65 -46.03 15.78 32.85 -48.29 14.05 1k82_c00 source 1k82 FORMAMIDOPYRIMIDINE-DNA GLYCOSYLASE : 3 hits 1k82_c00 naa= 3 ULMN 3 1k82_c01 FORMAMIDOPYRIMIDINE-DNA GLYCOSYLASE user 1 3 # 1 B 2 GLU A 36 GLU.? 4.60 C2 EDO A 104 B 56 LYS A 38 LYS^? -2.86 O1 EDO A 104s B 258 ARG A 68 ARG~? 7.24 O1 EDO A 102 coo -2.88 -2.27 26.18 -2.94 -3.40 27.96 25.24 -36.15 22.76 23.21 -36.44 22.19 coo 1.37 -0.44 19.19 2.21 -1.48 25.26 27.72 -37.88 30.49 27.16 -40.68 26.03 coo 2.64 1.83 34.81 1.56 1.13 32.02 26.63 -25.29 20.33 28.77 -23.06 20.70 ULMN 3 1k82_c01 FORMAMIDOPYRIMIDINE-DNA GLYCOSYLASE user 2 3 # 2 B 2 GLU B 36 GLU.? 4.68 C1 EDO A 104 B 56 LYS B 38 LYS.? 11.73 C1 EDO B 105 B 258 ARG A 68 ARG~? 7.24 O1 EDO A 102 coo -2.88 -2.27 26.18 -2.94 -3.40 27.96 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 1.37 -0.44 19.19 2.21 -1.48 25.26 23.51 -33.84 9.67 26.45 -31.79 13.35 coo 2.64 1.83 34.81 1.56 1.13 32.02 26.63 -25.29 20.33 28.77 -23.06 20.70 ULMN 3 1k82_c01 FORMAMIDOPYRIMIDINE-DNA GLYCOSYLASE user 3 3 # 3 B 2 GLU B 36 GLU.? 4.68 C1 EDO A 104 B 56 LYS B 38 LYS.? 11.73 C1 EDO B 105 B 258 ARG B 68 ARG~? 13.19 C1 EDO A 104 coo -2.88 -2.27 26.18 -2.94 -3.40 27.96 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 1.37 -0.44 19.19 2.21 -1.48 25.26 23.51 -33.84 9.67 26.45 -31.79 13.35 coo 2.64 1.83 34.81 1.56 1.13 32.02 31.65 -46.03 15.78 32.85 -48.29 14.05 1k82_c01 source 1k82 FORMAMIDOPYRIMIDINE-DNA GLYCOSYLASE : 3 hits 1k82_c01 naa= 3 ULMN 3 1k82_c02 FORMAMIDOPYRIMIDINE-DNA GLYCOSYLASE user 1 3 # 1 C 2 GLU A 36 GLU.? 4.60 C2 EDO A 104 C 56 LYS A 38 LYS^? -2.86 O1 EDO A 104s C 258 ARG A 68 ARG~? 7.24 O1 EDO A 102 coo 43.38 -1.09 -22.48 43.25 -2.24 -24.24 25.24 -36.15 22.76 23.21 -36.44 22.19 coo 39.00 0.70 -15.53 38.30 -0.73 -21.58 27.72 -37.88 30.49 27.16 -40.68 26.03 coo 37.62 2.54 -31.11 38.78 1.93 -28.33 26.63 -25.29 20.33 28.77 -23.06 20.70 ULMN 3 1k82_c02 FORMAMIDOPYRIMIDINE-DNA GLYCOSYLASE user 2 3 # 2 C 2 GLU B 36 GLU.? 4.68 C1 EDO A 104 C 56 LYS B 38 LYS.? 11.73 C1 EDO B 105 C 258 ARG A 68 ARG~? 7.24 O1 EDO A 102 coo 43.38 -1.09 -22.48 43.25 -2.24 -24.24 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 39.00 0.70 -15.53 38.30 -0.73 -21.58 23.51 -33.84 9.67 26.45 -31.79 13.35 coo 37.62 2.54 -31.11 38.78 1.93 -28.33 26.63 -25.29 20.33 28.77 -23.06 20.70 ULMN 3 1k82_c02 FORMAMIDOPYRIMIDINE-DNA GLYCOSYLASE user 3 3 # 3 C 2 GLU B 36 GLU.? 4.68 C1 EDO A 104 C 56 LYS B 38 LYS.? 11.73 C1 EDO B 105 C 258 ARG B 68 ARG~? 13.19 C1 EDO A 104 coo 43.38 -1.09 -22.48 43.25 -2.24 -24.24 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 39.00 0.70 -15.53 38.30 -0.73 -21.58 23.51 -33.84 9.67 26.45 -31.79 13.35 coo 37.62 2.54 -31.11 38.78 1.93 -28.33 31.65 -46.03 15.78 32.85 -48.29 14.05 1k82_c02 source 1k82 FORMAMIDOPYRIMIDINE-DNA GLYCOSYLASE : 3 hits 1k82_c02 naa= 3 ULMN 3 1k82_c03 FORMAMIDOPYRIMIDINE-DNA GLYCOSYLASE user 1 3 # 1 D 2 GLU A 36 GLU.? 4.60 C2 EDO A 104 D 56 LYS A 38 LYS^? -2.86 O1 EDO A 104s D 258 ARG A 68 ARG~? 7.24 O1 EDO A 102 coo -2.14 0.68 -23.29 -2.02 1.93 -25.00 25.24 -36.15 22.76 23.21 -36.44 22.19 coo 2.02 -1.43 -16.27 3.11 0.23 -22.16 27.72 -37.88 30.49 27.16 -40.68 26.03 coo 4.06 -2.42 -31.79 2.79 -2.18 -28.99 26.63 -25.29 20.33 28.77 -23.06 20.70 ULMN 3 1k82_c03 FORMAMIDOPYRIMIDINE-DNA GLYCOSYLASE user 2 3 # 2 D 2 GLU B 36 GLU.? 4.68 C1 EDO A 104 D 56 LYS B 38 LYS.? 11.73 C1 EDO B 105 D 258 ARG A 68 ARG~? 7.24 O1 EDO A 102 coo -2.14 0.68 -23.29 -2.02 1.93 -25.00 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 2.02 -1.43 -16.27 3.11 0.23 -22.16 23.51 -33.84 9.67 26.45 -31.79 13.35 coo 4.06 -2.42 -31.79 2.79 -2.18 -28.99 26.63 -25.29 20.33 28.77 -23.06 20.70 ULMN 3 1k82_c03 FORMAMIDOPYRIMIDINE-DNA GLYCOSYLASE user 3 3 # 3 D 2 GLU B 36 GLU.? 4.68 C1 EDO A 104 D 56 LYS B 38 LYS.? 11.73 C1 EDO B 105 D 258 ARG B 68 ARG~? 13.19 C1 EDO A 104 coo -2.14 0.68 -23.29 -2.02 1.93 -25.00 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 2.02 -1.43 -16.27 3.11 0.23 -22.16 23.51 -33.84 9.67 26.45 -31.79 13.35 coo 4.06 -2.42 -31.79 2.79 -2.18 -28.99 31.65 -46.03 15.78 32.85 -48.29 14.05 1k82_c03 source 1k82 FORMAMIDOPYRIMIDINE-DNA GLYCOSYLASE : 3 hits 1k82_c03 naa= 3 ULMN 3 1lam_c00 LEUCINE AMINOPEPTIDASE user 1 3 # 1 255 ASP A 62 ASP^? -3.71 O1 EDO A 104s 262 LYS A 38 LYS^? -2.86 O1 EDO A 104s 336 ARG A 68 ARG~? 7.24 O1 EDO A 102 coo 61.88 50.78 12.96 63.84 50.60 13.71 29.38 -36.88 23.98 30.56 -38.20 22.76 coo 63.59 44.40 18.32 63.20 49.74 17.95 27.72 -37.88 30.49 27.16 -40.68 26.03 coo 72.60 57.42 15.86 71.61 56.68 18.70 26.63 -25.29 20.33 28.77 -23.06 20.70 ULMN 3 1lam_c00 LEUCINE AMINOPEPTIDASE user 2 3 # 2 255 ASP A 62 ASP^? -3.71 O1 EDO A 104s 262 LYS A 38 LYS^? -2.86 O1 EDO A 104s 336 ARG B 68 ARG~? 13.19 C1 EDO A 104 coo 61.88 50.78 12.96 63.84 50.60 13.71 29.38 -36.88 23.98 30.56 -38.20 22.76 coo 63.59 44.40 18.32 63.20 49.74 17.95 27.72 -37.88 30.49 27.16 -40.68 26.03 coo 72.60 57.42 15.86 71.61 56.68 18.70 31.65 -46.03 15.78 32.85 -48.29 14.05 ULMN 3 1lam_c00 LEUCINE AMINOPEPTIDASE user 3 3 # 3 255 ASP A 62 ASP^? -3.71 O1 EDO A 104s 262 LYS A 38 LYS^? -2.86 O1 EDO A 104s 336 ARG B 77 ARG~? 7.48 O2 EDO A 104 coo 61.88 50.78 12.96 63.84 50.60 13.71 29.38 -36.88 23.98 30.56 -38.20 22.76 coo 63.59 44.40 18.32 63.20 49.74 17.95 27.72 -37.88 30.49 27.16 -40.68 26.03 coo 72.60 57.42 15.86 71.61 56.68 18.70 21.83 -48.69 21.52 20.83 -47.48 24.21 ULMN 3 1lam_c00 LEUCINE AMINOPEPTIDASE user 4 3 # 4 255 ASP A 65 ASP~? 10.10 C1 EDO A 104 262 LYS B 38 LYS.? 11.73 C1 EDO B 105 336 ARG B 68 ARG~? 13.19 C1 EDO A 104 coo 61.88 50.78 12.96 63.84 50.60 13.71 26.58 -32.44 17.88 27.18 -32.00 15.88 coo 63.59 44.40 18.32 63.20 49.74 17.95 23.51 -33.84 9.67 26.45 -31.79 13.35 coo 72.60 57.42 15.86 71.61 56.68 18.70 31.65 -46.03 15.78 32.85 -48.29 14.05 ULMN 3 1lam_c00 LEUCINE AMINOPEPTIDASE user 5 3 # 5 255 ASP B 62 ASP^? 10.84 C1 EDO B 105 262 LYS B 38 LYS.? 11.73 C1 EDO B 105 336 ARG A 68 ARG~? 7.24 O1 EDO A 102 coo 61.88 50.78 12.96 63.84 50.60 13.71 30.23 -34.29 11.39 31.86 -33.00 11.08 coo 63.59 44.40 18.32 63.20 49.74 17.95 23.51 -33.84 9.67 26.45 -31.79 13.35 coo 72.60 57.42 15.86 71.61 56.68 18.70 26.63 -25.29 20.33 28.77 -23.06 20.70 ULMN 3 1lam_c00 LEUCINE AMINOPEPTIDASE user 6 3 # 6 255 ASP B 62 ASP^? 10.84 C1 EDO B 105 262 LYS B 38 LYS.? 11.73 C1 EDO B 105 336 ARG B 68 ARG~? 13.19 C1 EDO A 104 coo 61.88 50.78 12.96 63.84 50.60 13.71 30.23 -34.29 11.39 31.86 -33.00 11.08 coo 63.59 44.40 18.32 63.20 49.74 17.95 23.51 -33.84 9.67 26.45 -31.79 13.35 coo 72.60 57.42 15.86 71.61 56.68 18.70 31.65 -46.03 15.78 32.85 -48.29 14.05 1lam_c00 source 1lam LEUCINE AMINOPEPTIDASE : 6 hits 1lam_c00 naa= 3 ULMN 3 1ldm_c01 M4 LACTATE DEHYDROGENASE user 1 3 # 1 166 ASP A 72 ASP~? 9.41 O1 EDO A 102 169 ARG A 77 ARG~? 12.24 O2 EDO A 105 193 HIS A 73 HIS~? -4.02 O2 EDO A 105s coo 20.88 15.91 3.60 20.25 17.72 4.50 19.04 -26.10 21.93 20.11 -24.78 20.72 coo 17.70 17.91 -0.80 15.74 19.74 0.84 15.52 -22.75 25.33 12.48 -23.17 25.81 coo 18.81 19.85 7.63 17.55 19.89 5.97 17.06 -30.49 26.75 15.82 -32.02 27.49 ULMN 3 1ldm_c01 M4 LACTATE DEHYDROGENASE user 2 3 # 2 166 ASP A 72 ASP~? 9.41 O1 EDO A 102 169 ARG A 77 ARG~? 12.24 O2 EDO A 105 193 HIS A 76 HIS~? 3.91 O2 EDO A 102s coo 20.88 15.91 3.60 20.25 17.72 4.50 19.04 -26.10 21.93 20.11 -24.78 20.72 coo 17.70 17.91 -0.80 15.74 19.74 0.84 15.52 -22.75 25.33 12.48 -23.17 25.81 coo 18.81 19.85 7.63 17.55 19.89 5.97 20.68 -25.44 29.29 22.44 -24.37 29.64 ULMN 3 1ldm_c01 M4 LACTATE DEHYDROGENASE user 3 3 # 3 166 ASP B 72 ASP~? -3.91 O2 EDO A 104s 169 ARG B 77 ARG~? 7.48 O2 EDO A 104 193 HIS B 73 HIS~? 5.11 C2 EDO A 104 coo 20.88 15.91 3.60 20.25 17.72 4.50 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 17.70 17.91 -0.80 15.74 19.74 0.84 21.83 -48.69 21.52 20.83 -47.48 24.21 coo 18.81 19.85 7.63 17.55 19.89 5.97 21.13 -40.83 20.13 19.87 -39.36 20.93 ULMN 3 1ldm_c01 M4 LACTATE DEHYDROGENASE user 4 3 # 4 166 ASP B 72 ASP~? -3.91 O2 EDO A 104s 169 ARG B 77 ARG~? 7.48 O2 EDO A 104 193 HIS B 76 HIS~? -3.94 OXT ACT B 102s coo 20.88 15.91 3.60 20.25 17.72 4.50 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 17.70 17.91 -0.80 15.74 19.74 0.84 21.83 -48.69 21.52 20.83 -47.48 24.21 coo 18.81 19.85 7.63 17.55 19.89 5.97 20.42 -45.46 15.69 21.14 -46.68 14.13 1ldm_c01 source 1ldm M4 LACTATE DEHYDROGENASE : 4 hits 1ldm_c01 naa= 3 ULMN 3 1lij_c01 ADENOSINE KINASE user 1 3 # 1 A 316 ALA A 69 ALA~? 8.89 O2 EDO A 105 A 317 GLY A 66 GLY~? 7.08 O1 EDO A 104 A 318 ASP A 65 ASP~? 10.10 C1 EDO A 104 coo 144.15 17.54 -4.21 144.96 16.79 -5.26 21.83 -29.76 22.01 21.88 -31.27 21.77 coo 145.79 20.97 -4.38 145.13 20.72 -3.93 26.20 -32.54 22.39 26.37 -31.76 22.09 coo 141.70 22.54 -2.23 141.09 23.62 -3.92 26.58 -32.44 17.88 27.18 -32.00 15.88 ULMN 3 1lij_c01 ADENOSINE KINASE user 2 3 # 2 A 316 ALA B 69 ALA~? 3.93 C1 EDO A 104 A 317 GLY B 66 GLY~? 8.19 C1 EDO A 104 A 318 ASP B 65 ASP~? 10.18 C1 EDO A 104 coo 144.15 17.54 -4.21 144.96 16.79 -5.26 27.47 -41.30 18.33 27.70 -39.80 18.34 coo 145.79 20.97 -4.38 145.13 20.72 -3.93 29.58 -38.78 14.56 29.91 -39.54 14.52 coo 141.70 22.54 -2.23 141.09 23.62 -3.92 33.69 -38.88 16.48 35.60 -39.38 17.27 1lij_c01 source 1lij ADENOSINE KINASE : 2 hits 1lij_c01 naa= 3 ULMN 3 1lio_c01 ADENOSINE KINASE user 1 3 # 1 A 316 ALA A 69 ALA~? 8.89 O2 EDO A 105 A 317 GLY A 66 GLY~? 7.08 O1 EDO A 104 A 318 ASP A 65 ASP~? 10.10 C1 EDO A 104 coo 27.04 23.54 41.85 25.72 24.19 42.18 21.83 -29.76 22.01 21.88 -31.27 21.77 coo 27.87 23.16 38.17 28.43 22.97 38.87 26.20 -32.54 22.39 26.37 -31.76 22.09 coo 32.11 22.71 40.58 33.42 24.22 39.78 26.58 -32.44 17.88 27.18 -32.00 15.88 ULMN 3 1lio_c01 ADENOSINE KINASE user 2 3 # 2 A 316 ALA B 69 ALA~? 3.93 C1 EDO A 104 A 317 GLY B 66 GLY~? 8.19 C1 EDO A 104 A 318 ASP B 65 ASP~? 10.18 C1 EDO A 104 coo 27.04 23.54 41.85 25.72 24.19 42.18 27.47 -41.30 18.33 27.70 -39.80 18.34 coo 27.87 23.16 38.17 28.43 22.97 38.87 29.58 -38.78 14.56 29.91 -39.54 14.52 coo 32.11 22.71 40.58 33.42 24.22 39.78 33.69 -38.88 16.48 35.60 -39.38 17.27 1lio_c01 source 1lio ADENOSINE KINASE : 2 hits 1lio_c01 naa= 3 ULMN 3 1m53_c03 ISOMALTULOSE SYNTHASE user 1 3 # 1 A 241 ASP A 62 ASP^? -3.71 O1 EDO A 104s A 295 GLU A 36 GLU.? 4.60 C2 EDO A 104 A 369 ASP A 65 ASP~? 10.10 C1 EDO A 104 coo 11.74 38.14 80.19 10.63 36.40 80.65 29.38 -36.88 23.98 30.56 -38.20 22.76 coo 16.11 33.72 80.99 14.10 33.54 81.63 25.24 -36.15 22.76 23.21 -36.44 22.19 coo 12.19 31.08 87.29 11.13 32.66 86.38 26.58 -32.44 17.88 27.18 -32.00 15.88 ULMN 3 1m53_c03 ISOMALTULOSE SYNTHASE user 2 3 # 2 A 241 ASP A 62 ASP^? -3.71 O1 EDO A 104s A 295 GLU A 36 GLU.? 4.60 C2 EDO A 104 A 369 ASP B 72 ASP~? -3.91 O2 EDO A 104s coo 11.74 38.14 80.19 10.63 36.40 80.65 29.38 -36.88 23.98 30.56 -38.20 22.76 coo 16.11 33.72 80.99 14.10 33.54 81.63 25.24 -36.15 22.76 23.21 -36.44 22.19 coo 12.19 31.08 87.29 11.13 32.66 86.38 26.38 -44.91 20.83 26.53 -45.26 22.94 ULMN 3 1m53_c03 ISOMALTULOSE SYNTHASE user 3 3 # 3 A 241 ASP A 62 ASP^? -3.71 O1 EDO A 104s A 295 GLU B 36 GLU.? 4.68 C1 EDO A 104 A 369 ASP B 65 ASP~? 10.18 C1 EDO A 104 coo 11.74 38.14 80.19 10.63 36.40 80.65 29.38 -36.88 23.98 30.56 -38.20 22.76 coo 16.11 33.72 80.99 14.10 33.54 81.63 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 12.19 31.08 87.29 11.13 32.66 86.38 33.69 -38.88 16.48 35.60 -39.38 17.27 ULMN 3 1m53_c03 ISOMALTULOSE SYNTHASE user 4 3 # 4 A 241 ASP A 62 ASP^? -3.71 O1 EDO A 104s A 295 GLU B 36 GLU.? 4.68 C1 EDO A 104 A 369 ASP B 72 ASP~? -3.91 O2 EDO A 104s coo 11.74 38.14 80.19 10.63 36.40 80.65 29.38 -36.88 23.98 30.56 -38.20 22.76 coo 16.11 33.72 80.99 14.10 33.54 81.63 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 12.19 31.08 87.29 11.13 32.66 86.38 26.38 -44.91 20.83 26.53 -45.26 22.94 ULMN 3 1m53_c03 ISOMALTULOSE SYNTHASE user 5 3 # 5 A 241 ASP A 65 ASP~? 10.10 C1 EDO A 104 A 295 GLU B 36 GLU.? 4.68 C1 EDO A 104 A 369 ASP A 62 ASP^? -3.71 O1 EDO A 104s coo 11.74 38.14 80.19 10.63 36.40 80.65 26.58 -32.44 17.88 27.18 -32.00 15.88 coo 16.11 33.72 80.99 14.10 33.54 81.63 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 12.19 31.08 87.29 11.13 32.66 86.38 29.38 -36.88 23.98 30.56 -38.20 22.76 ULMN 3 1m53_c03 ISOMALTULOSE SYNTHASE user 6 3 # 6 A 241 ASP A 65 ASP~? 10.10 C1 EDO A 104 A 295 GLU B 36 GLU.? 4.68 C1 EDO A 104 A 369 ASP B 65 ASP~? 10.18 C1 EDO A 104 coo 11.74 38.14 80.19 10.63 36.40 80.65 26.58 -32.44 17.88 27.18 -32.00 15.88 coo 16.11 33.72 80.99 14.10 33.54 81.63 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 12.19 31.08 87.29 11.13 32.66 86.38 33.69 -38.88 16.48 35.60 -39.38 17.27 ULMN 3 1m53_c03 ISOMALTULOSE SYNTHASE user 7 3 # 7 A 241 ASP B 65 ASP~? 10.18 C1 EDO A 104 A 295 GLU B 36 GLU.? 4.68 C1 EDO A 104 A 369 ASP A 62 ASP^? -3.71 O1 EDO A 104s coo 11.74 38.14 80.19 10.63 36.40 80.65 33.69 -38.88 16.48 35.60 -39.38 17.27 coo 16.11 33.72 80.99 14.10 33.54 81.63 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 12.19 31.08 87.29 11.13 32.66 86.38 29.38 -36.88 23.98 30.56 -38.20 22.76 ULMN 3 1m53_c03 ISOMALTULOSE SYNTHASE user 8 3 # 8 A 241 ASP B 65 ASP~? 10.18 C1 EDO A 104 A 295 GLU B 36 GLU.? 4.68 C1 EDO A 104 A 369 ASP B 72 ASP~? -3.91 O2 EDO A 104s coo 11.74 38.14 80.19 10.63 36.40 80.65 33.69 -38.88 16.48 35.60 -39.38 17.27 coo 16.11 33.72 80.99 14.10 33.54 81.63 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 12.19 31.08 87.29 11.13 32.66 86.38 26.38 -44.91 20.83 26.53 -45.26 22.94 1m53_c03 source 1m53 ISOMALTULOSE SYNTHASE : 8 hits 1m53_c03 naa= 3 ULMN 3 1m53_c06 ISOMALTULOSE SYNTHASE user 1 3 # 1 A 241 ASP A 75 ASP~? -3.37 CL CL A 101s A 279 GLU A 21 GLU~? 11.32 C1 EDO A 106 A 369 ASP A 72 ASP~? 9.41 O1 EDO A 102 coo 11.74 38.14 80.19 10.63 36.40 80.65 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 16.54 46.37 63.94 14.77 45.79 62.95 17.89 -24.66 50.01 19.30 -26.30 49.92 coo 12.19 31.08 87.29 11.13 32.66 86.38 19.04 -26.10 21.93 20.11 -24.78 20.72 ULMN 3 1m53_c06 ISOMALTULOSE SYNTHASE user 2 3 # 2 A 241 ASP B 75 ASP~? 7.34 C2 EDO A 105 A 279 GLU B 21 GLU~? 5.95 C2 EDO B 104 A 369 ASP B 72 ASP~? -3.91 O2 EDO A 104s coo 11.74 38.14 80.19 10.63 36.40 80.65 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 16.54 46.37 63.94 14.77 45.79 62.95 2.71 -45.99 6.84 3.51 -44.02 6.67 coo 12.19 31.08 87.29 11.13 32.66 86.38 26.38 -44.91 20.83 26.53 -45.26 22.94 1m53_c06 source 1m53 ISOMALTULOSE SYNTHASE : 2 hits 1m53_c06 naa= 3 ULMN 3 1mas_c00 INOSINE-URIDINE NUCLEOSIDE N-RIBOHYDuser 1 3 # 1 A 10 ASP A 60 ASP^? 9.96 C2 EDO A 103 A 168 ASN A -5 ASN.? -7.74 O1 EDO A 104s A 241 HIS A -8 HIS.? 7.47 O1 EDO A 106 coo 2.16 -17.86 7.84 1.13 -18.57 9.58 31.34 -34.21 31.28 32.49 -33.56 32.90 coo -3.08 -15.85 14.13 -2.55 -17.63 13.08 29.90 -41.58 32.00 29.84 -42.46 30.04 coo -5.32 -25.12 14.92 -4.53 -26.21 16.52 32.32 -38.53 42.24 31.55 -37.10 40.91 ULMN 3 1mas_c00 INOSINE-URIDINE NUCLEOSIDE N-RIBOHYDuser 2 3 # 2 A 10 ASP A 62 ASP^? -3.71 O1 EDO A 104s A 168 ASN A 39 ASN^? 10.59 C2 EDO A 103 A 241 HIS A 5 HIS^? 3.66 C2 EDO A 102s coo 2.16 -17.86 7.84 1.13 -18.57 9.58 29.38 -36.88 23.98 30.56 -38.20 22.76 coo -3.08 -15.85 14.13 -2.55 -17.63 13.08 29.70 -36.24 34.29 30.64 -37.97 33.66 coo -5.32 -25.12 14.92 -4.53 -26.21 16.52 29.39 -25.70 30.68 28.57 -23.87 31.25 1mas_c00 source 1mas INOSINE-URIDINE NUCLEOSIDE N-RIBOHYDROLASE : 2 hits 1mas_c00 naa= 3 ULMN 3 1mas_c01 INOSINE-URIDINE NUCLEOSIDE N-RIBOHYDuser 1 3 # 1 B 10 ASP A 60 ASP^? 9.96 C2 EDO A 103 B 168 ASN A -5 ASN.? -7.74 O1 EDO A 104s B 241 HIS A -8 HIS.? 7.47 O1 EDO A 106 coo -17.05 -4.58 51.44 -17.53 -6.08 49.99 31.34 -34.21 31.28 32.49 -33.56 32.90 coo -13.80 -8.69 44.98 -15.38 -8.70 46.39 29.90 -41.58 32.00 29.84 -42.46 30.04 coo -21.48 -14.16 44.54 -22.74 -13.73 42.93 32.32 -38.53 42.24 31.55 -37.10 40.91 1mas_c01 source 1mas INOSINE-URIDINE NUCLEOSIDE N-RIBOHYDROLASE : 1 hits 1mas_c01 naa= 3 ULMN 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 1 3 # 1 A 465 GLY B 63 GLY~? 12.65 C1 EDO B 105 A 501 ASP A 72 ASP~? 9.41 O1 EDO A 102 B 367 TYR B 53 TYR.? 14.89 OXT ACT B 102 coo 4.40 25.46 -23.33 5.00 25.87 -23.68 33.32 -38.00 11.08 32.56 -38.25 11.10 coo 13.82 6.17 -29.83 11.78 5.87 -29.33 19.04 -26.10 21.93 20.11 -24.78 20.72 coo 27.05 35.80 -12.24 28.72 34.05 -10.85 17.12 -55.21 -0.25 18.76 -57.47 0.21 1mro_c00 source 1mro METHYL-COENZYME M REDUCTASE : 1 hits 1mro_c00 naa= 3 ULMN 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 1 3 # 1 D 465 GLY B 63 GLY~? 12.65 C1 EDO B 105 D 501 ASP A 72 ASP~? 9.41 O1 EDO A 102 E 367 TYR B 53 TYR.? 14.89 OXT ACT B 102 coo 21.60 60.44 -42.77 21.61 59.72 -42.40 33.32 -38.00 11.08 32.56 -38.25 11.10 coo 42.23 65.30 -35.49 41.21 67.05 -36.13 19.04 -26.10 21.93 20.11 -24.78 20.72 coo 28.27 36.08 -52.91 30.75 35.88 -54.18 17.12 -55.21 -0.25 18.76 -57.47 0.21 1mro_c01 source 1mro METHYL-COENZYME M REDUCTASE : 1 hits 1mro_c01 naa= 3 ULMN 3 1n2t_c02 L-CYSTEINE-CYSTINE LYASE C-DES user 1 3 # 1 A 114 HIS A 5 HIS^? 3.66 C2 EDO A 102s A 197 ASP A 60 ASP^? 9.96 C2 EDO A 103 A 223 ALA A 32 ALA.? -5.14 O2 EDO A 103s coo -61.68 -8.94 -28.01 -61.87 -7.73 -26.31 29.39 -25.70 30.68 28.57 -23.87 31.25 coo -57.09 -14.53 -30.28 -57.60 -13.32 -28.61 31.34 -34.21 31.28 32.49 -33.56 32.90 coo -56.49 -13.76 -16.93 -57.17 -13.93 -18.30 18.89 -31.60 30.32 19.49 -30.34 29.72 ULMN 3 1n2t_c02 L-CYSTEINE-CYSTINE LYASE C-DES user 2 3 # 2 A 114 HIS A 5 HIS^? 3.66 C2 EDO A 102s A 197 ASP A 60 ASP^? 9.96 C2 EDO A 103 A 223 ALA A 33 ALA.? 3.70 CL CL A 101s coo -61.68 -8.94 -28.01 -61.87 -7.73 -26.31 29.39 -25.70 30.68 28.57 -23.87 31.25 coo -57.09 -14.53 -30.28 -57.60 -13.32 -28.61 31.34 -34.21 31.28 32.49 -33.56 32.90 coo -56.49 -13.76 -16.93 -57.17 -13.93 -18.30 19.95 -35.27 30.54 19.58 -36.13 31.70 ULMN 3 1n2t_c02 L-CYSTEINE-CYSTINE LYASE C-DES user 3 3 # 3 A 114 HIS A 5 HIS^? 3.66 C2 EDO A 102s A 197 ASP A 60 ASP^? 9.96 C2 EDO A 103 A 223 ALA A 69 ALA~? 8.89 O2 EDO A 105 coo -61.68 -8.94 -28.01 -61.87 -7.73 -26.31 29.39 -25.70 30.68 28.57 -23.87 31.25 coo -57.09 -14.53 -30.28 -57.60 -13.32 -28.61 31.34 -34.21 31.28 32.49 -33.56 32.90 coo -56.49 -13.76 -16.93 -57.17 -13.93 -18.30 21.83 -29.76 22.01 21.88 -31.27 21.77 ULMN 3 1n2t_c02 L-CYSTEINE-CYSTINE LYASE C-DES user 4 3 # 4 A 114 HIS A 73 HIS~? -4.02 O2 EDO A 105s A 197 ASP A 72 ASP~? 9.41 O1 EDO A 102 A 223 ALA A 59 ALA^? 4.61 O2 EDO A 103 coo -61.68 -8.94 -28.01 -61.87 -7.73 -26.31 17.06 -30.49 26.75 15.82 -32.02 27.49 coo -57.09 -14.53 -30.28 -57.60 -13.32 -28.61 19.04 -26.10 21.93 20.11 -24.78 20.72 coo -56.49 -13.76 -16.93 -57.17 -13.93 -18.30 28.61 -30.57 32.81 27.41 -29.88 32.12 ULMN 3 1n2t_c02 L-CYSTEINE-CYSTINE LYASE C-DES user 5 3 # 5 A 114 HIS A 73 HIS~? -4.02 O2 EDO A 105s A 197 ASP A 72 ASP~? 9.41 O1 EDO A 102 A 223 ALA A 81 ALA~? 9.38 C4 NBZ A 112 coo -61.68 -8.94 -28.01 -61.87 -7.73 -26.31 17.06 -30.49 26.75 15.82 -32.02 27.49 coo -57.09 -14.53 -30.28 -57.60 -13.32 -28.61 19.04 -26.10 21.93 20.11 -24.78 20.72 coo -56.49 -13.76 -16.93 -57.17 -13.93 -18.30 15.71 -18.57 33.45 14.32 -19.03 32.89 ULMN 3 1n2t_c02 L-CYSTEINE-CYSTINE LYASE C-DES user 6 3 # 6 A 114 HIS A 76 HIS~? 3.91 O2 EDO A 102s A 197 ASP A 75 ASP~? -3.37 CL CL A 101s A 223 ALA A 41 ALA^? -3.72 O1 EDO A 106s coo -61.68 -8.94 -28.01 -61.87 -7.73 -26.31 20.68 -25.44 29.29 22.44 -24.37 29.64 coo -57.09 -14.53 -30.28 -57.60 -13.32 -28.61 16.12 -29.42 31.11 14.94 -31.11 31.50 coo -56.49 -13.76 -16.93 -57.17 -13.93 -18.30 28.06 -31.82 39.37 29.51 -32.24 39.77 ULMN 3 1n2t_c02 L-CYSTEINE-CYSTINE LYASE C-DES user 7 3 # 7 A 114 HIS A 76 HIS~? 3.91 O2 EDO A 102s A 197 ASP A 75 ASP~? -3.37 CL CL A 101s A 223 ALA A 84 ALA~? 8.60 O1 NBZ A 112 coo -61.68 -8.94 -28.01 -61.87 -7.73 -26.31 20.68 -25.44 29.29 22.44 -24.37 29.64 coo -57.09 -14.53 -30.28 -57.60 -13.32 -28.61 16.12 -29.42 31.11 14.94 -31.11 31.50 coo -56.49 -13.76 -16.93 -57.17 -13.93 -18.30 19.43 -15.24 35.49 18.78 -15.05 34.12 ULMN 3 1n2t_c02 L-CYSTEINE-CYSTINE LYASE C-DES user 8 3 # 8 A 114 HIS B 5 HIS^? 5.90 OXT ACT B 102 A 197 ASP B 60 ASP^? 5.67 C1 EDO B 105 A 223 ALA B 69 ALA~? 3.93 C1 EDO A 104 coo -61.68 -8.94 -28.01 -61.87 -7.73 -26.31 24.56 -45.54 8.01 23.59 -47.34 8.47 coo -57.09 -14.53 -30.28 -57.60 -13.32 -28.61 24.76 -37.09 5.99 24.21 -37.69 4.07 coo -56.49 -13.76 -16.93 -57.17 -13.93 -18.30 27.47 -41.30 18.33 27.70 -39.80 18.34 ULMN 3 1n2t_c02 L-CYSTEINE-CYSTINE LYASE C-DES user 9 3 # 9 A 114 HIS B 73 HIS~? 5.11 C2 EDO A 104 A 197 ASP B 72 ASP~? -3.91 O2 EDO A 104s A 223 ALA A 33 ALA.? 3.70 CL CL A 101s coo -61.68 -8.94 -28.01 -61.87 -7.73 -26.31 21.13 -40.83 20.13 19.87 -39.36 20.93 coo -57.09 -14.53 -30.28 -57.60 -13.32 -28.61 26.38 -44.91 20.83 26.53 -45.26 22.94 coo -56.49 -13.76 -16.93 -57.17 -13.93 -18.30 19.95 -35.27 30.54 19.58 -36.13 31.70 ULMN 3 1n2t_c02 L-CYSTEINE-CYSTINE LYASE C-DES user 10 3 # 10 A 114 HIS B 73 HIS~? 5.11 C2 EDO A 104 A 197 ASP B 72 ASP~? -3.91 O2 EDO A 104s A 223 ALA B 59 ALA^? 5.57 O ACT B 102 coo -61.68 -8.94 -28.01 -61.87 -7.73 -26.31 21.13 -40.83 20.13 19.87 -39.36 20.93 coo -57.09 -14.53 -30.28 -57.60 -13.32 -28.61 26.38 -44.91 20.83 26.53 -45.26 22.94 coo -56.49 -13.76 -16.93 -57.17 -13.93 -18.30 22.18 -40.83 7.36 22.16 -41.54 8.73 ULMN 3 1n2t_c02 L-CYSTEINE-CYSTINE LYASE C-DES user 11 3 # 11 A 114 HIS B 73 HIS~? 5.11 C2 EDO A 104 A 197 ASP B 72 ASP~? -3.91 O2 EDO A 104s A 223 ALA B 81 ALA~? 10.03 CH3 ACT B 102 coo -61.68 -8.94 -28.01 -61.87 -7.73 -26.31 21.13 -40.83 20.13 19.87 -39.36 20.93 coo -57.09 -14.53 -30.28 -57.60 -13.32 -28.61 26.38 -44.91 20.83 26.53 -45.26 22.94 coo -56.49 -13.76 -16.93 -57.17 -13.93 -18.30 14.49 -52.51 18.03 14.38 -52.17 19.55 ULMN 3 1n2t_c02 L-CYSTEINE-CYSTINE LYASE C-DES user 12 3 # 12 A 114 HIS B 76 HIS~? -3.94 OXT ACT B 102s A 197 ASP B 75 ASP~? 7.34 C2 EDO A 105 A 223 ALA B 84 ALA~? 10.43 CH3 ACT B 102 coo -61.68 -8.94 -28.01 -61.87 -7.73 -26.31 20.42 -45.46 15.69 21.14 -46.68 14.13 coo -57.09 -14.53 -30.28 -57.60 -13.32 -28.61 16.30 -41.75 19.83 15.36 -40.72 21.44 coo -56.49 -13.76 -16.93 -57.17 -13.93 -18.30 14.83 -55.91 13.99 15.49 -56.07 15.37 1n2t_c02 source 1n2t L-CYSTEINE-CYSTINE LYASE C-DES : 12 hits 1n2t_c02 naa= 3 ULMN 3 1n2t_c03 L-CYSTEINE-CYSTINE LYASE C-DES user 1 3 # 1 B 114 HIS A 5 HIS^? 3.66 C2 EDO A 102s B 197 ASP A 60 ASP^? 9.96 C2 EDO A 103 B 223 ALA A 32 ALA.? -5.14 O2 EDO A 103s coo -32.24 6.73 -26.90 -32.01 5.24 -25.44 29.39 -25.70 30.68 28.57 -23.87 31.25 coo -36.83 12.62 -28.19 -36.31 11.10 -26.78 31.34 -34.21 31.28 32.49 -33.56 32.90 coo -37.23 9.70 -15.15 -36.60 10.10 -16.48 18.89 -31.60 30.32 19.49 -30.34 29.72 ULMN 3 1n2t_c03 L-CYSTEINE-CYSTINE LYASE C-DES user 2 3 # 2 B 114 HIS A 5 HIS^? 3.66 C2 EDO A 102s B 197 ASP A 60 ASP^? 9.96 C2 EDO A 103 B 223 ALA A 33 ALA.? 3.70 CL CL A 101s coo -32.24 6.73 -26.90 -32.01 5.24 -25.44 29.39 -25.70 30.68 28.57 -23.87 31.25 coo -36.83 12.62 -28.19 -36.31 11.10 -26.78 31.34 -34.21 31.28 32.49 -33.56 32.90 coo -37.23 9.70 -15.15 -36.60 10.10 -16.48 19.95 -35.27 30.54 19.58 -36.13 31.70 ULMN 3 1n2t_c03 L-CYSTEINE-CYSTINE LYASE C-DES user 3 3 # 3 B 114 HIS A 5 HIS^? 3.66 C2 EDO A 102s B 197 ASP A 60 ASP^? 9.96 C2 EDO A 103 B 223 ALA A 69 ALA~? 8.89 O2 EDO A 105 coo -32.24 6.73 -26.90 -32.01 5.24 -25.44 29.39 -25.70 30.68 28.57 -23.87 31.25 coo -36.83 12.62 -28.19 -36.31 11.10 -26.78 31.34 -34.21 31.28 32.49 -33.56 32.90 coo -37.23 9.70 -15.15 -36.60 10.10 -16.48 21.83 -29.76 22.01 21.88 -31.27 21.77 ULMN 3 1n2t_c03 L-CYSTEINE-CYSTINE LYASE C-DES user 4 3 # 4 B 114 HIS A 73 HIS~? -4.02 O2 EDO A 105s B 197 ASP A 72 ASP~? 9.41 O1 EDO A 102 B 223 ALA A 59 ALA^? 4.61 O2 EDO A 103 coo -32.24 6.73 -26.90 -32.01 5.24 -25.44 17.06 -30.49 26.75 15.82 -32.02 27.49 coo -36.83 12.62 -28.19 -36.31 11.10 -26.78 19.04 -26.10 21.93 20.11 -24.78 20.72 coo -37.23 9.70 -15.15 -36.60 10.10 -16.48 28.61 -30.57 32.81 27.41 -29.88 32.12 ULMN 3 1n2t_c03 L-CYSTEINE-CYSTINE LYASE C-DES user 5 3 # 5 B 114 HIS A 73 HIS~? -4.02 O2 EDO A 105s B 197 ASP A 72 ASP~? 9.41 O1 EDO A 102 B 223 ALA A 81 ALA~? 9.38 C4 NBZ A 112 coo -32.24 6.73 -26.90 -32.01 5.24 -25.44 17.06 -30.49 26.75 15.82 -32.02 27.49 coo -36.83 12.62 -28.19 -36.31 11.10 -26.78 19.04 -26.10 21.93 20.11 -24.78 20.72 coo -37.23 9.70 -15.15 -36.60 10.10 -16.48 15.71 -18.57 33.45 14.32 -19.03 32.89 ULMN 3 1n2t_c03 L-CYSTEINE-CYSTINE LYASE C-DES user 6 3 # 6 B 114 HIS A 76 HIS~? 3.91 O2 EDO A 102s B 197 ASP A 75 ASP~? -3.37 CL CL A 101s B 223 ALA A 41 ALA^? -3.72 O1 EDO A 106s coo -32.24 6.73 -26.90 -32.01 5.24 -25.44 20.68 -25.44 29.29 22.44 -24.37 29.64 coo -36.83 12.62 -28.19 -36.31 11.10 -26.78 16.12 -29.42 31.11 14.94 -31.11 31.50 coo -37.23 9.70 -15.15 -36.60 10.10 -16.48 28.06 -31.82 39.37 29.51 -32.24 39.77 ULMN 3 1n2t_c03 L-CYSTEINE-CYSTINE LYASE C-DES user 7 3 # 7 B 114 HIS A 76 HIS~? 3.91 O2 EDO A 102s B 197 ASP A 75 ASP~? -3.37 CL CL A 101s B 223 ALA A 84 ALA~? 8.60 O1 NBZ A 112 coo -32.24 6.73 -26.90 -32.01 5.24 -25.44 20.68 -25.44 29.29 22.44 -24.37 29.64 coo -36.83 12.62 -28.19 -36.31 11.10 -26.78 16.12 -29.42 31.11 14.94 -31.11 31.50 coo -37.23 9.70 -15.15 -36.60 10.10 -16.48 19.43 -15.24 35.49 18.78 -15.05 34.12 ULMN 3 1n2t_c03 L-CYSTEINE-CYSTINE LYASE C-DES user 8 3 # 8 B 114 HIS B 5 HIS^? 5.90 OXT ACT B 102 B 197 ASP B 60 ASP^? 5.67 C1 EDO B 105 B 223 ALA B 69 ALA~? 3.93 C1 EDO A 104 coo -32.24 6.73 -26.90 -32.01 5.24 -25.44 24.56 -45.54 8.01 23.59 -47.34 8.47 coo -36.83 12.62 -28.19 -36.31 11.10 -26.78 24.76 -37.09 5.99 24.21 -37.69 4.07 coo -37.23 9.70 -15.15 -36.60 10.10 -16.48 27.47 -41.30 18.33 27.70 -39.80 18.34 ULMN 3 1n2t_c03 L-CYSTEINE-CYSTINE LYASE C-DES user 9 3 # 9 B 114 HIS B 73 HIS~? 5.11 C2 EDO A 104 B 197 ASP B 72 ASP~? -3.91 O2 EDO A 104s B 223 ALA A 33 ALA.? 3.70 CL CL A 101s coo -32.24 6.73 -26.90 -32.01 5.24 -25.44 21.13 -40.83 20.13 19.87 -39.36 20.93 coo -36.83 12.62 -28.19 -36.31 11.10 -26.78 26.38 -44.91 20.83 26.53 -45.26 22.94 coo -37.23 9.70 -15.15 -36.60 10.10 -16.48 19.95 -35.27 30.54 19.58 -36.13 31.70 ULMN 3 1n2t_c03 L-CYSTEINE-CYSTINE LYASE C-DES user 10 3 # 10 B 114 HIS B 73 HIS~? 5.11 C2 EDO A 104 B 197 ASP B 72 ASP~? -3.91 O2 EDO A 104s B 223 ALA B 59 ALA^? 5.57 O ACT B 102 coo -32.24 6.73 -26.90 -32.01 5.24 -25.44 21.13 -40.83 20.13 19.87 -39.36 20.93 coo -36.83 12.62 -28.19 -36.31 11.10 -26.78 26.38 -44.91 20.83 26.53 -45.26 22.94 coo -37.23 9.70 -15.15 -36.60 10.10 -16.48 22.18 -40.83 7.36 22.16 -41.54 8.73 ULMN 3 1n2t_c03 L-CYSTEINE-CYSTINE LYASE C-DES user 11 3 # 11 B 114 HIS B 73 HIS~? 5.11 C2 EDO A 104 B 197 ASP B 72 ASP~? -3.91 O2 EDO A 104s B 223 ALA B 81 ALA~? 10.03 CH3 ACT B 102 coo -32.24 6.73 -26.90 -32.01 5.24 -25.44 21.13 -40.83 20.13 19.87 -39.36 20.93 coo -36.83 12.62 -28.19 -36.31 11.10 -26.78 26.38 -44.91 20.83 26.53 -45.26 22.94 coo -37.23 9.70 -15.15 -36.60 10.10 -16.48 14.49 -52.51 18.03 14.38 -52.17 19.55 ULMN 3 1n2t_c03 L-CYSTEINE-CYSTINE LYASE C-DES user 12 3 # 12 B 114 HIS B 76 HIS~? -3.94 OXT ACT B 102s B 197 ASP B 75 ASP~? 7.34 C2 EDO A 105 B 223 ALA B 84 ALA~? 10.43 CH3 ACT B 102 coo -32.24 6.73 -26.90 -32.01 5.24 -25.44 20.42 -45.46 15.69 21.14 -46.68 14.13 coo -36.83 12.62 -28.19 -36.31 11.10 -26.78 16.30 -41.75 19.83 15.36 -40.72 21.44 coo -37.23 9.70 -15.15 -36.60 10.10 -16.48 14.83 -55.91 13.99 15.49 -56.07 15.37 1n2t_c03 source 1n2t L-CYSTEINE-CYSTINE LYASE C-DES : 12 hits 1n2t_c03 naa= 3 ULMN 3 1ndo_c00 NAPTHALENE 1,2-DIOXYGENASE user 1 3 # 1 A 205 ASP A 75 ASP~? -3.37 CL CL A 101s A 208 HIS A 73 HIS~? -4.02 O2 EDO A 105s C 104 HIS A 76 HIS~? 3.91 O2 EDO A 102s coo 20.72 31.33 73.27 20.15 33.36 73.56 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 17.00 33.82 71.84 16.59 31.98 70.88 17.06 -30.49 26.75 15.82 -32.02 27.49 coo 20.06 38.06 74.21 21.19 36.81 72.96 20.68 -25.44 29.29 22.44 -24.37 29.64 ULMN 3 1ndo_c00 NAPTHALENE 1,2-DIOXYGENASE user 2 3 # 2 A 205 ASP B 72 ASP~? -3.91 O2 EDO A 104s A 208 HIS B 73 HIS~? 5.11 C2 EDO A 104 C 104 HIS B 76 HIS~? -3.94 OXT ACT B 102s coo 20.72 31.33 73.27 20.15 33.36 73.56 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 17.00 33.82 71.84 16.59 31.98 70.88 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 20.06 38.06 74.21 21.19 36.81 72.96 20.42 -45.46 15.69 21.14 -46.68 14.13 ULMN 3 1ndo_c00 NAPTHALENE 1,2-DIOXYGENASE user 3 3 # 3 A 205 ASP B 75 ASP~? 7.34 C2 EDO A 105 A 208 HIS B 73 HIS~? 5.11 C2 EDO A 104 C 104 HIS B 76 HIS~? -3.94 OXT ACT B 102s coo 20.72 31.33 73.27 20.15 33.36 73.56 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 17.00 33.82 71.84 16.59 31.98 70.88 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 20.06 38.06 74.21 21.19 36.81 72.96 20.42 -45.46 15.69 21.14 -46.68 14.13 1ndo_c00 source 1ndo NAPTHALENE 1,2-DIOXYGENASE : 3 hits 1ndo_c00 naa= 3 ULMN 3 1ndo_c01 NAPTHALENE 1,2-DIOXYGENASE user 1 3 # 1 A 104 HIS A 76 HIS~? 3.91 O2 EDO A 102s E 205 ASP A 75 ASP~? -3.37 CL CL A 101s E 208 HIS A 73 HIS~? -4.02 O2 EDO A 105s coo 36.32 11.24 30.83 37.00 13.22 30.81 20.68 -25.44 29.29 22.44 -24.37 29.64 coo 38.79 15.70 26.44 37.66 14.35 27.62 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 34.24 14.63 26.81 34.14 16.25 25.49 17.06 -30.49 26.75 15.82 -32.02 27.49 ULMN 3 1ndo_c01 NAPTHALENE 1,2-DIOXYGENASE user 2 3 # 2 A 104 HIS B 76 HIS~? -3.94 OXT ACT B 102s E 205 ASP B 72 ASP~? -3.91 O2 EDO A 104s E 208 HIS B 73 HIS~? 5.11 C2 EDO A 104 coo 36.32 11.24 30.83 37.00 13.22 30.81 20.42 -45.46 15.69 21.14 -46.68 14.13 coo 38.79 15.70 26.44 37.66 14.35 27.62 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 34.24 14.63 26.81 34.14 16.25 25.49 21.13 -40.83 20.13 19.87 -39.36 20.93 ULMN 3 1ndo_c01 NAPTHALENE 1,2-DIOXYGENASE user 3 3 # 3 A 104 HIS B 76 HIS~? -3.94 OXT ACT B 102s E 205 ASP B 75 ASP~? 7.34 C2 EDO A 105 E 208 HIS B 73 HIS~? 5.11 C2 EDO A 104 coo 36.32 11.24 30.83 37.00 13.22 30.81 20.42 -45.46 15.69 21.14 -46.68 14.13 coo 38.79 15.70 26.44 37.66 14.35 27.62 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 34.24 14.63 26.81 34.14 16.25 25.49 21.13 -40.83 20.13 19.87 -39.36 20.93 1ndo_c01 source 1ndo NAPTHALENE 1,2-DIOXYGENASE : 3 hits 1ndo_c01 naa= 3 ULMN 3 1ndo_c02 NAPTHALENE 1,2-DIOXYGENASE user 1 3 # 1 C 205 ASP A 75 ASP~? -3.37 CL CL A 101s C 208 HIS A 73 HIS~? -4.02 O2 EDO A 105s E 104 HIS A 76 HIS~? 3.91 O2 EDO A 102s coo 36.50 67.03 37.59 36.77 66.38 35.61 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 33.45 66.12 34.16 32.13 66.40 35.76 17.06 -30.49 26.75 15.82 -32.02 27.49 coo 38.29 64.94 31.33 38.08 64.16 33.27 20.68 -25.44 29.29 22.44 -24.37 29.64 ULMN 3 1ndo_c02 NAPTHALENE 1,2-DIOXYGENASE user 2 3 # 2 C 205 ASP B 72 ASP~? -3.91 O2 EDO A 104s C 208 HIS B 73 HIS~? 5.11 C2 EDO A 104 E 104 HIS B 76 HIS~? -3.94 OXT ACT B 102s coo 36.50 67.03 37.59 36.77 66.38 35.61 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 33.45 66.12 34.16 32.13 66.40 35.76 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 38.29 64.94 31.33 38.08 64.16 33.27 20.42 -45.46 15.69 21.14 -46.68 14.13 ULMN 3 1ndo_c02 NAPTHALENE 1,2-DIOXYGENASE user 3 3 # 3 C 205 ASP B 75 ASP~? 7.34 C2 EDO A 105 C 208 HIS B 73 HIS~? 5.11 C2 EDO A 104 E 104 HIS B 76 HIS~? -3.94 OXT ACT B 102s coo 36.50 67.03 37.59 36.77 66.38 35.61 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 33.45 66.12 34.16 32.13 66.40 35.76 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 38.29 64.94 31.33 38.08 64.16 33.27 20.42 -45.46 15.69 21.14 -46.68 14.13 1ndo_c02 source 1ndo NAPTHALENE 1,2-DIOXYGENASE : 3 hits 1ndo_c02 naa= 3 ULMN 3 1ni4_c00 PYRUVATE DEHYDROGENASE E1 COMPONENT:user 1 3 # 1 B 59 GLU A 36 GLU.? 4.60 C2 EDO A 104 B 128 HIS A 73 HIS~? -4.02 O2 EDO A 105s C 263 HIS A 5 HIS^? 3.66 C2 EDO A 102s coo 6.12 5.94 82.00 7.16 6.32 83.81 25.24 -36.15 22.76 23.21 -36.44 22.19 coo 12.51 16.35 80.99 13.16 14.90 82.37 17.06 -30.49 26.75 15.82 -32.02 27.49 coo 11.58 14.94 93.26 12.25 14.03 91.50 29.39 -25.70 30.68 28.57 -23.87 31.25 ULMN 3 1ni4_c00 PYRUVATE DEHYDROGENASE E1 COMPONENT:user 2 3 # 2 B 59 GLU A 64 GLU~? 12.93 C1 EDO A 102 B 128 HIS A 5 HIS^? 3.66 C2 EDO A 102s C 263 HIS A 73 HIS~? -4.02 O2 EDO A 105s coo 6.12 5.94 82.00 7.16 6.32 83.81 32.22 -28.58 19.32 33.17 -27.36 17.86 coo 12.51 16.35 80.99 13.16 14.90 82.37 29.39 -25.70 30.68 28.57 -23.87 31.25 coo 11.58 14.94 93.26 12.25 14.03 91.50 17.06 -30.49 26.75 15.82 -32.02 27.49 ULMN 3 1ni4_c00 PYRUVATE DEHYDROGENASE E1 COMPONENT:user 3 3 # 3 B 59 GLU B 64 GLU~? 15.64 C1 EDO A 104 B 128 HIS B 5 HIS^? 5.90 OXT ACT B 102 C 263 HIS B 73 HIS~? 5.11 C2 EDO A 104 coo 6.12 5.94 82.00 7.16 6.32 83.81 35.47 -42.81 11.09 36.89 -44.38 11.18 coo 12.51 16.35 80.99 13.16 14.90 82.37 24.56 -45.54 8.01 23.59 -47.34 8.47 coo 11.58 14.94 93.26 12.25 14.03 91.50 21.13 -40.83 20.13 19.87 -39.36 20.93 1ni4_c00 source 1ni4 PYRUVATE DEHYDROGENASE E1 COMPONENT: ALPHA SUB: 3 hits 1ni4_c00 naa= 3 ULMN 3 1ni4_c01 PYRUVATE DEHYDROGENASE E1 COMPONENT:user 1 3 # 1 A 263 HIS A 5 HIS^? 3.66 C2 EDO A 102s D 59 GLU A 36 GLU.? 4.60 C2 EDO A 104 D 128 HIS A 73 HIS~? -4.02 O2 EDO A 105s coo 8.65 -19.64 67.59 7.76 -17.92 68.39 29.39 -25.70 30.68 28.57 -23.87 31.25 coo 12.72 -5.58 71.72 12.08 -7.54 72.22 25.24 -36.15 22.76 23.21 -36.44 22.19 coo 4.03 -8.95 63.85 3.80 -9.89 65.71 17.06 -30.49 26.75 15.82 -32.02 27.49 ULMN 3 1ni4_c01 PYRUVATE DEHYDROGENASE E1 COMPONENT:user 2 3 # 2 A 263 HIS A 73 HIS~? -4.02 O2 EDO A 105s D 59 GLU A 64 GLU~? 12.93 C1 EDO A 102 D 128 HIS A 5 HIS^? 3.66 C2 EDO A 102s coo 8.65 -19.64 67.59 7.76 -17.92 68.39 17.06 -30.49 26.75 15.82 -32.02 27.49 coo 12.72 -5.58 71.72 12.08 -7.54 72.22 32.22 -28.58 19.32 33.17 -27.36 17.86 coo 4.03 -8.95 63.85 3.80 -9.89 65.71 29.39 -25.70 30.68 28.57 -23.87 31.25 ULMN 3 1ni4_c01 PYRUVATE DEHYDROGENASE E1 COMPONENT:user 3 3 # 3 A 263 HIS B 73 HIS~? 5.11 C2 EDO A 104 D 59 GLU B 64 GLU~? 15.64 C1 EDO A 104 D 128 HIS B 5 HIS^? 5.90 OXT ACT B 102 coo 8.65 -19.64 67.59 7.76 -17.92 68.39 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 12.72 -5.58 71.72 12.08 -7.54 72.22 35.47 -42.81 11.09 36.89 -44.38 11.18 coo 4.03 -8.95 63.85 3.80 -9.89 65.71 24.56 -45.54 8.01 23.59 -47.34 8.47 1ni4_c01 source 1ni4 PYRUVATE DEHYDROGENASE E1 COMPONENT: ALPHA SUB: 3 hits 1ni4_c01 naa= 3 ULMN 3 1nu3_c00 LIMONENE-1,2-EPOXIDE HYDROLASE user 1 3 # 1 A 99 ARG A 10 ARG^? -4.66 C1 EDO A 110s A 101 ASP A 89 ASP^? -2.90 O1 EDO A 107s A 132 ASP A 54 ASP.? 2.78 C2 EDO A 108s coo 11.61 22.83 17.30 14.06 21.71 15.78 30.66 -12.08 43.31 30.96 -9.43 41.69 coo 11.37 24.94 11.48 12.48 24.45 13.28 29.57 -11.85 38.15 30.81 -11.99 36.52 coo 16.14 18.17 13.37 15.92 19.81 14.71 27.81 -17.65 45.48 28.28 -15.77 46.28 ULMN 3 1nu3_c00 LIMONENE-1,2-EPOXIDE HYDROLASE user 2 3 # 2 A 99 ARG A 77 ARG~? 12.24 O2 EDO A 105 A 101 ASP A 72 ASP~? 9.41 O1 EDO A 102 A 132 ASP A 75 ASP~? -3.37 CL CL A 101s coo 11.61 22.83 17.30 14.06 21.71 15.78 15.52 -22.75 25.33 12.48 -23.17 25.81 coo 11.37 24.94 11.48 12.48 24.45 13.28 19.04 -26.10 21.93 20.11 -24.78 20.72 coo 16.14 18.17 13.37 15.92 19.81 14.71 16.12 -29.42 31.11 14.94 -31.11 31.50 ULMN 3 1nu3_c00 LIMONENE-1,2-EPOXIDE HYDROLASE user 3 3 # 3 A 99 ARG B 10 ARG^? 18.61 OXT ACT B 102 A 101 ASP B 89 ASP^? 14.56 OXT ACT B 102 A 132 ASP B 54 ASP.? 14.05 O2 EDO B 104 coo 11.61 22.83 17.30 14.06 21.71 15.78 14.67 -59.33 0.36 16.35 -61.87 0.73 coo 11.37 24.94 11.48 12.48 24.45 13.28 18.24 -59.30 3.92 20.30 -59.15 3.66 coo 16.14 18.17 13.37 15.92 19.81 14.71 11.31 -53.68 1.37 10.81 -55.59 0.54 ULMN 3 1nu3_c00 LIMONENE-1,2-EPOXIDE HYDROLASE user 4 3 # 4 A 99 ARG B 68 ARG~? 13.19 C1 EDO A 104 A 101 ASP B 65 ASP~? 10.18 C1 EDO A 104 A 132 ASP B 72 ASP~? -3.91 O2 EDO A 104s coo 11.61 22.83 17.30 14.06 21.71 15.78 31.65 -46.03 15.78 32.85 -48.29 14.05 coo 11.37 24.94 11.48 12.48 24.45 13.28 33.69 -38.88 16.48 35.60 -39.38 17.27 coo 16.14 18.17 13.37 15.92 19.81 14.71 26.38 -44.91 20.83 26.53 -45.26 22.94 ULMN 3 1nu3_c00 LIMONENE-1,2-EPOXIDE HYDROLASE user 5 3 # 5 A 99 ARG B 68 ARG~? 13.19 C1 EDO A 104 A 101 ASP B 72 ASP~? -3.91 O2 EDO A 104s A 132 ASP B 65 ASP~? 10.18 C1 EDO A 104 coo 11.61 22.83 17.30 14.06 21.71 15.78 31.65 -46.03 15.78 32.85 -48.29 14.05 coo 11.37 24.94 11.48 12.48 24.45 13.28 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 16.14 18.17 13.37 15.92 19.81 14.71 33.69 -38.88 16.48 35.60 -39.38 17.27 1nu3_c00 source 1nu3 LIMONENE-1,2-EPOXIDE HYDROLASE : 5 hits 1nu3_c00 naa= 3 ULMN 3 1nu3_c01 LIMONENE-1,2-EPOXIDE HYDROLASE user 1 3 # 1 B 99 ARG A 10 ARG^? -4.66 C1 EDO A 110s B 101 ASP A 89 ASP^? -2.90 O1 EDO A 107s B 132 ASP A 54 ASP.? 2.78 C2 EDO A 108s coo 11.61 3.43 18.38 9.11 4.29 16.86 30.66 -12.08 43.31 30.96 -9.43 41.69 coo 11.74 0.51 12.98 10.75 1.32 14.67 29.57 -11.85 38.15 30.81 -11.99 36.52 coo 6.93 7.52 14.08 7.18 6.08 15.65 27.81 -17.65 45.48 28.28 -15.77 46.28 ULMN 3 1nu3_c01 LIMONENE-1,2-EPOXIDE HYDROLASE user 2 3 # 2 B 99 ARG A 77 ARG~? 12.24 O2 EDO A 105 B 101 ASP A 72 ASP~? 9.41 O1 EDO A 102 B 132 ASP A 75 ASP~? -3.37 CL CL A 101s coo 11.61 3.43 18.38 9.11 4.29 16.86 15.52 -22.75 25.33 12.48 -23.17 25.81 coo 11.74 0.51 12.98 10.75 1.32 14.67 19.04 -26.10 21.93 20.11 -24.78 20.72 coo 6.93 7.52 14.08 7.18 6.08 15.65 16.12 -29.42 31.11 14.94 -31.11 31.50 ULMN 3 1nu3_c01 LIMONENE-1,2-EPOXIDE HYDROLASE user 3 3 # 3 B 99 ARG B 10 ARG^? 18.61 OXT ACT B 102 B 101 ASP B 89 ASP^? 14.56 OXT ACT B 102 B 132 ASP B 54 ASP.? 14.05 O2 EDO B 104 coo 11.61 3.43 18.38 9.11 4.29 16.86 14.67 -59.33 0.36 16.35 -61.87 0.73 coo 11.74 0.51 12.98 10.75 1.32 14.67 18.24 -59.30 3.92 20.30 -59.15 3.66 coo 6.93 7.52 14.08 7.18 6.08 15.65 11.31 -53.68 1.37 10.81 -55.59 0.54 ULMN 3 1nu3_c01 LIMONENE-1,2-EPOXIDE HYDROLASE user 4 3 # 4 B 99 ARG B 68 ARG~? 13.19 C1 EDO A 104 B 101 ASP B 65 ASP~? 10.18 C1 EDO A 104 B 132 ASP B 72 ASP~? -3.91 O2 EDO A 104s coo 11.61 3.43 18.38 9.11 4.29 16.86 31.65 -46.03 15.78 32.85 -48.29 14.05 coo 11.74 0.51 12.98 10.75 1.32 14.67 33.69 -38.88 16.48 35.60 -39.38 17.27 coo 6.93 7.52 14.08 7.18 6.08 15.65 26.38 -44.91 20.83 26.53 -45.26 22.94 ULMN 3 1nu3_c01 LIMONENE-1,2-EPOXIDE HYDROLASE user 5 3 # 5 B 99 ARG B 68 ARG~? 13.19 C1 EDO A 104 B 101 ASP B 72 ASP~? -3.91 O2 EDO A 104s B 132 ASP B 65 ASP~? 10.18 C1 EDO A 104 coo 11.61 3.43 18.38 9.11 4.29 16.86 31.65 -46.03 15.78 32.85 -48.29 14.05 coo 11.74 0.51 12.98 10.75 1.32 14.67 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 6.93 7.52 14.08 7.18 6.08 15.65 33.69 -38.88 16.48 35.60 -39.38 17.27 1nu3_c01 source 1nu3 LIMONENE-1,2-EPOXIDE HYDROLASE : 5 hits 1nu3_c01 naa= 3 ULMN 3 1nww_c02 LIMONENE-1,2-EPOXIDE HYDROLASE user 1 3 # 1 A 99 ARG A 10 ARG^? -4.66 C1 EDO A 110s A 101 ASP A 89 ASP^? -2.90 O1 EDO A 107s A 132 ASP A 54 ASP.? 2.78 C2 EDO A 108s coo 11.50 22.77 17.24 14.00 21.62 15.86 30.66 -12.08 43.31 30.96 -9.43 41.69 coo 11.19 25.00 11.76 12.16 24.45 13.59 29.57 -11.85 38.15 30.81 -11.99 36.52 coo 16.04 18.11 13.43 15.88 19.70 14.83 27.81 -17.65 45.48 28.28 -15.77 46.28 ULMN 3 1nww_c02 LIMONENE-1,2-EPOXIDE HYDROLASE user 2 3 # 2 A 99 ARG A 77 ARG~? 12.24 O2 EDO A 105 A 101 ASP A 72 ASP~? 9.41 O1 EDO A 102 A 132 ASP A 75 ASP~? -3.37 CL CL A 101s coo 11.50 22.77 17.24 14.00 21.62 15.86 15.52 -22.75 25.33 12.48 -23.17 25.81 coo 11.19 25.00 11.76 12.16 24.45 13.59 19.04 -26.10 21.93 20.11 -24.78 20.72 coo 16.04 18.11 13.43 15.88 19.70 14.83 16.12 -29.42 31.11 14.94 -31.11 31.50 ULMN 3 1nww_c02 LIMONENE-1,2-EPOXIDE HYDROLASE user 3 3 # 3 A 99 ARG B 10 ARG^? 18.61 OXT ACT B 102 A 101 ASP B 89 ASP^? 14.56 OXT ACT B 102 A 132 ASP B 54 ASP.? 14.05 O2 EDO B 104 coo 11.50 22.77 17.24 14.00 21.62 15.86 14.67 -59.33 0.36 16.35 -61.87 0.73 coo 11.19 25.00 11.76 12.16 24.45 13.59 18.24 -59.30 3.92 20.30 -59.15 3.66 coo 16.04 18.11 13.43 15.88 19.70 14.83 11.31 -53.68 1.37 10.81 -55.59 0.54 ULMN 3 1nww_c02 LIMONENE-1,2-EPOXIDE HYDROLASE user 4 3 # 4 A 99 ARG B 68 ARG~? 13.19 C1 EDO A 104 A 101 ASP B 65 ASP~? 10.18 C1 EDO A 104 A 132 ASP B 72 ASP~? -3.91 O2 EDO A 104s coo 11.50 22.77 17.24 14.00 21.62 15.86 31.65 -46.03 15.78 32.85 -48.29 14.05 coo 11.19 25.00 11.76 12.16 24.45 13.59 33.69 -38.88 16.48 35.60 -39.38 17.27 coo 16.04 18.11 13.43 15.88 19.70 14.83 26.38 -44.91 20.83 26.53 -45.26 22.94 ULMN 3 1nww_c02 LIMONENE-1,2-EPOXIDE HYDROLASE user 5 3 # 5 A 99 ARG B 68 ARG~? 13.19 C1 EDO A 104 A 101 ASP B 72 ASP~? -3.91 O2 EDO A 104s A 132 ASP B 65 ASP~? 10.18 C1 EDO A 104 coo 11.50 22.77 17.24 14.00 21.62 15.86 31.65 -46.03 15.78 32.85 -48.29 14.05 coo 11.19 25.00 11.76 12.16 24.45 13.59 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 16.04 18.11 13.43 15.88 19.70 14.83 33.69 -38.88 16.48 35.60 -39.38 17.27 1nww_c02 source 1nww LIMONENE-1,2-EPOXIDE HYDROLASE : 5 hits 1nww_c02 naa= 3 ULMN 3 1nww_c03 LIMONENE-1,2-EPOXIDE HYDROLASE user 1 3 # 1 B 99 ARG A 10 ARG^? -4.66 C1 EDO A 110s B 101 ASP A 89 ASP^? -2.90 O1 EDO A 107s B 132 ASP A 54 ASP.? 2.78 C2 EDO A 108s coo 11.48 3.09 18.25 9.01 4.07 16.77 30.66 -12.08 43.31 30.96 -9.43 41.69 coo 11.83 0.33 13.01 10.88 1.04 14.81 29.57 -11.85 38.15 30.81 -11.99 36.52 coo 6.85 7.33 14.07 7.10 5.88 15.60 27.81 -17.65 45.48 28.28 -15.77 46.28 ULMN 3 1nww_c03 LIMONENE-1,2-EPOXIDE HYDROLASE user 2 3 # 2 B 99 ARG A 68 ARG~? 7.24 O1 EDO A 102 B 101 ASP A 65 ASP~? 10.10 C1 EDO A 104 B 132 ASP A 72 ASP~? 9.41 O1 EDO A 102 coo 11.48 3.09 18.25 9.01 4.07 16.77 26.63 -25.29 20.33 28.77 -23.06 20.70 coo 11.83 0.33 13.01 10.88 1.04 14.81 26.58 -32.44 17.88 27.18 -32.00 15.88 coo 6.85 7.33 14.07 7.10 5.88 15.60 19.04 -26.10 21.93 20.11 -24.78 20.72 ULMN 3 1nww_c03 LIMONENE-1,2-EPOXIDE HYDROLASE user 3 3 # 3 B 99 ARG A 68 ARG~? 7.24 O1 EDO A 102 B 101 ASP A 72 ASP~? 9.41 O1 EDO A 102 B 132 ASP A 65 ASP~? 10.10 C1 EDO A 104 coo 11.48 3.09 18.25 9.01 4.07 16.77 26.63 -25.29 20.33 28.77 -23.06 20.70 coo 11.83 0.33 13.01 10.88 1.04 14.81 19.04 -26.10 21.93 20.11 -24.78 20.72 coo 6.85 7.33 14.07 7.10 5.88 15.60 26.58 -32.44 17.88 27.18 -32.00 15.88 ULMN 3 1nww_c03 LIMONENE-1,2-EPOXIDE HYDROLASE user 4 3 # 4 B 99 ARG A 77 ARG~? 12.24 O2 EDO A 105 B 101 ASP A 72 ASP~? 9.41 O1 EDO A 102 B 132 ASP A 75 ASP~? -3.37 CL CL A 101s coo 11.48 3.09 18.25 9.01 4.07 16.77 15.52 -22.75 25.33 12.48 -23.17 25.81 coo 11.83 0.33 13.01 10.88 1.04 14.81 19.04 -26.10 21.93 20.11 -24.78 20.72 coo 6.85 7.33 14.07 7.10 5.88 15.60 16.12 -29.42 31.11 14.94 -31.11 31.50 ULMN 3 1nww_c03 LIMONENE-1,2-EPOXIDE HYDROLASE user 5 3 # 5 B 99 ARG B 10 ARG^? 18.61 OXT ACT B 102 B 101 ASP B 89 ASP^? 14.56 OXT ACT B 102 B 132 ASP B 54 ASP.? 14.05 O2 EDO B 104 coo 11.48 3.09 18.25 9.01 4.07 16.77 14.67 -59.33 0.36 16.35 -61.87 0.73 coo 11.83 0.33 13.01 10.88 1.04 14.81 18.24 -59.30 3.92 20.30 -59.15 3.66 coo 6.85 7.33 14.07 7.10 5.88 15.60 11.31 -53.68 1.37 10.81 -55.59 0.54 ULMN 3 1nww_c03 LIMONENE-1,2-EPOXIDE HYDROLASE user 6 3 # 6 B 99 ARG B 68 ARG~? 13.19 C1 EDO A 104 B 101 ASP B 65 ASP~? 10.18 C1 EDO A 104 B 132 ASP B 72 ASP~? -3.91 O2 EDO A 104s coo 11.48 3.09 18.25 9.01 4.07 16.77 31.65 -46.03 15.78 32.85 -48.29 14.05 coo 11.83 0.33 13.01 10.88 1.04 14.81 33.69 -38.88 16.48 35.60 -39.38 17.27 coo 6.85 7.33 14.07 7.10 5.88 15.60 26.38 -44.91 20.83 26.53 -45.26 22.94 ULMN 3 1nww_c03 LIMONENE-1,2-EPOXIDE HYDROLASE user 7 3 # 7 B 99 ARG B 68 ARG~? 13.19 C1 EDO A 104 B 101 ASP B 72 ASP~? -3.91 O2 EDO A 104s B 132 ASP B 65 ASP~? 10.18 C1 EDO A 104 coo 11.48 3.09 18.25 9.01 4.07 16.77 31.65 -46.03 15.78 32.85 -48.29 14.05 coo 11.83 0.33 13.01 10.88 1.04 14.81 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 6.85 7.33 14.07 7.10 5.88 15.60 33.69 -38.88 16.48 35.60 -39.38 17.27 ULMN 3 1nww_c03 LIMONENE-1,2-EPOXIDE HYDROLASE user 8 3 # 8 B 99 ARG B 77 ARG~? 7.48 O2 EDO A 104 B 101 ASP B 72 ASP~? -3.91 O2 EDO A 104s B 132 ASP B 75 ASP~? 7.34 C2 EDO A 105 coo 11.48 3.09 18.25 9.01 4.07 16.77 21.83 -48.69 21.52 20.83 -47.48 24.21 coo 11.83 0.33 13.01 10.88 1.04 14.81 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 6.85 7.33 14.07 7.10 5.88 15.60 16.30 -41.75 19.83 15.36 -40.72 21.44 1nww_c03 source 1nww LIMONENE-1,2-EPOXIDE HYDROLASE : 8 hits 1nww_c03 naa= 3 ULMN 3 1ok4_c00 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 1 3 # 1 A 24 ASP A 75 ASP~? -3.37 CL CL A 101s A 146 TYR A 40 TYR^? -3.88 C2 EDO A 103s A 177 LYS A 38 LYS^? -2.86 O1 EDO A 104s coo -3.50 124.89 25.05 -2.25 124.77 23.26 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 1.87 119.38 16.45 1.41 122.11 16.84 24.80 -33.38 35.92 22.50 -34.77 36.54 coo -2.59 124.07 12.67 -0.91 126.17 18.42 27.72 -37.88 30.49 27.16 -40.68 26.03 ULMN 3 1ok4_c00 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 2 3 # 2 A 24 ASP B 65 ASP~? 10.18 C1 EDO A 104 A 146 TYR B 70 TYR~? -4.61 O ACT B 102s A 177 LYS B 38 LYS.? 11.73 C1 EDO B 105 coo -3.50 124.89 25.05 -2.25 124.77 23.26 33.69 -38.88 16.48 35.60 -39.38 17.27 coo 1.87 119.38 16.45 1.41 122.11 16.84 23.57 -42.42 13.63 21.81 -43.83 12.00 coo -2.59 124.07 12.67 -0.91 126.17 18.42 23.51 -33.84 9.67 26.45 -31.79 13.35 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 75 ASP~? -3.37 CL CL A 101s B 146 TYR A 40 TYR^? -3.88 C2 EDO A 103s B 177 LYS A 38 LYS^? -2.86 O1 EDO A 104s coo -7.43 109.06 51.23 -5.84 110.54 50.86 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 0.22 114.56 44.62 -0.76 115.18 47.18 24.80 -33.38 35.92 22.50 -34.77 36.54 coo -4.18 120.17 46.85 -4.02 115.31 51.00 27.72 -37.88 30.49 27.16 -40.68 26.03 ULMN 3 1ok4_c01 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 2 3 # 2 B 24 ASP B 65 ASP~? 10.18 C1 EDO A 104 B 146 TYR B 70 TYR~? -4.61 O ACT B 102s B 177 LYS B 38 LYS.? 11.73 C1 EDO B 105 coo -7.43 109.06 51.23 -5.84 110.54 50.86 33.69 -38.88 16.48 35.60 -39.38 17.27 coo 0.22 114.56 44.62 -0.76 115.18 47.18 23.57 -42.42 13.63 21.81 -43.83 12.00 coo -4.18 120.17 46.85 -4.02 115.31 51.00 23.51 -33.84 9.67 26.45 -31.79 13.35 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 75 ASP~? -3.37 CL CL A 101s C 146 TYR A 40 TYR^? -3.88 C2 EDO A 103s C 177 LYS A 38 LYS^? -2.86 O1 EDO A 104s coo -13.49 79.65 43.90 -12.13 80.29 45.45 16.12 -29.42 31.11 14.94 -31.11 31.50 coo -5.65 86.78 48.49 -7.16 84.72 49.65 24.80 -33.38 35.92 22.50 -34.77 36.54 coo -11.22 87.18 53.49 -10.94 81.64 50.31 27.72 -37.88 30.49 27.16 -40.68 26.03 ULMN 3 1ok4_c02 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 2 3 # 2 C 24 ASP B 65 ASP~? 10.18 C1 EDO A 104 C 146 TYR B 70 TYR~? -4.61 O ACT B 102s C 177 LYS B 38 LYS.? 11.73 C1 EDO B 105 coo -13.49 79.65 43.90 -12.13 80.29 45.45 33.69 -38.88 16.48 35.60 -39.38 17.27 coo -5.65 86.78 48.49 -7.16 84.72 49.65 23.57 -42.42 13.63 21.81 -43.83 12.00 coo -11.22 87.18 53.49 -10.94 81.64 50.31 23.51 -33.84 9.67 26.45 -31.79 13.35 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 75 ASP~? -3.37 CL CL A 101s D 146 TYR A 40 TYR^? -3.88 C2 EDO A 103s D 177 LYS A 38 LYS^? -2.86 O1 EDO A 104s coo -13.44 77.36 13.12 -12.53 75.97 14.48 16.12 -29.42 31.11 14.94 -31.11 31.50 coo -7.85 74.44 22.75 -9.22 72.86 20.89 24.80 -33.38 35.92 22.50 -34.77 36.54 coo -14.24 70.61 23.48 -12.55 71.73 17.42 27.72 -37.88 30.49 27.16 -40.68 26.03 ULMN 3 1ok4_c03 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 2 3 # 2 D 24 ASP B 65 ASP~? 10.18 C1 EDO A 104 D 146 TYR B 70 TYR~? -4.61 O ACT B 102s D 177 LYS B 38 LYS.? 11.73 C1 EDO B 105 coo -13.44 77.36 13.12 -12.53 75.97 14.48 33.69 -38.88 16.48 35.60 -39.38 17.27 coo -7.85 74.44 22.75 -9.22 72.86 20.89 23.57 -42.42 13.63 21.81 -43.83 12.00 coo -14.24 70.61 23.48 -12.55 71.73 17.42 23.51 -33.84 9.67 26.45 -31.79 13.35 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 75 ASP~? -3.37 CL CL A 101s E 146 TYR A 40 TYR^? -3.88 C2 EDO A 103s E 177 LYS A 38 LYS^? -2.86 O1 EDO A 104s coo -7.12 105.25 1.43 -6.30 103.34 0.77 16.12 -29.42 31.11 14.94 -31.11 31.50 coo -3.11 94.55 3.01 -3.83 95.92 0.66 24.80 -33.38 35.92 22.50 -34.77 36.54 coo -8.77 93.34 -1.70 -6.28 99.15 -2.21 27.72 -37.88 30.49 27.16 -40.68 26.03 ULMN 3 1ok4_c04 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 2 3 # 2 E 24 ASP B 65 ASP~? 10.18 C1 EDO A 104 E 146 TYR B 70 TYR~? -4.61 O ACT B 102s E 177 LYS B 38 LYS.? 11.73 C1 EDO B 105 coo -7.12 105.25 1.43 -6.30 103.34 0.77 33.69 -38.88 16.48 35.60 -39.38 17.27 coo -3.11 94.55 3.01 -3.83 95.92 0.66 23.57 -42.42 13.63 21.81 -43.83 12.00 coo -8.77 93.34 -1.70 -6.28 99.15 -2.21 23.51 -33.84 9.67 26.45 -31.79 13.35 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 75 ASP~? -3.37 CL CL A 101s F 146 TYR A 40 TYR^? -3.88 C2 EDO A 103s F 177 LYS A 38 LYS^? -2.86 O1 EDO A 104s coo -44.75 128.15 10.28 -45.68 129.67 11.55 16.12 -29.42 31.11 14.94 -31.11 31.50 coo -50.43 131.90 19.60 -49.04 133.31 17.60 24.80 -33.38 35.92 22.50 -34.77 36.54 coo -44.10 135.86 19.99 -45.67 134.21 14.07 27.72 -37.88 30.49 27.16 -40.68 26.03 ULMN 3 1ok4_c05 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 2 3 # 2 F 24 ASP B 65 ASP~? 10.18 C1 EDO A 104 F 146 TYR B 70 TYR~? -4.61 O ACT B 102s F 177 LYS B 38 LYS.? 11.73 C1 EDO B 105 coo -44.75 128.15 10.28 -45.68 129.67 11.55 33.69 -38.88 16.48 35.60 -39.38 17.27 coo -50.43 131.90 19.60 -49.04 133.31 17.60 23.57 -42.42 13.63 21.81 -43.83 12.00 coo -44.10 135.86 19.99 -45.67 134.21 14.07 23.51 -33.84 9.67 26.45 -31.79 13.35 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 75 ASP~? -3.37 CL CL A 101s G 146 TYR A 40 TYR^? -3.88 C2 EDO A 103s G 177 LYS A 38 LYS^? -2.86 O1 EDO A 104s coo -44.97 128.78 41.20 -46.32 128.26 42.83 16.12 -29.42 31.11 14.94 -31.11 31.50 coo -52.83 122.13 46.42 -51.31 124.30 47.39 24.80 -33.38 35.92 22.50 -34.77 36.54 coo -47.30 122.24 51.49 -47.46 127.44 47.81 27.72 -37.88 30.49 27.16 -40.68 26.03 ULMN 3 1ok4_c06 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 2 3 # 2 G 24 ASP B 65 ASP~? 10.18 C1 EDO A 104 G 146 TYR B 70 TYR~? -4.61 O ACT B 102s G 177 LYS B 38 LYS.? 11.73 C1 EDO B 105 coo -44.97 128.78 41.20 -46.32 128.26 42.83 33.69 -38.88 16.48 35.60 -39.38 17.27 coo -52.83 122.13 46.42 -51.31 124.30 47.39 23.57 -42.42 13.63 21.81 -43.83 12.00 coo -47.30 122.24 51.49 -47.46 127.44 47.81 23.51 -33.84 9.67 26.45 -31.79 13.35 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 75 ASP~? -3.37 CL CL A 101s H 146 TYR A 40 TYR^? -3.88 C2 EDO A 103s H 177 LYS A 38 LYS^? -2.86 O1 EDO A 104s coo -51.11 100.30 51.41 -52.67 98.82 51.12 16.12 -29.42 31.11 14.94 -31.11 31.50 coo -58.70 94.17 45.32 -57.76 93.82 47.92 24.80 -33.38 35.92 22.50 -34.77 36.54 coo -54.32 88.79 48.13 -54.61 94.04 51.74 27.72 -37.88 30.49 27.16 -40.68 26.03 ULMN 3 1ok4_c07 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 2 3 # 2 H 24 ASP B 65 ASP~? 10.18 C1 EDO A 104 H 146 TYR B 70 TYR~? -4.61 O ACT B 102s H 177 LYS B 38 LYS.? 11.73 C1 EDO B 105 coo -51.11 100.30 51.41 -52.67 98.82 51.12 33.69 -38.88 16.48 35.60 -39.38 17.27 coo -58.70 94.17 45.32 -57.76 93.82 47.92 23.57 -42.42 13.63 21.81 -43.83 12.00 coo -54.32 88.79 48.13 -54.61 94.04 51.74 23.51 -33.84 9.67 26.45 -31.79 13.35 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 75 ASP~? -3.37 CL CL A 101s I 146 TYR A 40 TYR^? -3.88 C2 EDO A 103s I 177 LYS A 38 LYS^? -2.86 O1 EDO A 104s coo -54.65 81.97 26.87 -55.88 81.89 25.07 16.12 -29.42 31.11 14.94 -31.11 31.50 coo -59.92 86.62 17.74 -59.42 83.94 18.40 24.80 -33.38 35.92 22.50 -34.77 36.54 coo -55.38 81.61 14.50 -57.11 80.05 20.41 27.72 -37.88 30.49 27.16 -40.68 26.03 ULMN 3 1ok4_c08 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 2 3 # 2 I 24 ASP B 65 ASP~? 10.18 C1 EDO A 104 I 146 TYR B 70 TYR~? -4.61 O ACT B 102s I 177 LYS B 38 LYS.? 11.73 C1 EDO B 105 coo -54.65 81.97 26.87 -55.88 81.89 25.07 33.69 -38.88 16.48 35.60 -39.38 17.27 coo -59.92 86.62 17.74 -59.42 83.94 18.40 23.57 -42.42 13.63 21.81 -43.83 12.00 coo -55.38 81.61 14.50 -57.11 80.05 20.41 23.51 -33.84 9.67 26.45 -31.79 13.35 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 75 ASP~? -3.37 CL CL A 101s J 146 TYR A 40 TYR^? -3.88 C2 EDO A 103s J 177 LYS A 38 LYS^? -2.86 O1 EDO A 104s coo -50.64 99.08 1.52 -51.52 100.83 0.67 16.12 -29.42 31.11 14.94 -31.11 31.50 coo -54.74 109.84 1.86 -54.04 108.22 -0.34 24.80 -33.38 35.92 22.50 -34.77 36.54 coo -49.01 110.53 -2.89 -51.59 104.72 -2.78 27.72 -37.88 30.49 27.16 -40.68 26.03 ULMN 3 1ok4_c09 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 2 3 # 2 J 24 ASP B 65 ASP~? 10.18 C1 EDO A 104 J 146 TYR B 70 TYR~? -4.61 O ACT B 102s J 177 LYS B 38 LYS.? 11.73 C1 EDO B 105 coo -50.64 99.08 1.52 -51.52 100.83 0.67 33.69 -38.88 16.48 35.60 -39.38 17.27 coo -54.74 109.84 1.86 -54.04 108.22 -0.34 23.57 -42.42 13.63 21.81 -43.83 12.00 coo -49.01 110.53 -2.89 -51.59 104.72 -2.78 23.51 -33.84 9.67 26.45 -31.79 13.35 1ok4_c09 source 1ok4 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASS I : 2 hits 1ok4_c09 naa= 3 ULMN 3 1oyg_c00 LEVANSUCRASE user 1 3 # 1 A 86 ASP A 62 ASP^? -3.71 O1 EDO A 104s A 247 ASP A 65 ASP~? 10.10 C1 EDO A 104 A 342 GLU A 64 GLU~? 12.93 C1 EDO A 102 coo 44.36 35.68 9.71 43.29 36.20 11.51 29.38 -36.88 23.98 30.56 -38.20 22.76 coo 41.40 28.81 12.91 40.82 30.90 12.97 26.58 -32.44 17.88 27.18 -32.00 15.88 coo 40.37 33.11 18.06 39.99 34.93 17.06 32.22 -28.58 19.32 33.17 -27.36 17.86 ULMN 3 1oyg_c00 LEVANSUCRASE user 2 3 # 2 A 86 ASP B 60 ASP^? 5.67 C1 EDO B 105 A 247 ASP B 62 ASP^? 10.84 C1 EDO B 105 A 342 GLU B 36 GLU.? 4.68 C1 EDO A 104 coo 44.36 35.68 9.71 43.29 36.20 11.51 24.76 -37.09 5.99 24.21 -37.69 4.07 coo 41.40 28.81 12.91 40.82 30.90 12.97 30.23 -34.29 11.39 31.86 -33.00 11.08 coo 40.37 33.11 18.06 39.99 34.93 17.06 26.07 -36.88 17.25 24.74 -37.15 18.88 ULMN 3 1oyg_c00 LEVANSUCRASE user 3 3 # 3 A 86 ASP B 62 ASP^? 10.84 C1 EDO B 105 A 247 ASP A 65 ASP~? 10.10 C1 EDO A 104 A 342 GLU A 64 GLU~? 12.93 C1 EDO A 102 coo 44.36 35.68 9.71 43.29 36.20 11.51 30.23 -34.29 11.39 31.86 -33.00 11.08 coo 41.40 28.81 12.91 40.82 30.90 12.97 26.58 -32.44 17.88 27.18 -32.00 15.88 coo 40.37 33.11 18.06 39.99 34.93 17.06 32.22 -28.58 19.32 33.17 -27.36 17.86 ULMN 3 1oyg_c00 LEVANSUCRASE user 4 3 # 4 A 86 ASP B 62 ASP^? 10.84 C1 EDO B 105 A 247 ASP B 65 ASP~? 10.18 C1 EDO A 104 A 342 GLU B 36 GLU.? 4.68 C1 EDO A 104 coo 44.36 35.68 9.71 43.29 36.20 11.51 30.23 -34.29 11.39 31.86 -33.00 11.08 coo 41.40 28.81 12.91 40.82 30.90 12.97 33.69 -38.88 16.48 35.60 -39.38 17.27 coo 40.37 33.11 18.06 39.99 34.93 17.06 26.07 -36.88 17.25 24.74 -37.15 18.88 ULMN 3 1oyg_c00 LEVANSUCRASE user 5 3 # 5 A 86 ASP B 62 ASP^? 10.84 C1 EDO B 105 A 247 ASP B 65 ASP~? 10.18 C1 EDO A 104 A 342 GLU B 64 GLU~? 15.64 C1 EDO A 104 coo 44.36 35.68 9.71 43.29 36.20 11.51 30.23 -34.29 11.39 31.86 -33.00 11.08 coo 41.40 28.81 12.91 40.82 30.90 12.97 33.69 -38.88 16.48 35.60 -39.38 17.27 coo 40.37 33.11 18.06 39.99 34.93 17.06 35.47 -42.81 11.09 36.89 -44.38 11.18 ULMN 3 1oyg_c00 LEVANSUCRASE user 6 3 # 6 A 86 ASP B 65 ASP~? 10.18 C1 EDO A 104 A 247 ASP A 62 ASP^? -3.71 O1 EDO A 104s A 342 GLU B 36 GLU.? 4.68 C1 EDO A 104 coo 44.36 35.68 9.71 43.29 36.20 11.51 33.69 -38.88 16.48 35.60 -39.38 17.27 coo 41.40 28.81 12.91 40.82 30.90 12.97 29.38 -36.88 23.98 30.56 -38.20 22.76 coo 40.37 33.11 18.06 39.99 34.93 17.06 26.07 -36.88 17.25 24.74 -37.15 18.88 ULMN 3 1oyg_c00 LEVANSUCRASE user 7 3 # 7 A 86 ASP B 65 ASP~? 10.18 C1 EDO A 104 A 247 ASP A 65 ASP~? 10.10 C1 EDO A 104 A 342 GLU A 36 GLU.? 4.60 C2 EDO A 104 coo 44.36 35.68 9.71 43.29 36.20 11.51 33.69 -38.88 16.48 35.60 -39.38 17.27 coo 41.40 28.81 12.91 40.82 30.90 12.97 26.58 -32.44 17.88 27.18 -32.00 15.88 coo 40.37 33.11 18.06 39.99 34.93 17.06 25.24 -36.15 22.76 23.21 -36.44 22.19 ULMN 3 1oyg_c00 LEVANSUCRASE user 8 3 # 8 A 86 ASP B 65 ASP~? 10.18 C1 EDO A 104 A 247 ASP A 65 ASP~? 10.10 C1 EDO A 104 A 342 GLU A 64 GLU~? 12.93 C1 EDO A 102 coo 44.36 35.68 9.71 43.29 36.20 11.51 33.69 -38.88 16.48 35.60 -39.38 17.27 coo 41.40 28.81 12.91 40.82 30.90 12.97 26.58 -32.44 17.88 27.18 -32.00 15.88 coo 40.37 33.11 18.06 39.99 34.93 17.06 32.22 -28.58 19.32 33.17 -27.36 17.86 ULMN 3 1oyg_c00 LEVANSUCRASE user 9 3 # 9 A 86 ASP B 65 ASP~? 10.18 C1 EDO A 104 A 247 ASP B 62 ASP^? 10.84 C1 EDO B 105 A 342 GLU B 36 GLU.? 4.68 C1 EDO A 104 coo 44.36 35.68 9.71 43.29 36.20 11.51 33.69 -38.88 16.48 35.60 -39.38 17.27 coo 41.40 28.81 12.91 40.82 30.90 12.97 30.23 -34.29 11.39 31.86 -33.00 11.08 coo 40.37 33.11 18.06 39.99 34.93 17.06 26.07 -36.88 17.25 24.74 -37.15 18.88 ULMN 3 1oyg_c00 LEVANSUCRASE user 10 3 # 10 A 86 ASP B 72 ASP~? -3.91 O2 EDO A 104s A 247 ASP A 62 ASP^? -3.71 O1 EDO A 104s A 342 GLU B 36 GLU.? 4.68 C1 EDO A 104 coo 44.36 35.68 9.71 43.29 36.20 11.51 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 41.40 28.81 12.91 40.82 30.90 12.97 29.38 -36.88 23.98 30.56 -38.20 22.76 coo 40.37 33.11 18.06 39.99 34.93 17.06 26.07 -36.88 17.25 24.74 -37.15 18.88 1oyg_c00 source 1oyg LEVANSUCRASE : 10 hits 1oyg_c00 naa= 3 ULMN 3 1pj5_c00 N,N-DIMETHYLGLYCINE OXIDASE user 1 3 # 1 A 225 HIS B 76 HIS~? -3.94 OXT ACT B 102s A 259 TYR B 40 TYR^? 4.63 O ACT B 102s A 552 ASP A 89 ASP^? -2.90 O1 EDO A 107s coo 11.34 95.90 25.54 12.13 96.42 23.67 20.42 -45.46 15.69 21.14 -46.68 14.13 coo 14.91 97.39 18.63 13.39 95.60 20.20 17.73 -39.49 9.16 17.04 -42.03 10.10 coo 46.37 82.54 38.83 45.97 84.66 38.77 29.57 -11.85 38.15 30.81 -11.99 36.52 1pj5_c00 source 1pj5 N,N-DIMETHYLGLYCINE OXIDASE : 1 hits 1pj5_c00 naa= 3 ULMN 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 1 3 # 1 A 70 ALA A 32 ALA.? -5.14 O2 EDO A 103s A 126 LEU A 37 LEU^? 5.15 O2 EDO A 103 A 158 GLU A 36 GLU.? 4.60 C2 EDO A 104 coo -2.29 37.66 144.73 -1.46 37.12 145.87 18.89 -31.60 30.32 19.49 -30.34 29.72 coo -4.62 32.83 147.14 -5.50 32.85 149.12 24.31 -34.63 29.54 24.49 -33.30 31.26 coo -0.83 29.57 149.77 -0.39 31.47 148.95 25.24 -36.15 22.76 23.21 -36.44 22.19 ULMN 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 2 3 # 2 A 70 ALA A 33 ALA.? 3.70 CL CL A 101s A 126 LEU A 37 LEU^? 5.15 O2 EDO A 103 A 158 GLU A 36 GLU.? 4.60 C2 EDO A 104 coo -2.29 37.66 144.73 -1.46 37.12 145.87 19.95 -35.27 30.54 19.58 -36.13 31.70 coo -4.62 32.83 147.14 -5.50 32.85 149.12 24.31 -34.63 29.54 24.49 -33.30 31.26 coo -0.83 29.57 149.77 -0.39 31.47 148.95 25.24 -36.15 22.76 23.21 -36.44 22.19 ULMN 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 3 3 # 3 A 70 ALA B 32 ALA~? 10.28 O2 EDO A 105 A 126 LEU B 37 LEU.? 7.24 O ACT B 102 A 158 GLU B 36 GLU.? 4.68 C1 EDO A 104 coo -2.29 37.66 144.73 -1.46 37.12 145.87 14.99 -33.80 16.17 13.51 -33.56 16.44 coo -4.62 32.83 147.14 -5.50 32.85 149.12 20.99 -36.91 12.22 20.40 -38.90 11.98 coo -0.83 29.57 149.77 -0.39 31.47 148.95 26.07 -36.88 17.25 24.74 -37.15 18.88 ULMN 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 4 3 # 4 A 70 ALA B 59 ALA^? 5.57 O ACT B 102 A 126 LEU B 37 LEU.? 7.24 O ACT B 102 A 158 GLU B 36 GLU.? 4.68 C1 EDO A 104 coo -2.29 37.66 144.73 -1.46 37.12 145.87 22.18 -40.83 7.36 22.16 -41.54 8.73 coo -4.62 32.83 147.14 -5.50 32.85 149.12 20.99 -36.91 12.22 20.40 -38.90 11.98 coo -0.83 29.57 149.77 -0.39 31.47 148.95 26.07 -36.88 17.25 24.74 -37.15 18.88 ULMN 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 5 3 # 5 A 70 ALA B 59 ALA^? 5.57 O ACT B 102 A 126 LEU B 61 LEU^? 9.55 O ACT B 102 A 158 GLU B 36 GLU.? 4.68 C1 EDO A 104 coo -2.29 37.66 144.73 -1.46 37.12 145.87 22.18 -40.83 7.36 22.16 -41.54 8.73 coo -4.62 32.83 147.14 -5.50 32.85 149.12 27.55 -39.08 10.62 25.77 -40.38 11.00 coo -0.83 29.57 149.77 -0.39 31.47 148.95 26.07 -36.88 17.25 24.74 -37.15 18.88 1pjh_c00 source 1pjh ENOYL-COA ISOMERASE; ECI1P : 5 hits 1pjh_c00 naa= 3 ULMN 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 1 3 # 1 B 70 ALA A 32 ALA.? -5.14 O2 EDO A 103s B 126 LEU A 37 LEU^? 5.15 O2 EDO A 103 B 158 GLU A 36 GLU.? 4.60 C2 EDO A 104 coo -39.79 4.61 147.27 -39.61 5.56 148.47 18.89 -31.60 30.32 19.49 -30.34 29.72 coo -34.22 5.06 149.25 -33.65 4.24 151.15 24.31 -34.63 29.54 24.49 -33.30 31.26 coo -33.03 9.93 151.71 -34.98 9.38 151.11 25.24 -36.15 22.76 23.21 -36.44 22.19 ULMN 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 2 3 # 2 B 70 ALA A 33 ALA.? 3.70 CL CL A 101s B 126 LEU A 37 LEU^? 5.15 O2 EDO A 103 B 158 GLU A 36 GLU.? 4.60 C2 EDO A 104 coo -39.79 4.61 147.27 -39.61 5.56 148.47 19.95 -35.27 30.54 19.58 -36.13 31.70 coo -34.22 5.06 149.25 -33.65 4.24 151.15 24.31 -34.63 29.54 24.49 -33.30 31.26 coo -33.03 9.93 151.71 -34.98 9.38 151.11 25.24 -36.15 22.76 23.21 -36.44 22.19 ULMN 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 3 3 # 3 B 70 ALA B 32 ALA~? 10.28 O2 EDO A 105 B 126 LEU B 37 LEU.? 7.24 O ACT B 102 B 158 GLU B 36 GLU.? 4.68 C1 EDO A 104 coo -39.79 4.61 147.27 -39.61 5.56 148.47 14.99 -33.80 16.17 13.51 -33.56 16.44 coo -34.22 5.06 149.25 -33.65 4.24 151.15 20.99 -36.91 12.22 20.40 -38.90 11.98 coo -33.03 9.93 151.71 -34.98 9.38 151.11 26.07 -36.88 17.25 24.74 -37.15 18.88 ULMN 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 4 3 # 4 B 70 ALA B 59 ALA^? 5.57 O ACT B 102 B 126 LEU B 37 LEU.? 7.24 O ACT B 102 B 158 GLU B 36 GLU.? 4.68 C1 EDO A 104 coo -39.79 4.61 147.27 -39.61 5.56 148.47 22.18 -40.83 7.36 22.16 -41.54 8.73 coo -34.22 5.06 149.25 -33.65 4.24 151.15 20.99 -36.91 12.22 20.40 -38.90 11.98 coo -33.03 9.93 151.71 -34.98 9.38 151.11 26.07 -36.88 17.25 24.74 -37.15 18.88 ULMN 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 5 3 # 5 B 70 ALA B 59 ALA^? 5.57 O ACT B 102 B 126 LEU B 61 LEU^? 9.55 O ACT B 102 B 158 GLU B 36 GLU.? 4.68 C1 EDO A 104 coo -39.79 4.61 147.27 -39.61 5.56 148.47 22.18 -40.83 7.36 22.16 -41.54 8.73 coo -34.22 5.06 149.25 -33.65 4.24 151.15 27.55 -39.08 10.62 25.77 -40.38 11.00 coo -33.03 9.93 151.71 -34.98 9.38 151.11 26.07 -36.88 17.25 24.74 -37.15 18.88 1pjh_c01 source 1pjh ENOYL-COA ISOMERASE; ECI1P : 5 hits 1pjh_c01 naa= 3 ULMN 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 1 3 # 1 C 70 ALA A 32 ALA.? -5.14 O2 EDO A 103s C 126 LEU A 37 LEU^? 5.15 O2 EDO A 103 C 158 GLU A 36 GLU.? 4.60 C2 EDO A 104 coo 7.77 -11.41 146.15 6.88 -11.77 147.32 18.89 -31.60 30.32 19.49 -30.34 29.72 coo 4.88 -6.81 148.13 5.33 -5.89 150.06 24.31 -34.63 29.54 24.49 -33.30 31.26 coo 0.03 -8.25 150.96 1.55 -9.64 150.41 25.24 -36.15 22.76 23.21 -36.44 22.19 ULMN 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 2 3 # 2 C 70 ALA A 33 ALA.? 3.70 CL CL A 101s C 126 LEU A 37 LEU^? 5.15 O2 EDO A 103 C 158 GLU A 36 GLU.? 4.60 C2 EDO A 104 coo 7.77 -11.41 146.15 6.88 -11.77 147.32 19.95 -35.27 30.54 19.58 -36.13 31.70 coo 4.88 -6.81 148.13 5.33 -5.89 150.06 24.31 -34.63 29.54 24.49 -33.30 31.26 coo 0.03 -8.25 150.96 1.55 -9.64 150.41 25.24 -36.15 22.76 23.21 -36.44 22.19 ULMN 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 3 3 # 3 C 70 ALA B 59 ALA^? 5.57 O ACT B 102 C 126 LEU B 37 LEU.? 7.24 O ACT B 102 C 158 GLU B 36 GLU.? 4.68 C1 EDO A 104 coo 7.77 -11.41 146.15 6.88 -11.77 147.32 22.18 -40.83 7.36 22.16 -41.54 8.73 coo 4.88 -6.81 148.13 5.33 -5.89 150.06 20.99 -36.91 12.22 20.40 -38.90 11.98 coo 0.03 -8.25 150.96 1.55 -9.64 150.41 26.07 -36.88 17.25 24.74 -37.15 18.88 ULMN 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 4 3 # 4 C 70 ALA B 59 ALA^? 5.57 O ACT B 102 C 126 LEU B 61 LEU^? 9.55 O ACT B 102 C 158 GLU B 36 GLU.? 4.68 C1 EDO A 104 coo 7.77 -11.41 146.15 6.88 -11.77 147.32 22.18 -40.83 7.36 22.16 -41.54 8.73 coo 4.88 -6.81 148.13 5.33 -5.89 150.06 27.55 -39.08 10.62 25.77 -40.38 11.00 coo 0.03 -8.25 150.96 1.55 -9.64 150.41 26.07 -36.88 17.25 24.74 -37.15 18.88 1pjh_c02 source 1pjh ENOYL-COA ISOMERASE; ECI1P : 4 hits 1pjh_c02 naa= 3 ULMN 3 1pmi_c00 PHOSPHOMANNOSE ISOMERASE user 1 3 # 1 111 GLN A 71 GLN~? -4.00 O1 EDO A 102s 294 GLU A 36 GLU.? 4.60 C2 EDO A 104 304 ARG A 77 ARG~? 12.24 O2 EDO A 105 coo 15.89 18.45 46.53 15.82 16.91 48.02 24.64 -24.43 24.90 25.74 -23.20 23.58 coo 22.84 13.44 52.91 20.84 13.18 52.38 25.24 -36.15 22.76 23.21 -36.44 22.19 coo 8.71 17.11 46.51 7.23 17.64 49.20 15.52 -22.75 25.33 12.48 -23.17 25.81 ULMN 3 1pmi_c00 PHOSPHOMANNOSE ISOMERASE user 2 3 # 2 111 GLN A 94 GLN^? 4.68 C1 EDO A 102 294 GLU A 64 GLU~? 12.93 C1 EDO A 102 304 ARG A 4 ARG^? 11.15 O1 EDO A 106 coo 15.89 18.45 46.53 15.82 16.91 48.02 32.05 -24.90 27.25 31.50 -22.83 27.13 coo 22.84 13.44 52.91 20.84 13.18 52.38 32.22 -28.58 19.32 33.17 -27.36 17.86 coo 8.71 17.11 46.51 7.23 17.64 49.20 35.29 -30.48 33.81 35.42 -33.13 35.27 1pmi_c00 source 1pmi PHOSPHOMANNOSE ISOMERASE : 2 hits 1pmi_c00 naa= 3 ULMN 3 1pow_c02 PYRUVATE OXIDASE (E.C.1.2.3.3) (WILDuser 1 3 # 1 A 264 ARG A 68 ARG~? 7.24 O1 EDO A 102 A 479 PHE A 67 PHE~? -4.76 C1 EDO A 102s A 483 GLU A 64 GLU~? 12.93 C1 EDO A 102 coo 17.33 52.29 2.24 18.71 54.03 0.18 26.63 -25.29 20.33 28.77 -23.06 20.70 coo 20.06 57.44 1.28 18.39 56.19 3.12 28.51 -27.10 24.33 28.72 -24.72 25.76 coo 17.33 54.96 -3.04 16.34 56.76 -2.51 32.22 -28.58 19.32 33.17 -27.36 17.86 ULMN 3 1pow_c02 PYRUVATE OXIDASE (E.C.1.2.3.3) (WILDuser 2 3 # 2 A 264 ARG B 68 ARG~? 13.19 C1 EDO A 104 A 479 PHE B 67 PHE~? 9.52 OXT ACT B 102 A 483 GLU B 64 GLU~? 15.64 C1 EDO A 104 coo 17.33 52.29 2.24 18.71 54.03 0.18 31.65 -46.03 15.78 32.85 -48.29 14.05 coo 20.06 57.44 1.28 18.39 56.19 3.12 29.04 -44.24 11.72 28.04 -46.76 11.25 coo 17.33 54.96 -3.04 16.34 56.76 -2.51 35.47 -42.81 11.09 36.89 -44.38 11.18 1pow_c02 source 1pow PYRUVATE OXIDASE (E.C.1.2.3.3) (WILD TYPE) : 2 hits 1pow_c02 naa= 3 ULMN 3 1pow_c03 PYRUVATE OXIDASE (E.C.1.2.3.3) (WILDuser 1 3 # 1 B 264 ARG A 68 ARG~? 7.24 O1 EDO A 102 B 479 PHE A 67 PHE~? -4.76 C1 EDO A 102s B 483 GLU A 64 GLU~? 12.93 C1 EDO A 102 coo -26.72 93.28 20.13 -28.02 93.55 17.39 26.63 -25.29 20.33 28.77 -23.06 20.70 coo -29.34 90.48 15.69 -27.62 89.95 17.80 28.51 -27.10 24.33 28.72 -24.72 25.76 coo -26.63 95.49 14.65 -25.77 93.77 13.77 32.22 -28.58 19.32 33.17 -27.36 17.86 ULMN 3 1pow_c03 PYRUVATE OXIDASE (E.C.1.2.3.3) (WILDuser 2 3 # 2 B 264 ARG B 68 ARG~? 13.19 C1 EDO A 104 B 479 PHE B 67 PHE~? 9.52 OXT ACT B 102 B 483 GLU B 64 GLU~? 15.64 C1 EDO A 104 coo -26.72 93.28 20.13 -28.02 93.55 17.39 31.65 -46.03 15.78 32.85 -48.29 14.05 coo -29.34 90.48 15.69 -27.62 89.95 17.80 29.04 -44.24 11.72 28.04 -46.76 11.25 coo -26.63 95.49 14.65 -25.77 93.77 13.77 35.47 -42.81 11.09 36.89 -44.38 11.18 1pow_c03 source 1pow PYRUVATE OXIDASE (E.C.1.2.3.3) (WILD TYPE) : 2 hits 1pow_c03 naa= 3 ULMN 3 1pyl_c01 RIBONUCLEASE user 1 3 # 1 B 56 GLU B 36 GLU.? 4.68 C1 EDO A 104 B 67 ARG B 68 ARG~? 13.19 C1 EDO A 104 B 86 HIS B 76 HIS~? -3.94 OXT ACT B 102s coo 33.14 -5.53 11.32 32.45 -5.14 9.39 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 31.86 -4.62 2.25 31.08 -4.78 5.21 31.65 -46.03 15.78 32.85 -48.29 14.05 coo 25.42 -9.42 7.20 25.63 -7.36 7.52 20.42 -45.46 15.69 21.14 -46.68 14.13 1pyl_c01 source 1pyl RIBONUCLEASE : 1 hits 1pyl_c01 naa= 3 ULMN 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 1 3 # 1 A 67 ASP A 60 ASP^? 9.96 C2 EDO A 103 A 68 ALA A 59 ALA^? 4.61 O2 EDO A 103 A 72 LEU A 37 LEU^? 5.15 O2 EDO A 103 coo 46.76 7.59 18.65 45.27 6.01 18.52 31.34 -34.21 31.28 32.49 -33.56 32.90 coo 48.88 4.35 16.59 48.73 5.09 15.20 28.61 -30.57 32.81 27.41 -29.88 32.12 coo 53.89 6.25 15.09 52.88 7.92 14.14 24.31 -34.63 29.54 24.49 -33.30 31.26 ULMN 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 2 3 # 2 A 67 ASP A 75 ASP~? -3.37 CL CL A 101s A 68 ALA A 32 ALA.? -5.14 O2 EDO A 103s A 72 LEU A 37 LEU^? 5.15 O2 EDO A 103 coo 46.76 7.59 18.65 45.27 6.01 18.52 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 48.88 4.35 16.59 48.73 5.09 15.20 18.89 -31.60 30.32 19.49 -30.34 29.72 coo 53.89 6.25 15.09 52.88 7.92 14.14 24.31 -34.63 29.54 24.49 -33.30 31.26 ULMN 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 3 3 # 3 A 67 ASP A 89 ASP^? -2.90 O1 EDO A 107s A 68 ALA A 88 ALA^? 5.94 O2 EDO A 108 A 72 LEU A 87 LEU^? 7.51 O1 NBZ A 112 coo 46.76 7.59 18.65 45.27 6.01 18.52 29.57 -11.85 38.15 30.81 -11.99 36.52 coo 48.88 4.35 16.59 48.73 5.09 15.20 25.70 -10.46 39.97 26.31 -10.14 41.35 coo 53.89 6.25 15.09 52.88 7.92 14.14 23.53 -13.65 37.69 23.95 -15.76 37.12 ULMN 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 4 3 # 4 A 67 ASP B 60 ASP^? 5.67 C1 EDO B 105 A 68 ALA B 59 ALA^? 5.57 O ACT B 102 A 72 LEU B 37 LEU.? 7.24 O ACT B 102 coo 46.76 7.59 18.65 45.27 6.01 18.52 24.76 -37.09 5.99 24.21 -37.69 4.07 coo 48.88 4.35 16.59 48.73 5.09 15.20 22.18 -40.83 7.36 22.16 -41.54 8.73 coo 53.89 6.25 15.09 52.88 7.92 14.14 20.99 -36.91 12.22 20.40 -38.90 11.98 ULMN 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 5 3 # 5 A 67 ASP B 75 ASP~? 7.34 C2 EDO A 105 A 68 ALA B 78 ALA~? 9.37 CH3 ACT B 102 A 72 LEU B 80 LEU~? 5.17 OXT ACT B 102 coo 46.76 7.59 18.65 45.27 6.01 18.52 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 48.88 4.35 16.59 48.73 5.09 15.20 14.97 -47.84 20.03 14.24 -46.69 20.72 coo 53.89 6.25 15.09 52.88 7.92 14.14 17.95 -50.68 15.85 19.63 -50.06 14.64 ULMN 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 6 3 # 6 A 67 ASP B 89 ASP^? 14.56 OXT ACT B 102 A 68 ALA B 88 ALA^? 16.39 CH3 ACT B 102 A 72 LEU B 87 LEU^? 10.49 OXT ACT B 102 coo 46.76 7.59 18.65 45.27 6.01 18.52 18.24 -59.30 3.92 20.30 -59.15 3.66 coo 48.88 4.35 16.59 48.73 5.09 15.20 14.63 -60.74 6.28 13.88 -61.04 4.95 coo 53.89 6.25 15.09 52.88 7.92 14.14 15.35 -57.57 9.20 16.10 -55.54 9.05 1q6l_c05 source 1q6l 3-KETO-L-GULONATE 6-PHOSPHATE DECARBOXYLASE : 6 hits 1q6l_c05 naa= 3 ULMN 3 1qaz_c00 ALGINATE LYASE A1-III user 1 3 # 1 A 191 ASN A 52 ASN.? -6.21 C2 EDO A 111s A 239 ARG A 10 ARG^? -4.66 C1 EDO A 110s A 246 TYR A 53 TYR.? -5.67 C2 EDO A 110s coo 2.50 7.27 18.06 0.76 7.28 16.81 35.15 -18.30 46.67 36.80 -19.55 46.81 coo -1.16 0.95 13.41 -2.50 3.71 13.61 30.66 -12.08 43.31 30.96 -9.43 41.69 coo 1.59 5.18 12.30 -0.74 6.52 11.61 32.28 -15.98 41.58 32.53 -13.67 40.07 ULMN 3 1qaz_c00 ALGINATE LYASE A1-III user 2 3 # 2 A 191 ASN B 52 ASN.? 15.61 O2 EDO B 104 A 239 ARG B 10 ARG^? 18.61 OXT ACT B 102 A 246 TYR B 53 TYR.? 14.89 OXT ACT B 102 coo 2.50 7.27 18.06 0.76 7.28 16.81 14.32 -53.01 -5.43 15.07 -51.80 -6.99 coo -1.16 0.95 13.41 -2.50 3.71 13.61 14.67 -59.33 0.36 16.35 -61.87 0.73 coo 1.59 5.18 12.30 -0.74 6.52 11.61 17.12 -55.21 -0.25 18.76 -57.47 0.21 1qaz_c00 source 1qaz ALGINATE LYASE A1-III : 2 hits 1qaz_c00 naa= 3 ULMN 3 1qgn_c16 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 # 1 A 110 ARG A 68 ARG~? 7.24 O1 EDO A 102 C 163 TYR A 70 TYR~? 4.47 O2 EDO A 103s C 236 ASP A 60 ASP^? 9.96 C2 EDO A 103 coo 39.01 29.77 22.02 37.48 31.30 19.84 26.63 -25.29 20.33 28.77 -23.06 20.70 coo 39.51 34.34 13.63 37.63 32.61 14.79 23.80 -29.17 27.91 24.12 -28.60 30.60 coo 45.78 31.11 9.51 44.25 30.06 10.53 31.34 -34.21 31.28 32.49 -33.56 32.90 ULMN 3 1qgn_c16 CYSTATHIONINE GAMMA-SYNTHASE user 2 3 # 2 A 110 ARG A 68 ARG~? 7.24 O1 EDO A 102 C 163 TYR A 70 TYR~? 4.47 O2 EDO A 103s C 236 ASP A 75 ASP~? -3.37 CL CL A 101s coo 39.01 29.77 22.02 37.48 31.30 19.84 26.63 -25.29 20.33 28.77 -23.06 20.70 coo 39.51 34.34 13.63 37.63 32.61 14.79 23.80 -29.17 27.91 24.12 -28.60 30.60 coo 45.78 31.11 9.51 44.25 30.06 10.53 16.12 -29.42 31.11 14.94 -31.11 31.50 ULMN 3 1qgn_c16 CYSTATHIONINE GAMMA-SYNTHASE user 3 3 # 3 A 110 ARG A 90 ARG^? 3.92 O2 NBZ A 112s C 163 TYR A 53 TYR.? -5.67 C2 EDO A 110s C 236 ASP A 45 ASP.? -3.72 C2 EDO A 111s coo 39.01 29.77 22.02 37.48 31.30 19.84 26.51 -17.50 33.30 27.88 -18.98 30.96 coo 39.51 34.34 13.63 37.63 32.61 14.79 32.28 -15.98 41.58 32.53 -13.67 40.07 coo 45.78 31.11 9.51 44.25 30.06 10.53 31.14 -21.11 47.49 33.11 -20.89 48.17 ULMN 3 1qgn_c16 CYSTATHIONINE GAMMA-SYNTHASE user 4 3 # 4 A 110 ARG B 68 ARG~? 13.19 C1 EDO A 104 C 163 TYR A -3 TYR.? 8.43 O1 EDO A 104 C 236 ASP A 62 ASP^? -3.71 O1 EDO A 104s coo 39.01 29.77 22.02 37.48 31.30 19.84 31.65 -46.03 15.78 32.85 -48.29 14.05 coo 39.51 34.34 13.63 37.63 32.61 14.79 32.49 -44.83 26.57 32.70 -46.37 24.23 coo 45.78 31.11 9.51 44.25 30.06 10.53 29.38 -36.88 23.98 30.56 -38.20 22.76 ULMN 3 1qgn_c16 CYSTATHIONINE GAMMA-SYNTHASE user 5 3 # 5 A 110 ARG B 68 ARG~? 13.19 C1 EDO A 104 C 163 TYR B 70 TYR~? -4.61 O ACT B 102s C 236 ASP B 60 ASP^? 5.67 C1 EDO B 105 coo 39.01 29.77 22.02 37.48 31.30 19.84 31.65 -46.03 15.78 32.85 -48.29 14.05 coo 39.51 34.34 13.63 37.63 32.61 14.79 23.57 -42.42 13.63 21.81 -43.83 12.00 coo 45.78 31.11 9.51 44.25 30.06 10.53 24.76 -37.09 5.99 24.21 -37.69 4.07 ULMN 3 1qgn_c16 CYSTATHIONINE GAMMA-SYNTHASE user 6 3 # 6 A 110 ARG B 90 ARG^? 7.30 OXT ACT B 102 C 163 TYR B 53 TYR.? 14.89 OXT ACT B 102 C 236 ASP B 45 ASP.? 12.26 O2 EDO B 104 coo 39.01 29.77 22.02 37.48 31.30 19.84 20.94 -53.69 9.07 23.65 -52.18 9.23 coo 39.51 34.34 13.63 37.63 32.61 14.79 17.12 -55.21 -0.25 18.76 -57.47 0.21 coo 45.78 31.11 9.51 44.25 30.06 10.53 11.53 -50.18 -2.63 12.16 -50.45 -4.66 ULMN 3 1qgn_c16 CYSTATHIONINE GAMMA-SYNTHASE user 7 3 # 7 A 110 ARG B 90 ARG^? 7.30 OXT ACT B 102 C 163 TYR B 53 TYR.? 14.89 OXT ACT B 102 C 236 ASP B 54 ASP.? 14.05 O2 EDO B 104 coo 39.01 29.77 22.02 37.48 31.30 19.84 20.94 -53.69 9.07 23.65 -52.18 9.23 coo 39.51 34.34 13.63 37.63 32.61 14.79 17.12 -55.21 -0.25 18.76 -57.47 0.21 coo 45.78 31.11 9.51 44.25 30.06 10.53 11.31 -53.68 1.37 10.81 -55.59 0.54 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 68 ARG~? 7.24 O1 EDO A 102 D 163 TYR A 70 TYR~? 4.47 O2 EDO A 103s D 236 ASP A 60 ASP^? 9.96 C2 EDO A 103 coo 23.05 -7.35 32.81 21.30 -7.38 35.33 26.63 -25.29 20.33 28.77 -23.06 20.70 coo 21.28 -11.43 41.42 21.14 -8.83 40.39 23.80 -29.17 27.91 24.12 -28.60 30.60 coo 28.41 -14.31 44.14 27.98 -12.36 43.41 31.34 -34.21 31.28 32.49 -33.56 32.90 ULMN 3 1qgn_c17 CYSTATHIONINE GAMMA-SYNTHASE user 2 3 # 2 B 110 ARG A 68 ARG~? 7.24 O1 EDO A 102 D 163 TYR A 70 TYR~? 4.47 O2 EDO A 103s D 236 ASP A 75 ASP~? -3.37 CL CL A 101s coo 23.05 -7.35 32.81 21.30 -7.38 35.33 26.63 -25.29 20.33 28.77 -23.06 20.70 coo 21.28 -11.43 41.42 21.14 -8.83 40.39 23.80 -29.17 27.91 24.12 -28.60 30.60 coo 28.41 -14.31 44.14 27.98 -12.36 43.41 16.12 -29.42 31.11 14.94 -31.11 31.50 ULMN 3 1qgn_c17 CYSTATHIONINE GAMMA-SYNTHASE user 3 3 # 3 B 110 ARG A 90 ARG^? 3.92 O2 NBZ A 112s D 163 TYR A 53 TYR.? -5.67 C2 EDO A 110s D 236 ASP A 45 ASP.? -3.72 C2 EDO A 111s coo 23.05 -7.35 32.81 21.30 -7.38 35.33 26.51 -17.50 33.30 27.88 -18.98 30.96 coo 21.28 -11.43 41.42 21.14 -8.83 40.39 32.28 -15.98 41.58 32.53 -13.67 40.07 coo 28.41 -14.31 44.14 27.98 -12.36 43.41 31.14 -21.11 47.49 33.11 -20.89 48.17 ULMN 3 1qgn_c17 CYSTATHIONINE GAMMA-SYNTHASE user 4 3 # 4 B 110 ARG B 68 ARG~? 13.19 C1 EDO A 104 D 163 TYR A -3 TYR.? 8.43 O1 EDO A 104 D 236 ASP A 62 ASP^? -3.71 O1 EDO A 104s coo 23.05 -7.35 32.81 21.30 -7.38 35.33 31.65 -46.03 15.78 32.85 -48.29 14.05 coo 21.28 -11.43 41.42 21.14 -8.83 40.39 32.49 -44.83 26.57 32.70 -46.37 24.23 coo 28.41 -14.31 44.14 27.98 -12.36 43.41 29.38 -36.88 23.98 30.56 -38.20 22.76 ULMN 3 1qgn_c17 CYSTATHIONINE GAMMA-SYNTHASE user 5 3 # 5 B 110 ARG B 68 ARG~? 13.19 C1 EDO A 104 D 163 TYR B 70 TYR~? -4.61 O ACT B 102s D 236 ASP B 60 ASP^? 5.67 C1 EDO B 105 coo 23.05 -7.35 32.81 21.30 -7.38 35.33 31.65 -46.03 15.78 32.85 -48.29 14.05 coo 21.28 -11.43 41.42 21.14 -8.83 40.39 23.57 -42.42 13.63 21.81 -43.83 12.00 coo 28.41 -14.31 44.14 27.98 -12.36 43.41 24.76 -37.09 5.99 24.21 -37.69 4.07 ULMN 3 1qgn_c17 CYSTATHIONINE GAMMA-SYNTHASE user 6 3 # 6 B 110 ARG B 90 ARG^? 7.30 OXT ACT B 102 D 163 TYR B 53 TYR.? 14.89 OXT ACT B 102 D 236 ASP B 45 ASP.? 12.26 O2 EDO B 104 coo 23.05 -7.35 32.81 21.30 -7.38 35.33 20.94 -53.69 9.07 23.65 -52.18 9.23 coo 21.28 -11.43 41.42 21.14 -8.83 40.39 17.12 -55.21 -0.25 18.76 -57.47 0.21 coo 28.41 -14.31 44.14 27.98 -12.36 43.41 11.53 -50.18 -2.63 12.16 -50.45 -4.66 ULMN 3 1qgn_c17 CYSTATHIONINE GAMMA-SYNTHASE user 7 3 # 7 B 110 ARG B 90 ARG^? 7.30 OXT ACT B 102 D 163 TYR B 53 TYR.? 14.89 OXT ACT B 102 D 236 ASP B 54 ASP.? 14.05 O2 EDO B 104 coo 23.05 -7.35 32.81 21.30 -7.38 35.33 20.94 -53.69 9.07 23.65 -52.18 9.23 coo 21.28 -11.43 41.42 21.14 -8.83 40.39 17.12 -55.21 -0.25 18.76 -57.47 0.21 coo 28.41 -14.31 44.14 27.98 -12.36 43.41 11.31 -53.68 1.37 10.81 -55.59 0.54 1qgn_c17 source 1qgn CYSTATHIONINE GAMMA-SYNTHASE : 7 hits 1qgn_c17 naa= 3 ULMN 3 1qgn_c18 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 # 1 A 163 TYR A -3 TYR.? 8.43 O1 EDO A 104 A 236 ASP A 62 ASP^? -3.71 O1 EDO A 104s C 110 ARG B 68 ARG~? 13.19 C1 EDO A 104 coo 55.48 26.51 40.65 55.39 23.99 39.43 32.49 -44.83 26.57 32.70 -46.37 24.23 coo 48.87 29.19 44.63 49.10 27.34 43.63 29.38 -36.88 23.98 30.56 -38.20 22.76 coo 52.39 23.42 32.10 54.51 23.27 34.29 31.65 -46.03 15.78 32.85 -48.29 14.05 ULMN 3 1qgn_c18 CYSTATHIONINE GAMMA-SYNTHASE user 2 3 # 2 A 163 TYR A 53 TYR.? -5.67 C2 EDO A 110s A 236 ASP A 45 ASP.? -3.72 C2 EDO A 111s C 110 ARG A 90 ARG^? 3.92 O2 NBZ A 112s coo 55.48 26.51 40.65 55.39 23.99 39.43 32.28 -15.98 41.58 32.53 -13.67 40.07 coo 48.87 29.19 44.63 49.10 27.34 43.63 31.14 -21.11 47.49 33.11 -20.89 48.17 coo 52.39 23.42 32.10 54.51 23.27 34.29 26.51 -17.50 33.30 27.88 -18.98 30.96 ULMN 3 1qgn_c18 CYSTATHIONINE GAMMA-SYNTHASE user 3 3 # 3 A 163 TYR A 70 TYR~? 4.47 O2 EDO A 103s A 236 ASP A 60 ASP^? 9.96 C2 EDO A 103 C 110 ARG A 68 ARG~? 7.24 O1 EDO A 102 coo 55.48 26.51 40.65 55.39 23.99 39.43 23.80 -29.17 27.91 24.12 -28.60 30.60 coo 48.87 29.19 44.63 49.10 27.34 43.63 31.34 -34.21 31.28 32.49 -33.56 32.90 coo 52.39 23.42 32.10 54.51 23.27 34.29 26.63 -25.29 20.33 28.77 -23.06 20.70 ULMN 3 1qgn_c18 CYSTATHIONINE GAMMA-SYNTHASE user 4 3 # 4 A 163 TYR A 70 TYR~? 4.47 O2 EDO A 103s A 236 ASP A 75 ASP~? -3.37 CL CL A 101s C 110 ARG A 68 ARG~? 7.24 O1 EDO A 102 coo 55.48 26.51 40.65 55.39 23.99 39.43 23.80 -29.17 27.91 24.12 -28.60 30.60 coo 48.87 29.19 44.63 49.10 27.34 43.63 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 52.39 23.42 32.10 54.51 23.27 34.29 26.63 -25.29 20.33 28.77 -23.06 20.70 ULMN 3 1qgn_c18 CYSTATHIONINE GAMMA-SYNTHASE user 5 3 # 5 A 163 TYR B 53 TYR.? 14.89 OXT ACT B 102 A 236 ASP B 45 ASP.? 12.26 O2 EDO B 104 C 110 ARG B 90 ARG^? 7.30 OXT ACT B 102 coo 55.48 26.51 40.65 55.39 23.99 39.43 17.12 -55.21 -0.25 18.76 -57.47 0.21 coo 48.87 29.19 44.63 49.10 27.34 43.63 11.53 -50.18 -2.63 12.16 -50.45 -4.66 coo 52.39 23.42 32.10 54.51 23.27 34.29 20.94 -53.69 9.07 23.65 -52.18 9.23 ULMN 3 1qgn_c18 CYSTATHIONINE GAMMA-SYNTHASE user 6 3 # 6 A 163 TYR B 53 TYR.? 14.89 OXT ACT B 102 A 236 ASP B 54 ASP.? 14.05 O2 EDO B 104 C 110 ARG B 90 ARG^? 7.30 OXT ACT B 102 coo 55.48 26.51 40.65 55.39 23.99 39.43 17.12 -55.21 -0.25 18.76 -57.47 0.21 coo 48.87 29.19 44.63 49.10 27.34 43.63 11.31 -53.68 1.37 10.81 -55.59 0.54 coo 52.39 23.42 32.10 54.51 23.27 34.29 20.94 -53.69 9.07 23.65 -52.18 9.23 ULMN 3 1qgn_c18 CYSTATHIONINE GAMMA-SYNTHASE user 7 3 # 7 A 163 TYR B 70 TYR~? -4.61 O ACT B 102s A 236 ASP B 60 ASP^? 5.67 C1 EDO B 105 C 110 ARG B 68 ARG~? 13.19 C1 EDO A 104 coo 55.48 26.51 40.65 55.39 23.99 39.43 23.57 -42.42 13.63 21.81 -43.83 12.00 coo 48.87 29.19 44.63 49.10 27.34 43.63 24.76 -37.09 5.99 24.21 -37.69 4.07 coo 52.39 23.42 32.10 54.51 23.27 34.29 31.65 -46.03 15.78 32.85 -48.29 14.05 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 -3 TYR.? 8.43 O1 EDO A 104 B 236 ASP A 62 ASP^? -3.71 O1 EDO A 104s D 110 ARG B 68 ARG~? 13.19 C1 EDO A 104 coo 32.99 -16.32 11.66 35.01 -14.70 12.72 32.49 -44.83 26.57 32.70 -46.37 24.23 coo 26.18 -12.82 8.91 27.87 -11.87 9.77 29.38 -36.88 23.98 30.56 -38.20 22.76 coo 34.79 -12.60 20.34 35.97 -13.92 17.84 31.65 -46.03 15.78 32.85 -48.29 14.05 ULMN 3 1qgn_c19 CYSTATHIONINE GAMMA-SYNTHASE user 2 3 # 2 B 163 TYR A 53 TYR.? -5.67 C2 EDO A 110s B 236 ASP A 45 ASP.? -3.72 C2 EDO A 111s D 110 ARG A 90 ARG^? 3.92 O2 NBZ A 112s coo 32.99 -16.32 11.66 35.01 -14.70 12.72 32.28 -15.98 41.58 32.53 -13.67 40.07 coo 26.18 -12.82 8.91 27.87 -11.87 9.77 31.14 -21.11 47.49 33.11 -20.89 48.17 coo 34.79 -12.60 20.34 35.97 -13.92 17.84 26.51 -17.50 33.30 27.88 -18.98 30.96 ULMN 3 1qgn_c19 CYSTATHIONINE GAMMA-SYNTHASE user 3 3 # 3 B 163 TYR A 70 TYR~? 4.47 O2 EDO A 103s B 236 ASP A 60 ASP^? 9.96 C2 EDO A 103 D 110 ARG A 68 ARG~? 7.24 O1 EDO A 102 coo 32.99 -16.32 11.66 35.01 -14.70 12.72 23.80 -29.17 27.91 24.12 -28.60 30.60 coo 26.18 -12.82 8.91 27.87 -11.87 9.77 31.34 -34.21 31.28 32.49 -33.56 32.90 coo 34.79 -12.60 20.34 35.97 -13.92 17.84 26.63 -25.29 20.33 28.77 -23.06 20.70 ULMN 3 1qgn_c19 CYSTATHIONINE GAMMA-SYNTHASE user 4 3 # 4 B 163 TYR A 70 TYR~? 4.47 O2 EDO A 103s B 236 ASP A 75 ASP~? -3.37 CL CL A 101s D 110 ARG A 68 ARG~? 7.24 O1 EDO A 102 coo 32.99 -16.32 11.66 35.01 -14.70 12.72 23.80 -29.17 27.91 24.12 -28.60 30.60 coo 26.18 -12.82 8.91 27.87 -11.87 9.77 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 34.79 -12.60 20.34 35.97 -13.92 17.84 26.63 -25.29 20.33 28.77 -23.06 20.70 ULMN 3 1qgn_c19 CYSTATHIONINE GAMMA-SYNTHASE user 5 3 # 5 B 163 TYR B 53 TYR.? 14.89 OXT ACT B 102 B 236 ASP B 45 ASP.? 12.26 O2 EDO B 104 D 110 ARG B 90 ARG^? 7.30 OXT ACT B 102 coo 32.99 -16.32 11.66 35.01 -14.70 12.72 17.12 -55.21 -0.25 18.76 -57.47 0.21 coo 26.18 -12.82 8.91 27.87 -11.87 9.77 11.53 -50.18 -2.63 12.16 -50.45 -4.66 coo 34.79 -12.60 20.34 35.97 -13.92 17.84 20.94 -53.69 9.07 23.65 -52.18 9.23 ULMN 3 1qgn_c19 CYSTATHIONINE GAMMA-SYNTHASE user 6 3 # 6 B 163 TYR B 53 TYR.? 14.89 OXT ACT B 102 B 236 ASP B 54 ASP.? 14.05 O2 EDO B 104 D 110 ARG B 90 ARG^? 7.30 OXT ACT B 102 coo 32.99 -16.32 11.66 35.01 -14.70 12.72 17.12 -55.21 -0.25 18.76 -57.47 0.21 coo 26.18 -12.82 8.91 27.87 -11.87 9.77 11.31 -53.68 1.37 10.81 -55.59 0.54 coo 34.79 -12.60 20.34 35.97 -13.92 17.84 20.94 -53.69 9.07 23.65 -52.18 9.23 ULMN 3 1qgn_c19 CYSTATHIONINE GAMMA-SYNTHASE user 7 3 # 7 B 163 TYR B 70 TYR~? -4.61 O ACT B 102s B 236 ASP B 60 ASP^? 5.67 C1 EDO B 105 D 110 ARG B 68 ARG~? 13.19 C1 EDO A 104 coo 32.99 -16.32 11.66 35.01 -14.70 12.72 23.57 -42.42 13.63 21.81 -43.83 12.00 coo 26.18 -12.82 8.91 27.87 -11.87 9.77 24.76 -37.09 5.99 24.21 -37.69 4.07 coo 34.79 -12.60 20.34 35.97 -13.92 17.84 31.65 -46.03 15.78 32.85 -48.29 14.05 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 68 ARG~? 7.24 O1 EDO A 102 G 163 TYR A 70 TYR~? 4.47 O2 EDO A 103s G 236 ASP A 60 ASP^? 9.96 C2 EDO A 103 coo 60.40 -9.85 -55.76 62.00 -8.48 -58.01 26.63 -25.29 20.33 28.77 -23.06 20.70 coo 64.84 -10.79 -64.16 63.27 -8.78 -63.00 23.80 -29.17 27.91 24.12 -28.60 30.60 coo 61.22 -16.97 -68.13 60.30 -15.38 -67.08 31.34 -34.21 31.28 32.49 -33.56 32.90 ULMN 3 1qgn_c20 CYSTATHIONINE GAMMA-SYNTHASE user 2 3 # 2 E 110 ARG A 68 ARG~? 7.24 O1 EDO A 102 G 163 TYR A 70 TYR~? 4.47 O2 EDO A 103s G 236 ASP A 75 ASP~? -3.37 CL CL A 101s coo 60.40 -9.85 -55.76 62.00 -8.48 -58.01 26.63 -25.29 20.33 28.77 -23.06 20.70 coo 64.84 -10.79 -64.16 63.27 -8.78 -63.00 23.80 -29.17 27.91 24.12 -28.60 30.60 coo 61.22 -16.97 -68.13 60.30 -15.38 -67.08 16.12 -29.42 31.11 14.94 -31.11 31.50 ULMN 3 1qgn_c20 CYSTATHIONINE GAMMA-SYNTHASE user 3 3 # 3 E 110 ARG A 90 ARG^? 3.92 O2 NBZ A 112s G 163 TYR A 53 TYR.? -5.67 C2 EDO A 110s G 236 ASP A 45 ASP.? -3.72 C2 EDO A 111s coo 60.40 -9.85 -55.76 62.00 -8.48 -58.01 26.51 -17.50 33.30 27.88 -18.98 30.96 coo 64.84 -10.79 -64.16 63.27 -8.78 -63.00 32.28 -15.98 41.58 32.53 -13.67 40.07 coo 61.22 -16.97 -68.13 60.30 -15.38 -67.08 31.14 -21.11 47.49 33.11 -20.89 48.17 ULMN 3 1qgn_c20 CYSTATHIONINE GAMMA-SYNTHASE user 4 3 # 4 E 110 ARG B 68 ARG~? 13.19 C1 EDO A 104 G 163 TYR A -3 TYR.? 8.43 O1 EDO A 104 G 236 ASP A 62 ASP^? -3.71 O1 EDO A 104s coo 60.40 -9.85 -55.76 62.00 -8.48 -58.01 31.65 -46.03 15.78 32.85 -48.29 14.05 coo 64.84 -10.79 -64.16 63.27 -8.78 -63.00 32.49 -44.83 26.57 32.70 -46.37 24.23 coo 61.22 -16.97 -68.13 60.30 -15.38 -67.08 29.38 -36.88 23.98 30.56 -38.20 22.76 ULMN 3 1qgn_c20 CYSTATHIONINE GAMMA-SYNTHASE user 5 3 # 5 E 110 ARG B 68 ARG~? 13.19 C1 EDO A 104 G 163 TYR B 70 TYR~? -4.61 O ACT B 102s G 236 ASP B 60 ASP^? 5.67 C1 EDO B 105 coo 60.40 -9.85 -55.76 62.00 -8.48 -58.01 31.65 -46.03 15.78 32.85 -48.29 14.05 coo 64.84 -10.79 -64.16 63.27 -8.78 -63.00 23.57 -42.42 13.63 21.81 -43.83 12.00 coo 61.22 -16.97 -68.13 60.30 -15.38 -67.08 24.76 -37.09 5.99 24.21 -37.69 4.07 ULMN 3 1qgn_c20 CYSTATHIONINE GAMMA-SYNTHASE user 6 3 # 6 E 110 ARG B 90 ARG^? 7.30 OXT ACT B 102 G 163 TYR B 53 TYR.? 14.89 OXT ACT B 102 G 236 ASP B 45 ASP.? 12.26 O2 EDO B 104 coo 60.40 -9.85 -55.76 62.00 -8.48 -58.01 20.94 -53.69 9.07 23.65 -52.18 9.23 coo 64.84 -10.79 -64.16 63.27 -8.78 -63.00 17.12 -55.21 -0.25 18.76 -57.47 0.21 coo 61.22 -16.97 -68.13 60.30 -15.38 -67.08 11.53 -50.18 -2.63 12.16 -50.45 -4.66 ULMN 3 1qgn_c20 CYSTATHIONINE GAMMA-SYNTHASE user 7 3 # 7 E 110 ARG B 90 ARG^? 7.30 OXT ACT B 102 G 163 TYR B 53 TYR.? 14.89 OXT ACT B 102 G 236 ASP B 54 ASP.? 14.05 O2 EDO B 104 coo 60.40 -9.85 -55.76 62.00 -8.48 -58.01 20.94 -53.69 9.07 23.65 -52.18 9.23 coo 64.84 -10.79 -64.16 63.27 -8.78 -63.00 17.12 -55.21 -0.25 18.76 -57.47 0.21 coo 61.22 -16.97 -68.13 60.30 -15.38 -67.08 11.31 -53.68 1.37 10.81 -55.59 0.54 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 68 ARG~? 7.24 O1 EDO A 102 H 163 TYR A 70 TYR~? 4.47 O2 EDO A 103s H 236 ASP A 60 ASP^? 9.96 C2 EDO A 103 coo 24.62 8.71 -44.89 24.77 10.53 -42.42 26.63 -25.29 20.33 28.77 -23.06 20.70 coo 20.90 10.83 -36.23 23.51 10.75 -37.23 23.80 -29.17 27.91 24.12 -28.60 30.60 coo 17.57 3.99 -33.38 19.51 4.24 -34.16 31.34 -34.21 31.28 32.49 -33.56 32.90 ULMN 3 1qgn_c21 CYSTATHIONINE GAMMA-SYNTHASE user 2 3 # 2 F 110 ARG A 68 ARG~? 7.24 O1 EDO A 102 H 163 TYR A 70 TYR~? 4.47 O2 EDO A 103s H 236 ASP A 75 ASP~? -3.37 CL CL A 101s coo 24.62 8.71 -44.89 24.77 10.53 -42.42 26.63 -25.29 20.33 28.77 -23.06 20.70 coo 20.90 10.83 -36.23 23.51 10.75 -37.23 23.80 -29.17 27.91 24.12 -28.60 30.60 coo 17.57 3.99 -33.38 19.51 4.24 -34.16 16.12 -29.42 31.11 14.94 -31.11 31.50 ULMN 3 1qgn_c21 CYSTATHIONINE GAMMA-SYNTHASE user 3 3 # 3 F 110 ARG A 90 ARG^? 3.92 O2 NBZ A 112s H 163 TYR A 53 TYR.? -5.67 C2 EDO A 110s H 236 ASP A 45 ASP.? -3.72 C2 EDO A 111s coo 24.62 8.71 -44.89 24.77 10.53 -42.42 26.51 -17.50 33.30 27.88 -18.98 30.96 coo 20.90 10.83 -36.23 23.51 10.75 -37.23 32.28 -15.98 41.58 32.53 -13.67 40.07 coo 17.57 3.99 -33.38 19.51 4.24 -34.16 31.14 -21.11 47.49 33.11 -20.89 48.17 ULMN 3 1qgn_c21 CYSTATHIONINE GAMMA-SYNTHASE user 4 3 # 4 F 110 ARG B 68 ARG~? 13.19 C1 EDO A 104 H 163 TYR A -3 TYR.? 8.43 O1 EDO A 104 H 236 ASP A 62 ASP^? -3.71 O1 EDO A 104s coo 24.62 8.71 -44.89 24.77 10.53 -42.42 31.65 -46.03 15.78 32.85 -48.29 14.05 coo 20.90 10.83 -36.23 23.51 10.75 -37.23 32.49 -44.83 26.57 32.70 -46.37 24.23 coo 17.57 3.99 -33.38 19.51 4.24 -34.16 29.38 -36.88 23.98 30.56 -38.20 22.76 ULMN 3 1qgn_c21 CYSTATHIONINE GAMMA-SYNTHASE user 5 3 # 5 F 110 ARG B 68 ARG~? 13.19 C1 EDO A 104 H 163 TYR B 70 TYR~? -4.61 O ACT B 102s H 236 ASP B 60 ASP^? 5.67 C1 EDO B 105 coo 24.62 8.71 -44.89 24.77 10.53 -42.42 31.65 -46.03 15.78 32.85 -48.29 14.05 coo 20.90 10.83 -36.23 23.51 10.75 -37.23 23.57 -42.42 13.63 21.81 -43.83 12.00 coo 17.57 3.99 -33.38 19.51 4.24 -34.16 24.76 -37.09 5.99 24.21 -37.69 4.07 ULMN 3 1qgn_c21 CYSTATHIONINE GAMMA-SYNTHASE user 6 3 # 6 F 110 ARG B 90 ARG^? 7.30 OXT ACT B 102 H 163 TYR B 53 TYR.? 14.89 OXT ACT B 102 H 236 ASP B 45 ASP.? 12.26 O2 EDO B 104 coo 24.62 8.71 -44.89 24.77 10.53 -42.42 20.94 -53.69 9.07 23.65 -52.18 9.23 coo 20.90 10.83 -36.23 23.51 10.75 -37.23 17.12 -55.21 -0.25 18.76 -57.47 0.21 coo 17.57 3.99 -33.38 19.51 4.24 -34.16 11.53 -50.18 -2.63 12.16 -50.45 -4.66 ULMN 3 1qgn_c21 CYSTATHIONINE GAMMA-SYNTHASE user 7 3 # 7 F 110 ARG B 90 ARG^? 7.30 OXT ACT B 102 H 163 TYR B 53 TYR.? 14.89 OXT ACT B 102 H 236 ASP B 54 ASP.? 14.05 O2 EDO B 104 coo 24.62 8.71 -44.89 24.77 10.53 -42.42 20.94 -53.69 9.07 23.65 -52.18 9.23 coo 20.90 10.83 -36.23 23.51 10.75 -37.23 17.12 -55.21 -0.25 18.76 -57.47 0.21 coo 17.57 3.99 -33.38 19.51 4.24 -34.16 11.31 -53.68 1.37 10.81 -55.59 0.54 1qgn_c21 source 1qgn CYSTATHIONINE GAMMA-SYNTHASE : 7 hits 1qgn_c21 naa= 3 ULMN 3 1qgn_c22 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 # 1 E 163 TYR A -3 TYR.? 8.43 O1 EDO A 104 E 236 ASP A 62 ASP^? -3.71 O1 EDO A 104s G 110 ARG B 68 ARG~? 13.19 C1 EDO A 104 coo 56.39 -25.68 -36.91 53.88 -25.46 -38.13 32.49 -44.83 26.57 32.70 -46.37 24.23 coo 59.54 -19.27 -32.99 57.70 -19.44 -33.97 29.38 -36.88 23.98 30.56 -38.20 22.76 coo 53.35 -22.70 -45.35 52.95 -24.81 -43.16 31.65 -46.03 15.78 32.85 -48.29 14.05 ULMN 3 1qgn_c22 CYSTATHIONINE GAMMA-SYNTHASE user 2 3 # 2 E 163 TYR A 53 TYR.? -5.67 C2 EDO A 110s E 236 ASP A 45 ASP.? -3.72 C2 EDO A 111s G 110 ARG A 90 ARG^? 3.92 O2 NBZ A 112s coo 56.39 -25.68 -36.91 53.88 -25.46 -38.13 32.28 -15.98 41.58 32.53 -13.67 40.07 coo 59.54 -19.27 -32.99 57.70 -19.44 -33.97 31.14 -21.11 47.49 33.11 -20.89 48.17 coo 53.35 -22.70 -45.35 52.95 -24.81 -43.16 26.51 -17.50 33.30 27.88 -18.98 30.96 ULMN 3 1qgn_c22 CYSTATHIONINE GAMMA-SYNTHASE user 3 3 # 3 E 163 TYR A 53 TYR.? -5.67 C2 EDO A 110s E 236 ASP A 54 ASP.? 2.78 C2 EDO A 108s G 110 ARG A 90 ARG^? 3.92 O2 NBZ A 112s coo 56.39 -25.68 -36.91 53.88 -25.46 -38.13 32.28 -15.98 41.58 32.53 -13.67 40.07 coo 59.54 -19.27 -32.99 57.70 -19.44 -33.97 27.81 -17.65 45.48 28.28 -15.77 46.28 coo 53.35 -22.70 -45.35 52.95 -24.81 -43.16 26.51 -17.50 33.30 27.88 -18.98 30.96 ULMN 3 1qgn_c22 CYSTATHIONINE GAMMA-SYNTHASE user 4 3 # 4 E 163 TYR A 70 TYR~? 4.47 O2 EDO A 103s E 236 ASP A 60 ASP^? 9.96 C2 EDO A 103 G 110 ARG A 68 ARG~? 7.24 O1 EDO A 102 coo 56.39 -25.68 -36.91 53.88 -25.46 -38.13 23.80 -29.17 27.91 24.12 -28.60 30.60 coo 59.54 -19.27 -32.99 57.70 -19.44 -33.97 31.34 -34.21 31.28 32.49 -33.56 32.90 coo 53.35 -22.70 -45.35 52.95 -24.81 -43.16 26.63 -25.29 20.33 28.77 -23.06 20.70 ULMN 3 1qgn_c22 CYSTATHIONINE GAMMA-SYNTHASE user 5 3 # 5 E 163 TYR A 70 TYR~? 4.47 O2 EDO A 103s E 236 ASP A 75 ASP~? -3.37 CL CL A 101s G 110 ARG A 68 ARG~? 7.24 O1 EDO A 102 coo 56.39 -25.68 -36.91 53.88 -25.46 -38.13 23.80 -29.17 27.91 24.12 -28.60 30.60 coo 59.54 -19.27 -32.99 57.70 -19.44 -33.97 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 53.35 -22.70 -45.35 52.95 -24.81 -43.16 26.63 -25.29 20.33 28.77 -23.06 20.70 ULMN 3 1qgn_c22 CYSTATHIONINE GAMMA-SYNTHASE user 6 3 # 6 E 163 TYR B 53 TYR.? 14.89 OXT ACT B 102 E 236 ASP B 45 ASP.? 12.26 O2 EDO B 104 G 110 ARG B 90 ARG^? 7.30 OXT ACT B 102 coo 56.39 -25.68 -36.91 53.88 -25.46 -38.13 17.12 -55.21 -0.25 18.76 -57.47 0.21 coo 59.54 -19.27 -32.99 57.70 -19.44 -33.97 11.53 -50.18 -2.63 12.16 -50.45 -4.66 coo 53.35 -22.70 -45.35 52.95 -24.81 -43.16 20.94 -53.69 9.07 23.65 -52.18 9.23 ULMN 3 1qgn_c22 CYSTATHIONINE GAMMA-SYNTHASE user 7 3 # 7 E 163 TYR B 53 TYR.? 14.89 OXT ACT B 102 E 236 ASP B 54 ASP.? 14.05 O2 EDO B 104 G 110 ARG B 90 ARG^? 7.30 OXT ACT B 102 coo 56.39 -25.68 -36.91 53.88 -25.46 -38.13 17.12 -55.21 -0.25 18.76 -57.47 0.21 coo 59.54 -19.27 -32.99 57.70 -19.44 -33.97 11.31 -53.68 1.37 10.81 -55.59 0.54 coo 53.35 -22.70 -45.35 52.95 -24.81 -43.16 20.94 -53.69 9.07 23.65 -52.18 9.23 ULMN 3 1qgn_c22 CYSTATHIONINE GAMMA-SYNTHASE user 8 3 # 8 E 163 TYR B 70 TYR~? -4.61 O ACT B 102s E 236 ASP B 60 ASP^? 5.67 C1 EDO B 105 G 110 ARG B 68 ARG~? 13.19 C1 EDO A 104 coo 56.39 -25.68 -36.91 53.88 -25.46 -38.13 23.57 -42.42 13.63 21.81 -43.83 12.00 coo 59.54 -19.27 -32.99 57.70 -19.44 -33.97 24.76 -37.09 5.99 24.21 -37.69 4.07 coo 53.35 -22.70 -45.35 52.95 -24.81 -43.16 31.65 -46.03 15.78 32.85 -48.29 14.05 1qgn_c22 source 1qgn CYSTATHIONINE GAMMA-SYNTHASE : 8 hits 1qgn_c22 naa= 3 ULMN 3 1qgn_c23 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 # 1 F 163 TYR A -3 TYR.? 8.43 O1 EDO A 104 F 236 ASP A 62 ASP^? -3.71 O1 EDO A 104s H 110 ARG B 68 ARG~? 13.19 C1 EDO A 104 coo 14.88 -1.19 -65.80 16.37 -3.30 -64.72 32.49 -44.83 26.57 32.70 -46.37 24.23 coo 18.75 5.49 -68.65 19.58 3.75 -67.80 29.38 -36.88 23.98 30.56 -38.20 22.76 coo 18.56 -3.01 -57.11 17.14 -4.14 -59.58 31.65 -46.03 15.78 32.85 -48.29 14.05 ULMN 3 1qgn_c23 CYSTATHIONINE GAMMA-SYNTHASE user 2 3 # 2 F 163 TYR A 53 TYR.? -5.67 C2 EDO A 110s F 236 ASP A 45 ASP.? -3.72 C2 EDO A 111s H 110 ARG A 90 ARG^? 3.92 O2 NBZ A 112s coo 14.88 -1.19 -65.80 16.37 -3.30 -64.72 32.28 -15.98 41.58 32.53 -13.67 40.07 coo 18.75 5.49 -68.65 19.58 3.75 -67.80 31.14 -21.11 47.49 33.11 -20.89 48.17 coo 18.56 -3.01 -57.11 17.14 -4.14 -59.58 26.51 -17.50 33.30 27.88 -18.98 30.96 ULMN 3 1qgn_c23 CYSTATHIONINE GAMMA-SYNTHASE user 3 3 # 3 F 163 TYR A 70 TYR~? 4.47 O2 EDO A 103s F 236 ASP A 60 ASP^? 9.96 C2 EDO A 103 H 110 ARG A 68 ARG~? 7.24 O1 EDO A 102 coo 14.88 -1.19 -65.80 16.37 -3.30 -64.72 23.80 -29.17 27.91 24.12 -28.60 30.60 coo 18.75 5.49 -68.65 19.58 3.75 -67.80 31.34 -34.21 31.28 32.49 -33.56 32.90 coo 18.56 -3.01 -57.11 17.14 -4.14 -59.58 26.63 -25.29 20.33 28.77 -23.06 20.70 ULMN 3 1qgn_c23 CYSTATHIONINE GAMMA-SYNTHASE user 4 3 # 4 F 163 TYR A 70 TYR~? 4.47 O2 EDO A 103s F 236 ASP A 75 ASP~? -3.37 CL CL A 101s H 110 ARG A 68 ARG~? 7.24 O1 EDO A 102 coo 14.88 -1.19 -65.80 16.37 -3.30 -64.72 23.80 -29.17 27.91 24.12 -28.60 30.60 coo 18.75 5.49 -68.65 19.58 3.75 -67.80 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 18.56 -3.01 -57.11 17.14 -4.14 -59.58 26.63 -25.29 20.33 28.77 -23.06 20.70 ULMN 3 1qgn_c23 CYSTATHIONINE GAMMA-SYNTHASE user 5 3 # 5 F 163 TYR B 53 TYR.? 14.89 OXT ACT B 102 F 236 ASP B 45 ASP.? 12.26 O2 EDO B 104 H 110 ARG B 90 ARG^? 7.30 OXT ACT B 102 coo 14.88 -1.19 -65.80 16.37 -3.30 -64.72 17.12 -55.21 -0.25 18.76 -57.47 0.21 coo 18.75 5.49 -68.65 19.58 3.75 -67.80 11.53 -50.18 -2.63 12.16 -50.45 -4.66 coo 18.56 -3.01 -57.11 17.14 -4.14 -59.58 20.94 -53.69 9.07 23.65 -52.18 9.23 ULMN 3 1qgn_c23 CYSTATHIONINE GAMMA-SYNTHASE user 6 3 # 6 F 163 TYR B 53 TYR.? 14.89 OXT ACT B 102 F 236 ASP B 54 ASP.? 14.05 O2 EDO B 104 H 110 ARG B 90 ARG^? 7.30 OXT ACT B 102 coo 14.88 -1.19 -65.80 16.37 -3.30 -64.72 17.12 -55.21 -0.25 18.76 -57.47 0.21 coo 18.75 5.49 -68.65 19.58 3.75 -67.80 11.31 -53.68 1.37 10.81 -55.59 0.54 coo 18.56 -3.01 -57.11 17.14 -4.14 -59.58 20.94 -53.69 9.07 23.65 -52.18 9.23 ULMN 3 1qgn_c23 CYSTATHIONINE GAMMA-SYNTHASE user 7 3 # 7 F 163 TYR B 70 TYR~? -4.61 O ACT B 102s F 236 ASP B 60 ASP^? 5.67 C1 EDO B 105 H 110 ARG B 68 ARG~? 13.19 C1 EDO A 104 coo 14.88 -1.19 -65.80 16.37 -3.30 -64.72 23.57 -42.42 13.63 21.81 -43.83 12.00 coo 18.75 5.49 -68.65 19.58 3.75 -67.80 24.76 -37.09 5.99 24.21 -37.69 4.07 coo 18.56 -3.01 -57.11 17.14 -4.14 -59.58 31.65 -46.03 15.78 32.85 -48.29 14.05 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 18 ASP~? 14.69 C1 EDO A 108 A 147 THR A 16 THR~? 10.29 C1 EDO A 108 A 294 ASP A 54 ASP.? 2.78 C2 EDO A 108s coo 1.13 15.67 -24.51 2.35 14.34 -25.71 14.49 -20.29 50.53 14.14 -20.83 52.57 coo 6.09 11.55 -27.32 4.75 13.20 -27.33 18.27 -15.79 49.86 16.11 -15.41 49.76 coo 14.48 16.57 -21.30 13.03 16.83 -22.81 27.81 -17.65 45.48 28.28 -15.77 46.28 ULMN 3 1qgx_c02 3',5'-ADENOSINE BISPHOSPHATASE user 2 3 # 2 A 49 ASP B 18 ASP~? 14.77 C2 EDO B 104 A 147 THR B 16 THR~? 16.70 C2 EDO B 104 A 294 ASP B 54 ASP.? 14.05 O2 EDO B 104 coo 1.13 15.67 -24.51 2.35 14.34 -25.71 0.05 -51.34 10.14 -1.88 -50.79 9.49 coo 6.09 11.55 -27.32 4.75 13.20 -27.33 2.66 -55.54 7.23 1.64 -56.00 9.09 coo 14.48 16.57 -21.30 13.03 16.83 -22.81 11.31 -53.68 1.37 10.81 -55.59 0.54 1qgx_c02 source 1qgx 3',5'-ADENOSINE BISPHOSPHATASE : 2 hits 1qgx_c02 naa= 3 ULMN 3 1qho_c04 ALPHA-AMYLASE user 1 3 # 1 A 228 ASP A 62 ASP^? -3.71 O1 EDO A 104s A 256 GLU B 36 GLU.? 4.68 C1 EDO A 104 A 329 ASP B 65 ASP~? 10.18 C1 EDO A 104 coo 28.46 69.88 26.74 30.40 70.70 26.53 29.38 -36.88 23.98 30.56 -38.20 22.76 coo 30.54 71.65 32.58 31.73 72.26 30.92 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 37.87 70.12 31.80 36.61 69.74 30.15 33.69 -38.88 16.48 35.60 -39.38 17.27 ULMN 3 1qho_c04 ALPHA-AMYLASE user 2 3 # 2 A 228 ASP A 62 ASP^? -3.71 O1 EDO A 104s A 256 GLU B 36 GLU.? 4.68 C1 EDO A 104 A 329 ASP B 72 ASP~? -3.91 O2 EDO A 104s coo 28.46 69.88 26.74 30.40 70.70 26.53 29.38 -36.88 23.98 30.56 -38.20 22.76 coo 30.54 71.65 32.58 31.73 72.26 30.92 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 37.87 70.12 31.80 36.61 69.74 30.15 26.38 -44.91 20.83 26.53 -45.26 22.94 ULMN 3 1qho_c04 ALPHA-AMYLASE user 3 3 # 3 A 228 ASP A 65 ASP~? 10.10 C1 EDO A 104 A 256 GLU B 36 GLU.? 4.68 C1 EDO A 104 A 329 ASP B 65 ASP~? 10.18 C1 EDO A 104 coo 28.46 69.88 26.74 30.40 70.70 26.53 26.58 -32.44 17.88 27.18 -32.00 15.88 coo 30.54 71.65 32.58 31.73 72.26 30.92 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 37.87 70.12 31.80 36.61 69.74 30.15 33.69 -38.88 16.48 35.60 -39.38 17.27 ULMN 3 1qho_c04 ALPHA-AMYLASE user 4 3 # 4 A 228 ASP B 65 ASP~? 10.18 C1 EDO A 104 A 256 GLU B 36 GLU.? 4.68 C1 EDO A 104 A 329 ASP A 62 ASP^? -3.71 O1 EDO A 104s coo 28.46 69.88 26.74 30.40 70.70 26.53 33.69 -38.88 16.48 35.60 -39.38 17.27 coo 30.54 71.65 32.58 31.73 72.26 30.92 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 37.87 70.12 31.80 36.61 69.74 30.15 29.38 -36.88 23.98 30.56 -38.20 22.76 ULMN 3 1qho_c04 ALPHA-AMYLASE user 5 3 # 5 A 228 ASP B 65 ASP~? 10.18 C1 EDO A 104 A 256 GLU B 36 GLU.? 4.68 C1 EDO A 104 A 329 ASP B 72 ASP~? -3.91 O2 EDO A 104s coo 28.46 69.88 26.74 30.40 70.70 26.53 33.69 -38.88 16.48 35.60 -39.38 17.27 coo 30.54 71.65 32.58 31.73 72.26 30.92 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 37.87 70.12 31.80 36.61 69.74 30.15 26.38 -44.91 20.83 26.53 -45.26 22.94 1qho_c04 source 1qho ALPHA-AMYLASE : 5 hits 1qho_c04 naa= 3 ULMN 3 1qho_c05 ALPHA-AMYLASE user 1 3 # 1 A 228 ASP A 62 ASP^? -3.71 O1 EDO A 104s A 261 ASP B 60 ASP^? 5.67 C1 EDO B 105 A 329 ASP B 65 ASP~? 10.18 C1 EDO A 104 coo 28.46 69.88 26.74 30.40 70.70 26.53 29.38 -36.88 23.98 30.56 -38.20 22.76 coo 34.02 79.89 42.60 34.73 78.01 41.86 24.76 -37.09 5.99 24.21 -37.69 4.07 coo 37.87 70.12 31.80 36.61 69.74 30.15 33.69 -38.88 16.48 35.60 -39.38 17.27 ULMN 3 1qho_c05 ALPHA-AMYLASE user 2 3 # 2 A 228 ASP A 62 ASP^? -3.71 O1 EDO A 104s A 261 ASP B 60 ASP^? 5.67 C1 EDO B 105 A 329 ASP B 72 ASP~? -3.91 O2 EDO A 104s coo 28.46 69.88 26.74 30.40 70.70 26.53 29.38 -36.88 23.98 30.56 -38.20 22.76 coo 34.02 79.89 42.60 34.73 78.01 41.86 24.76 -37.09 5.99 24.21 -37.69 4.07 coo 37.87 70.12 31.80 36.61 69.74 30.15 26.38 -44.91 20.83 26.53 -45.26 22.94 ULMN 3 1qho_c05 ALPHA-AMYLASE user 3 3 # 3 A 228 ASP A 89 ASP^? -2.90 O1 EDO A 107s A 261 ASP A 18 ASP~? 14.69 C1 EDO A 108 A 329 ASP A 54 ASP.? 2.78 C2 EDO A 108s coo 28.46 69.88 26.74 30.40 70.70 26.53 29.57 -11.85 38.15 30.81 -11.99 36.52 coo 34.02 79.89 42.60 34.73 78.01 41.86 14.49 -20.29 50.53 14.14 -20.83 52.57 coo 37.87 70.12 31.80 36.61 69.74 30.15 27.81 -17.65 45.48 28.28 -15.77 46.28 ULMN 3 1qho_c05 ALPHA-AMYLASE user 4 3 # 4 A 228 ASP B 65 ASP~? 10.18 C1 EDO A 104 A 261 ASP A 72 ASP~? 9.41 O1 EDO A 102 A 329 ASP A 62 ASP^? -3.71 O1 EDO A 104s coo 28.46 69.88 26.74 30.40 70.70 26.53 33.69 -38.88 16.48 35.60 -39.38 17.27 coo 34.02 79.89 42.60 34.73 78.01 41.86 19.04 -26.10 21.93 20.11 -24.78 20.72 coo 37.87 70.12 31.80 36.61 69.74 30.15 29.38 -36.88 23.98 30.56 -38.20 22.76 ULMN 3 1qho_c05 ALPHA-AMYLASE user 5 3 # 5 A 228 ASP B 65 ASP~? 10.18 C1 EDO A 104 A 261 ASP B 75 ASP~? 7.34 C2 EDO A 105 A 329 ASP A 62 ASP^? -3.71 O1 EDO A 104s coo 28.46 69.88 26.74 30.40 70.70 26.53 33.69 -38.88 16.48 35.60 -39.38 17.27 coo 34.02 79.89 42.60 34.73 78.01 41.86 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 37.87 70.12 31.80 36.61 69.74 30.15 29.38 -36.88 23.98 30.56 -38.20 22.76 ULMN 3 1qho_c05 ALPHA-AMYLASE user 6 3 # 6 A 228 ASP B 65 ASP~? 10.18 C1 EDO A 104 A 261 ASP B 75 ASP~? 7.34 C2 EDO A 105 A 329 ASP A 65 ASP~? 10.10 C1 EDO A 104 coo 28.46 69.88 26.74 30.40 70.70 26.53 33.69 -38.88 16.48 35.60 -39.38 17.27 coo 34.02 79.89 42.60 34.73 78.01 41.86 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 37.87 70.12 31.80 36.61 69.74 30.15 26.58 -32.44 17.88 27.18 -32.00 15.88 ULMN 3 1qho_c05 ALPHA-AMYLASE user 7 3 # 7 A 228 ASP B 72 ASP~? -3.91 O2 EDO A 104s A 261 ASP A 72 ASP~? 9.41 O1 EDO A 102 A 329 ASP A 62 ASP^? -3.71 O1 EDO A 104s coo 28.46 69.88 26.74 30.40 70.70 26.53 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 34.02 79.89 42.60 34.73 78.01 41.86 19.04 -26.10 21.93 20.11 -24.78 20.72 coo 37.87 70.12 31.80 36.61 69.74 30.15 29.38 -36.88 23.98 30.56 -38.20 22.76 ULMN 3 1qho_c05 ALPHA-AMYLASE user 8 3 # 8 A 228 ASP B 72 ASP~? -3.91 O2 EDO A 104s A 261 ASP A 72 ASP~? 9.41 O1 EDO A 102 A 329 ASP B 75 ASP~? 7.34 C2 EDO A 105 coo 28.46 69.88 26.74 30.40 70.70 26.53 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 34.02 79.89 42.60 34.73 78.01 41.86 19.04 -26.10 21.93 20.11 -24.78 20.72 coo 37.87 70.12 31.80 36.61 69.74 30.15 16.30 -41.75 19.83 15.36 -40.72 21.44 ULMN 3 1qho_c05 ALPHA-AMYLASE user 9 3 # 9 A 228 ASP B 72 ASP~? -3.91 O2 EDO A 104s A 261 ASP A 75 ASP~? -3.37 CL CL A 101s A 329 ASP A 62 ASP^? -3.71 O1 EDO A 104s coo 28.46 69.88 26.74 30.40 70.70 26.53 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 34.02 79.89 42.60 34.73 78.01 41.86 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 37.87 70.12 31.80 36.61 69.74 30.15 29.38 -36.88 23.98 30.56 -38.20 22.76 ULMN 3 1qho_c05 ALPHA-AMYLASE user 10 3 # 10 A 228 ASP B 72 ASP~? -3.91 O2 EDO A 104s A 261 ASP A 75 ASP~? -3.37 CL CL A 101s A 329 ASP B 75 ASP~? 7.34 C2 EDO A 105 coo 28.46 69.88 26.74 30.40 70.70 26.53 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 34.02 79.89 42.60 34.73 78.01 41.86 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 37.87 70.12 31.80 36.61 69.74 30.15 16.30 -41.75 19.83 15.36 -40.72 21.44 ULMN 3 1qho_c05 ALPHA-AMYLASE user 11 3 # 11 A 228 ASP B 75 ASP~? 7.34 C2 EDO A 105 A 261 ASP A 60 ASP^? 9.96 C2 EDO A 103 A 329 ASP B 72 ASP~? -3.91 O2 EDO A 104s coo 28.46 69.88 26.74 30.40 70.70 26.53 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 34.02 79.89 42.60 34.73 78.01 41.86 31.34 -34.21 31.28 32.49 -33.56 32.90 coo 37.87 70.12 31.80 36.61 69.74 30.15 26.38 -44.91 20.83 26.53 -45.26 22.94 ULMN 3 1qho_c05 ALPHA-AMYLASE user 12 3 # 12 A 228 ASP B 75 ASP~? 7.34 C2 EDO A 105 A 261 ASP B 62 ASP^? 10.84 C1 EDO B 105 A 329 ASP B 72 ASP~? -3.91 O2 EDO A 104s coo 28.46 69.88 26.74 30.40 70.70 26.53 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 34.02 79.89 42.60 34.73 78.01 41.86 30.23 -34.29 11.39 31.86 -33.00 11.08 coo 37.87 70.12 31.80 36.61 69.74 30.15 26.38 -44.91 20.83 26.53 -45.26 22.94 ULMN 3 1qho_c05 ALPHA-AMYLASE user 13 3 # 13 A 228 ASP B 89 ASP^? 14.56 OXT ACT B 102 A 261 ASP B 18 ASP~? 14.77 C2 EDO B 104 A 329 ASP B 54 ASP.? 14.05 O2 EDO B 104 coo 28.46 69.88 26.74 30.40 70.70 26.53 18.24 -59.30 3.92 20.30 -59.15 3.66 coo 34.02 79.89 42.60 34.73 78.01 41.86 0.05 -51.34 10.14 -1.88 -50.79 9.49 coo 37.87 70.12 31.80 36.61 69.74 30.15 11.31 -53.68 1.37 10.81 -55.59 0.54 1qho_c05 source 1qho ALPHA-AMYLASE : 13 hits 1qho_c05 naa= 3 ULMN 3 1qho_c07 ALPHA-AMYLASE user 1 3 # 1 A 228 ASP A 13 ASP.? 6.05 O1 EDO A 108 A 260 ASP A 18 ASP~? 14.69 C1 EDO A 108 A 329 ASP A 54 ASP.? 2.78 C2 EDO A 108s coo 28.46 69.88 26.74 30.40 70.70 26.53 21.76 -7.39 47.19 23.64 -6.46 47.40 coo 30.73 81.29 37.61 31.23 82.07 35.69 14.49 -20.29 50.53 14.14 -20.83 52.57 coo 37.87 70.12 31.80 36.61 69.74 30.15 27.81 -17.65 45.48 28.28 -15.77 46.28 ULMN 3 1qho_c07 ALPHA-AMYLASE user 2 3 # 2 A 228 ASP A 54 ASP.? 2.78 C2 EDO A 108s A 260 ASP A 18 ASP~? 14.69 C1 EDO A 108 A 329 ASP A 13 ASP.? 6.05 O1 EDO A 108 coo 28.46 69.88 26.74 30.40 70.70 26.53 27.81 -17.65 45.48 28.28 -15.77 46.28 coo 30.73 81.29 37.61 31.23 82.07 35.69 14.49 -20.29 50.53 14.14 -20.83 52.57 coo 37.87 70.12 31.80 36.61 69.74 30.15 21.76 -7.39 47.19 23.64 -6.46 47.40 ULMN 3 1qho_c07 ALPHA-AMYLASE user 3 3 # 3 A 228 ASP A 65 ASP~? 10.10 C1 EDO A 104 A 260 ASP A 60 ASP^? 9.96 C2 EDO A 103 A 329 ASP B 65 ASP~? 10.18 C1 EDO A 104 coo 28.46 69.88 26.74 30.40 70.70 26.53 26.58 -32.44 17.88 27.18 -32.00 15.88 coo 30.73 81.29 37.61 31.23 82.07 35.69 31.34 -34.21 31.28 32.49 -33.56 32.90 coo 37.87 70.12 31.80 36.61 69.74 30.15 33.69 -38.88 16.48 35.60 -39.38 17.27 ULMN 3 1qho_c07 ALPHA-AMYLASE user 4 3 # 4 A 228 ASP A 65 ASP~? 10.10 C1 EDO A 104 A 260 ASP B 75 ASP~? 7.34 C2 EDO A 105 A 329 ASP A 72 ASP~? 9.41 O1 EDO A 102 coo 28.46 69.88 26.74 30.40 70.70 26.53 26.58 -32.44 17.88 27.18 -32.00 15.88 coo 30.73 81.29 37.61 31.23 82.07 35.69 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 37.87 70.12 31.80 36.61 69.74 30.15 19.04 -26.10 21.93 20.11 -24.78 20.72 ULMN 3 1qho_c07 ALPHA-AMYLASE user 5 3 # 5 A 228 ASP A 72 ASP~? 9.41 O1 EDO A 102 A 260 ASP A 60 ASP^? 9.96 C2 EDO A 103 A 329 ASP A 65 ASP~? 10.10 C1 EDO A 104 coo 28.46 69.88 26.74 30.40 70.70 26.53 19.04 -26.10 21.93 20.11 -24.78 20.72 coo 30.73 81.29 37.61 31.23 82.07 35.69 31.34 -34.21 31.28 32.49 -33.56 32.90 coo 37.87 70.12 31.80 36.61 69.74 30.15 26.58 -32.44 17.88 27.18 -32.00 15.88 ULMN 3 1qho_c07 ALPHA-AMYLASE user 6 3 # 6 A 228 ASP A 72 ASP~? 9.41 O1 EDO A 102 A 260 ASP A 60 ASP^? 9.96 C2 EDO A 103 A 329 ASP A 75 ASP~? -3.37 CL CL A 101s coo 28.46 69.88 26.74 30.40 70.70 26.53 19.04 -26.10 21.93 20.11 -24.78 20.72 coo 30.73 81.29 37.61 31.23 82.07 35.69 31.34 -34.21 31.28 32.49 -33.56 32.90 coo 37.87 70.12 31.80 36.61 69.74 30.15 16.12 -29.42 31.11 14.94 -31.11 31.50 ULMN 3 1qho_c07 ALPHA-AMYLASE user 7 3 # 7 A 228 ASP A 72 ASP~? 9.41 O1 EDO A 102 A 260 ASP B 75 ASP~? 7.34 C2 EDO A 105 A 329 ASP A 65 ASP~? 10.10 C1 EDO A 104 coo 28.46 69.88 26.74 30.40 70.70 26.53 19.04 -26.10 21.93 20.11 -24.78 20.72 coo 30.73 81.29 37.61 31.23 82.07 35.69 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 37.87 70.12 31.80 36.61 69.74 30.15 26.58 -32.44 17.88 27.18 -32.00 15.88 ULMN 3 1qho_c07 ALPHA-AMYLASE user 8 3 # 8 A 228 ASP A 75 ASP~? -3.37 CL CL A 101s A 260 ASP A 62 ASP^? -3.71 O1 EDO A 104s A 329 ASP A 72 ASP~? 9.41 O1 EDO A 102 coo 28.46 69.88 26.74 30.40 70.70 26.53 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 30.73 81.29 37.61 31.23 82.07 35.69 29.38 -36.88 23.98 30.56 -38.20 22.76 coo 37.87 70.12 31.80 36.61 69.74 30.15 19.04 -26.10 21.93 20.11 -24.78 20.72 ULMN 3 1qho_c07 ALPHA-AMYLASE user 9 3 # 9 A 228 ASP A 75 ASP~? -3.37 CL CL A 101s A 260 ASP B 75 ASP~? 7.34 C2 EDO A 105 A 329 ASP A 72 ASP~? 9.41 O1 EDO A 102 coo 28.46 69.88 26.74 30.40 70.70 26.53 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 30.73 81.29 37.61 31.23 82.07 35.69 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 37.87 70.12 31.80 36.61 69.74 30.15 19.04 -26.10 21.93 20.11 -24.78 20.72 ULMN 3 1qho_c07 ALPHA-AMYLASE user 10 3 # 10 A 228 ASP B 13 ASP.? 22.26 CH3 ACT B 102 A 260 ASP B 18 ASP~? 14.77 C2 EDO B 104 A 329 ASP B 54 ASP.? 14.05 O2 EDO B 104 coo 28.46 69.88 26.74 30.40 70.70 26.53 6.46 -63.72 5.72 6.54 -64.46 3.76 coo 30.73 81.29 37.61 31.23 82.07 35.69 0.05 -51.34 10.14 -1.88 -50.79 9.49 coo 37.87 70.12 31.80 36.61 69.74 30.15 11.31 -53.68 1.37 10.81 -55.59 0.54 ULMN 3 1qho_c07 ALPHA-AMYLASE user 11 3 # 11 A 228 ASP B 54 ASP.? 14.05 O2 EDO B 104 A 260 ASP B 18 ASP~? 14.77 C2 EDO B 104 A 329 ASP B 13 ASP.? 22.26 CH3 ACT B 102 coo 28.46 69.88 26.74 30.40 70.70 26.53 11.31 -53.68 1.37 10.81 -55.59 0.54 coo 30.73 81.29 37.61 31.23 82.07 35.69 0.05 -51.34 10.14 -1.88 -50.79 9.49 coo 37.87 70.12 31.80 36.61 69.74 30.15 6.46 -63.72 5.72 6.54 -64.46 3.76 ULMN 3 1qho_c07 ALPHA-AMYLASE user 12 3 # 12 A 228 ASP B 65 ASP~? 10.18 C1 EDO A 104 A 260 ASP A 60 ASP^? 9.96 C2 EDO A 103 A 329 ASP A 65 ASP~? 10.10 C1 EDO A 104 coo 28.46 69.88 26.74 30.40 70.70 26.53 33.69 -38.88 16.48 35.60 -39.38 17.27 coo 30.73 81.29 37.61 31.23 82.07 35.69 31.34 -34.21 31.28 32.49 -33.56 32.90 coo 37.87 70.12 31.80 36.61 69.74 30.15 26.58 -32.44 17.88 27.18 -32.00 15.88 ULMN 3 1qho_c07 ALPHA-AMYLASE user 13 3 # 13 A 228 ASP B 65 ASP~? 10.18 C1 EDO A 104 A 260 ASP A 60 ASP^? 9.96 C2 EDO A 103 A 329 ASP B 72 ASP~? -3.91 O2 EDO A 104s coo 28.46 69.88 26.74 30.40 70.70 26.53 33.69 -38.88 16.48 35.60 -39.38 17.27 coo 30.73 81.29 37.61 31.23 82.07 35.69 31.34 -34.21 31.28 32.49 -33.56 32.90 coo 37.87 70.12 31.80 36.61 69.74 30.15 26.38 -44.91 20.83 26.53 -45.26 22.94 ULMN 3 1qho_c07 ALPHA-AMYLASE user 14 3 # 14 A 228 ASP B 72 ASP~? -3.91 O2 EDO A 104s A 260 ASP A 60 ASP^? 9.96 C2 EDO A 103 A 329 ASP B 65 ASP~? 10.18 C1 EDO A 104 coo 28.46 69.88 26.74 30.40 70.70 26.53 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 30.73 81.29 37.61 31.23 82.07 35.69 31.34 -34.21 31.28 32.49 -33.56 32.90 coo 37.87 70.12 31.80 36.61 69.74 30.15 33.69 -38.88 16.48 35.60 -39.38 17.27 ULMN 3 1qho_c07 ALPHA-AMYLASE user 15 3 # 15 A 228 ASP B 72 ASP~? -3.91 O2 EDO A 104s A 260 ASP B 60 ASP^? 5.67 C1 EDO B 105 A 329 ASP B 65 ASP~? 10.18 C1 EDO A 104 coo 28.46 69.88 26.74 30.40 70.70 26.53 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 30.73 81.29 37.61 31.23 82.07 35.69 24.76 -37.09 5.99 24.21 -37.69 4.07 coo 37.87 70.12 31.80 36.61 69.74 30.15 33.69 -38.88 16.48 35.60 -39.38 17.27 ULMN 3 1qho_c07 ALPHA-AMYLASE user 16 3 # 16 A 228 ASP B 72 ASP~? -3.91 O2 EDO A 104s A 260 ASP B 62 ASP^? 10.84 C1 EDO B 105 A 329 ASP A 62 ASP^? -3.71 O1 EDO A 104s coo 28.46 69.88 26.74 30.40 70.70 26.53 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 30.73 81.29 37.61 31.23 82.07 35.69 30.23 -34.29 11.39 31.86 -33.00 11.08 coo 37.87 70.12 31.80 36.61 69.74 30.15 29.38 -36.88 23.98 30.56 -38.20 22.76 ULMN 3 1qho_c07 ALPHA-AMYLASE user 17 3 # 17 A 228 ASP B 75 ASP~? 7.34 C2 EDO A 105 A 260 ASP A 65 ASP~? 10.10 C1 EDO A 104 A 329 ASP B 72 ASP~? -3.91 O2 EDO A 104s coo 28.46 69.88 26.74 30.40 70.70 26.53 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 30.73 81.29 37.61 31.23 82.07 35.69 26.58 -32.44 17.88 27.18 -32.00 15.88 coo 37.87 70.12 31.80 36.61 69.74 30.15 26.38 -44.91 20.83 26.53 -45.26 22.94 1qho_c07 source 1qho ALPHA-AMYLASE : 17 hits 1qho_c07 naa= 3 ULMN 3 1qol_c00 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 # 1 A 51 ALA A 32 ALA.? -5.14 O2 EDO A 103s A 148 HIS A 73 HIS~? -4.02 O2 EDO A 105s A 163 ASP A 72 ASP~? 9.41 O1 EDO A 102 coo 1.42 19.18 21.84 1.11 19.57 23.28 18.89 -31.60 30.32 19.49 -30.34 29.72 coo 0.71 19.67 27.92 2.43 19.16 26.83 17.06 -30.49 26.75 15.82 -32.02 27.49 coo 7.15 16.22 27.50 6.15 18.00 27.94 19.04 -26.10 21.93 20.11 -24.78 20.72 ULMN 3 1qol_c00 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 2 3 # 2 A 51 ALA A 32 ALA.? -5.14 O2 EDO A 103s A 148 HIS A 76 HIS~? 3.91 O2 EDO A 102s A 163 ASP A 72 ASP~? 9.41 O1 EDO A 102 coo 1.42 19.18 21.84 1.11 19.57 23.28 18.89 -31.60 30.32 19.49 -30.34 29.72 coo 0.71 19.67 27.92 2.43 19.16 26.83 20.68 -25.44 29.29 22.44 -24.37 29.64 coo 7.15 16.22 27.50 6.15 18.00 27.94 19.04 -26.10 21.93 20.11 -24.78 20.72 ULMN 3 1qol_c00 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 3 3 # 3 A 51 ALA A 79 ALA~? 4.05 C4 NBZ A 112 A 148 HIS A 76 HIS~? 3.91 O2 EDO A 102s A 163 ASP A 75 ASP~? -3.37 CL CL A 101s coo 1.42 19.18 21.84 1.11 19.57 23.28 17.25 -23.53 34.48 18.31 -24.67 34.48 coo 0.71 19.67 27.92 2.43 19.16 26.83 20.68 -25.44 29.29 22.44 -24.37 29.64 coo 7.15 16.22 27.50 6.15 18.00 27.94 16.12 -29.42 31.11 14.94 -31.11 31.50 ULMN 3 1qol_c00 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 4 3 # 4 A 51 ALA B 79 ALA~? 4.13 CH3 ACT B 102 A 148 HIS B 76 HIS~? -3.94 OXT ACT B 102s A 163 ASP B 75 ASP~? 7.34 C2 EDO A 105 coo 1.42 19.18 21.84 1.11 19.57 23.28 14.34 -47.52 16.26 14.86 -46.44 15.36 coo 0.71 19.67 27.92 2.43 19.16 26.83 20.42 -45.46 15.69 21.14 -46.68 14.13 coo 7.15 16.22 27.50 6.15 18.00 27.94 16.30 -41.75 19.83 15.36 -40.72 21.44 1qol_c00 source 1qol PROTEASE (NONSTRUCTURAL PROTEIN P20A) : 4 hits 1qol_c00 naa= 3 ULMN 3 1qol_c01 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 # 1 B 51 ALA A 32 ALA.? -5.14 O2 EDO A 103s B 148 HIS A 73 HIS~? -4.02 O2 EDO A 105s B 163 ASP A 72 ASP~? 9.41 O1 EDO A 102 coo -33.97 19.78 54.18 -33.40 20.11 52.82 18.89 -31.60 30.32 19.49 -30.34 29.72 coo -33.17 20.01 48.16 -34.95 19.37 49.06 17.06 -30.49 26.75 15.82 -32.02 27.49 coo -39.82 16.62 48.85 -38.59 18.24 48.48 19.04 -26.10 21.93 20.11 -24.78 20.72 ULMN 3 1qol_c01 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 2 3 # 2 B 51 ALA A 32 ALA.? -5.14 O2 EDO A 103s B 148 HIS A 76 HIS~? 3.91 O2 EDO A 102s B 163 ASP A 72 ASP~? 9.41 O1 EDO A 102 coo -33.97 19.78 54.18 -33.40 20.11 52.82 18.89 -31.60 30.32 19.49 -30.34 29.72 coo -33.17 20.01 48.16 -34.95 19.37 49.06 20.68 -25.44 29.29 22.44 -24.37 29.64 coo -39.82 16.62 48.85 -38.59 18.24 48.48 19.04 -26.10 21.93 20.11 -24.78 20.72 ULMN 3 1qol_c01 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 3 3 # 3 B 51 ALA A 79 ALA~? 4.05 C4 NBZ A 112 B 148 HIS A 76 HIS~? 3.91 O2 EDO A 102s B 163 ASP A 75 ASP~? -3.37 CL CL A 101s coo -33.97 19.78 54.18 -33.40 20.11 52.82 17.25 -23.53 34.48 18.31 -24.67 34.48 coo -33.17 20.01 48.16 -34.95 19.37 49.06 20.68 -25.44 29.29 22.44 -24.37 29.64 coo -39.82 16.62 48.85 -38.59 18.24 48.48 16.12 -29.42 31.11 14.94 -31.11 31.50 ULMN 3 1qol_c01 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 4 3 # 4 B 51 ALA B 79 ALA~? 4.13 CH3 ACT B 102 B 148 HIS B 76 HIS~? -3.94 OXT ACT B 102s B 163 ASP B 75 ASP~? 7.34 C2 EDO A 105 coo -33.97 19.78 54.18 -33.40 20.11 52.82 14.34 -47.52 16.26 14.86 -46.44 15.36 coo -33.17 20.01 48.16 -34.95 19.37 49.06 20.42 -45.46 15.69 21.14 -46.68 14.13 coo -39.82 16.62 48.85 -38.59 18.24 48.48 16.30 -41.75 19.83 15.36 -40.72 21.44 1qol_c01 source 1qol PROTEASE (NONSTRUCTURAL PROTEIN P20A) : 4 hits 1qol_c01 naa= 3 ULMN 3 1qol_c02 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 # 1 C 51 ALA A 32 ALA.? -5.14 O2 EDO A 103s C 148 HIS A 73 HIS~? -4.02 O2 EDO A 105s C 163 ASP A 72 ASP~? 9.41 O1 EDO A 102 coo -26.36 -19.12 21.15 -25.71 -19.49 22.47 18.89 -31.60 30.32 19.49 -30.34 29.72 coo -25.01 -20.21 26.78 -26.91 -20.55 25.93 17.06 -30.49 26.75 15.82 -32.02 27.49 coo -32.17 -20.34 27.36 -30.15 -20.93 27.54 19.04 -26.10 21.93 20.11 -24.78 20.72 ULMN 3 1qol_c02 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 2 3 # 2 C 51 ALA A 32 ALA.? -5.14 O2 EDO A 103s C 148 HIS A 76 HIS~? 3.91 O2 EDO A 102s C 163 ASP A 72 ASP~? 9.41 O1 EDO A 102 coo -26.36 -19.12 21.15 -25.71 -19.49 22.47 18.89 -31.60 30.32 19.49 -30.34 29.72 coo -25.01 -20.21 26.78 -26.91 -20.55 25.93 20.68 -25.44 29.29 22.44 -24.37 29.64 coo -32.17 -20.34 27.36 -30.15 -20.93 27.54 19.04 -26.10 21.93 20.11 -24.78 20.72 ULMN 3 1qol_c02 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 3 3 # 3 C 51 ALA A 79 ALA~? 4.05 C4 NBZ A 112 C 148 HIS A 76 HIS~? 3.91 O2 EDO A 102s C 163 ASP A 75 ASP~? -3.37 CL CL A 101s coo -26.36 -19.12 21.15 -25.71 -19.49 22.47 17.25 -23.53 34.48 18.31 -24.67 34.48 coo -25.01 -20.21 26.78 -26.91 -20.55 25.93 20.68 -25.44 29.29 22.44 -24.37 29.64 coo -32.17 -20.34 27.36 -30.15 -20.93 27.54 16.12 -29.42 31.11 14.94 -31.11 31.50 ULMN 3 1qol_c02 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 4 3 # 4 C 51 ALA B 79 ALA~? 4.13 CH3 ACT B 102 C 148 HIS B 76 HIS~? -3.94 OXT ACT B 102s C 163 ASP B 75 ASP~? 7.34 C2 EDO A 105 coo -26.36 -19.12 21.15 -25.71 -19.49 22.47 14.34 -47.52 16.26 14.86 -46.44 15.36 coo -25.01 -20.21 26.78 -26.91 -20.55 25.93 20.42 -45.46 15.69 21.14 -46.68 14.13 coo -32.17 -20.34 27.36 -30.15 -20.93 27.54 16.30 -41.75 19.83 15.36 -40.72 21.44 1qol_c02 source 1qol PROTEASE (NONSTRUCTURAL PROTEIN P20A) : 4 hits 1qol_c02 naa= 3 ULMN 3 1qol_c03 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 # 1 D 51 ALA A 32 ALA.? -5.14 O2 EDO A 103s D 148 HIS A 73 HIS~? -4.02 O2 EDO A 105s D 163 ASP A 72 ASP~? 9.41 O1 EDO A 102 coo -6.15 -19.18 55.49 -6.70 -19.60 54.15 18.89 -31.60 30.32 19.49 -30.34 29.72 coo -7.62 -20.32 49.70 -5.89 -20.86 50.74 17.06 -30.49 26.75 15.82 -32.02 27.49 coo -0.41 -20.05 49.27 -2.21 -21.16 49.24 19.04 -26.10 21.93 20.11 -24.78 20.72 ULMN 3 1qol_c03 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 2 3 # 2 D 51 ALA A 32 ALA.? -5.14 O2 EDO A 103s D 148 HIS A 76 HIS~? 3.91 O2 EDO A 102s D 163 ASP A 72 ASP~? 9.41 O1 EDO A 102 coo -6.15 -19.18 55.49 -6.70 -19.60 54.15 18.89 -31.60 30.32 19.49 -30.34 29.72 coo -7.62 -20.32 49.70 -5.89 -20.86 50.74 20.68 -25.44 29.29 22.44 -24.37 29.64 coo -0.41 -20.05 49.27 -2.21 -21.16 49.24 19.04 -26.10 21.93 20.11 -24.78 20.72 ULMN 3 1qol_c03 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 3 3 # 3 D 51 ALA A 79 ALA~? 4.05 C4 NBZ A 112 D 148 HIS A 76 HIS~? 3.91 O2 EDO A 102s D 163 ASP A 75 ASP~? -3.37 CL CL A 101s coo -6.15 -19.18 55.49 -6.70 -19.60 54.15 17.25 -23.53 34.48 18.31 -24.67 34.48 coo -7.62 -20.32 49.70 -5.89 -20.86 50.74 20.68 -25.44 29.29 22.44 -24.37 29.64 coo -0.41 -20.05 49.27 -2.21 -21.16 49.24 16.12 -29.42 31.11 14.94 -31.11 31.50 ULMN 3 1qol_c03 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 4 3 # 4 D 51 ALA B 79 ALA~? 4.13 CH3 ACT B 102 D 148 HIS B 76 HIS~? -3.94 OXT ACT B 102s D 163 ASP B 75 ASP~? 7.34 C2 EDO A 105 coo -6.15 -19.18 55.49 -6.70 -19.60 54.15 14.34 -47.52 16.26 14.86 -46.44 15.36 coo -7.62 -20.32 49.70 -5.89 -20.86 50.74 20.42 -45.46 15.69 21.14 -46.68 14.13 coo -0.41 -20.05 49.27 -2.21 -21.16 49.24 16.30 -41.75 19.83 15.36 -40.72 21.44 1qol_c03 source 1qol PROTEASE (NONSTRUCTURAL PROTEIN P20A) : 4 hits 1qol_c03 naa= 3 ULMN 3 1qol_c04 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 # 1 E 51 ALA A 32 ALA.? -5.14 O2 EDO A 103s E 148 HIS A 73 HIS~? -4.02 O2 EDO A 105s E 163 ASP A 72 ASP~? 9.41 O1 EDO A 102 coo 5.48 -16.06 -47.92 6.03 -15.45 -46.65 18.89 -31.60 30.32 19.49 -30.34 29.72 coo 5.81 -16.05 -42.05 5.54 -17.84 -43.11 17.06 -30.49 26.75 15.82 -32.02 27.49 coo 2.75 -22.21 -43.08 4.67 -21.31 -42.96 19.04 -26.10 21.93 20.11 -24.78 20.72 ULMN 3 1qol_c04 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 2 3 # 2 E 51 ALA A 32 ALA.? -5.14 O2 EDO A 103s E 148 HIS A 76 HIS~? 3.91 O2 EDO A 102s E 163 ASP A 72 ASP~? 9.41 O1 EDO A 102 coo 5.48 -16.06 -47.92 6.03 -15.45 -46.65 18.89 -31.60 30.32 19.49 -30.34 29.72 coo 5.81 -16.05 -42.05 5.54 -17.84 -43.11 20.68 -25.44 29.29 22.44 -24.37 29.64 coo 2.75 -22.21 -43.08 4.67 -21.31 -42.96 19.04 -26.10 21.93 20.11 -24.78 20.72 ULMN 3 1qol_c04 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 3 3 # 3 E 51 ALA A 78 ALA~? 9.16 C4 NBZ A 112 E 148 HIS A 76 HIS~? 3.91 O2 EDO A 102s E 163 ASP A 75 ASP~? -3.37 CL CL A 101s coo 5.48 -16.06 -47.92 6.03 -15.45 -46.65 14.23 -23.30 32.13 13.34 -24.45 32.44 coo 5.81 -16.05 -42.05 5.54 -17.84 -43.11 20.68 -25.44 29.29 22.44 -24.37 29.64 coo 2.75 -22.21 -43.08 4.67 -21.31 -42.96 16.12 -29.42 31.11 14.94 -31.11 31.50 ULMN 3 1qol_c04 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 4 3 # 4 E 51 ALA A 79 ALA~? 4.05 C4 NBZ A 112 E 148 HIS A 76 HIS~? 3.91 O2 EDO A 102s E 163 ASP A 75 ASP~? -3.37 CL CL A 101s coo 5.48 -16.06 -47.92 6.03 -15.45 -46.65 17.25 -23.53 34.48 18.31 -24.67 34.48 coo 5.81 -16.05 -42.05 5.54 -17.84 -43.11 20.68 -25.44 29.29 22.44 -24.37 29.64 coo 2.75 -22.21 -43.08 4.67 -21.31 -42.96 16.12 -29.42 31.11 14.94 -31.11 31.50 ULMN 3 1qol_c04 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 5 3 # 5 E 51 ALA B 79 ALA~? 4.13 CH3 ACT B 102 E 148 HIS B 76 HIS~? -3.94 OXT ACT B 102s E 163 ASP B 75 ASP~? 7.34 C2 EDO A 105 coo 5.48 -16.06 -47.92 6.03 -15.45 -46.65 14.34 -47.52 16.26 14.86 -46.44 15.36 coo 5.81 -16.05 -42.05 5.54 -17.84 -43.11 20.42 -45.46 15.69 21.14 -46.68 14.13 coo 2.75 -22.21 -43.08 4.67 -21.31 -42.96 16.30 -41.75 19.83 15.36 -40.72 21.44 1qol_c04 source 1qol PROTEASE (NONSTRUCTURAL PROTEIN P20A) : 5 hits 1qol_c04 naa= 3 ULMN 3 1qol_c05 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 # 1 F 51 ALA A 32 ALA.? -5.14 O2 EDO A 103s F 148 HIS A 73 HIS~? -4.02 O2 EDO A 105s F 163 ASP A 72 ASP~? 9.41 O1 EDO A 102 coo 5.33 15.59 -14.28 5.80 15.15 -15.64 18.89 -31.60 30.32 19.49 -30.34 29.72 coo 5.79 15.50 -20.13 5.50 17.28 -19.05 17.06 -30.49 26.75 15.82 -32.02 27.49 coo 2.42 22.00 -18.97 4.23 20.92 -19.18 19.04 -26.10 21.93 20.11 -24.78 20.72 ULMN 3 1qol_c05 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 2 3 # 2 F 51 ALA A 32 ALA.? -5.14 O2 EDO A 103s F 148 HIS A 76 HIS~? 3.91 O2 EDO A 102s F 163 ASP A 72 ASP~? 9.41 O1 EDO A 102 coo 5.33 15.59 -14.28 5.80 15.15 -15.64 18.89 -31.60 30.32 19.49 -30.34 29.72 coo 5.79 15.50 -20.13 5.50 17.28 -19.05 20.68 -25.44 29.29 22.44 -24.37 29.64 coo 2.42 22.00 -18.97 4.23 20.92 -19.18 19.04 -26.10 21.93 20.11 -24.78 20.72 ULMN 3 1qol_c05 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 3 3 # 3 F 51 ALA A 79 ALA~? 4.05 C4 NBZ A 112 F 148 HIS A 76 HIS~? 3.91 O2 EDO A 102s F 163 ASP A 75 ASP~? -3.37 CL CL A 101s coo 5.33 15.59 -14.28 5.80 15.15 -15.64 17.25 -23.53 34.48 18.31 -24.67 34.48 coo 5.79 15.50 -20.13 5.50 17.28 -19.05 20.68 -25.44 29.29 22.44 -24.37 29.64 coo 2.42 22.00 -18.97 4.23 20.92 -19.18 16.12 -29.42 31.11 14.94 -31.11 31.50 ULMN 3 1qol_c05 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 4 3 # 4 F 51 ALA B 79 ALA~? 4.13 CH3 ACT B 102 F 148 HIS B 76 HIS~? -3.94 OXT ACT B 102s F 163 ASP B 75 ASP~? 7.34 C2 EDO A 105 coo 5.33 15.59 -14.28 5.80 15.15 -15.64 14.34 -47.52 16.26 14.86 -46.44 15.36 coo 5.79 15.50 -20.13 5.50 17.28 -19.05 20.42 -45.46 15.69 21.14 -46.68 14.13 coo 2.42 22.00 -18.97 4.23 20.92 -19.18 16.30 -41.75 19.83 15.36 -40.72 21.44 1qol_c05 source 1qol PROTEASE (NONSTRUCTURAL PROTEIN P20A) : 4 hits 1qol_c05 naa= 3 ULMN 3 1qol_c06 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 # 1 G 51 ALA A 32 ALA.? -5.14 O2 EDO A 103s G 148 HIS A 76 HIS~? 3.91 O2 EDO A 102s G 163 ASP A 72 ASP~? 9.41 O1 EDO A 102 coo -33.28 -11.88 -14.46 -33.66 -11.38 -15.87 18.89 -31.60 30.32 19.49 -30.34 29.72 coo -34.88 -9.77 -20.15 -35.41 -11.60 -19.26 20.68 -25.44 29.29 22.44 -24.37 29.64 coo -34.41 -16.73 -21.11 -35.66 -15.03 -20.96 19.04 -26.10 21.93 20.11 -24.78 20.72 ULMN 3 1qol_c06 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 2 3 # 2 G 51 ALA A 78 ALA~? 9.16 C4 NBZ A 112 G 148 HIS A 76 HIS~? 3.91 O2 EDO A 102s G 163 ASP A 75 ASP~? -3.37 CL CL A 101s coo -33.28 -11.88 -14.46 -33.66 -11.38 -15.87 14.23 -23.30 32.13 13.34 -24.45 32.44 coo -34.88 -9.77 -20.15 -35.41 -11.60 -19.26 20.68 -25.44 29.29 22.44 -24.37 29.64 coo -34.41 -16.73 -21.11 -35.66 -15.03 -20.96 16.12 -29.42 31.11 14.94 -31.11 31.50 ULMN 3 1qol_c06 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 3 3 # 3 G 51 ALA A 79 ALA~? 4.05 C4 NBZ A 112 G 148 HIS A 76 HIS~? 3.91 O2 EDO A 102s G 163 ASP A 75 ASP~? -3.37 CL CL A 101s coo -33.28 -11.88 -14.46 -33.66 -11.38 -15.87 17.25 -23.53 34.48 18.31 -24.67 34.48 coo -34.88 -9.77 -20.15 -35.41 -11.60 -19.26 20.68 -25.44 29.29 22.44 -24.37 29.64 coo -34.41 -16.73 -21.11 -35.66 -15.03 -20.96 16.12 -29.42 31.11 14.94 -31.11 31.50 ULMN 3 1qol_c06 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 4 3 # 4 G 51 ALA B 79 ALA~? 4.13 CH3 ACT B 102 G 148 HIS B 76 HIS~? -3.94 OXT ACT B 102s G 163 ASP B 75 ASP~? 7.34 C2 EDO A 105 coo -33.28 -11.88 -14.46 -33.66 -11.38 -15.87 14.34 -47.52 16.26 14.86 -46.44 15.36 coo -34.88 -9.77 -20.15 -35.41 -11.60 -19.26 20.42 -45.46 15.69 21.14 -46.68 14.13 coo -34.41 -16.73 -21.11 -35.66 -15.03 -20.96 16.30 -41.75 19.83 15.36 -40.72 21.44 1qol_c06 source 1qol PROTEASE (NONSTRUCTURAL PROTEIN P20A) : 4 hits 1qol_c06 naa= 3 ULMN 3 1qol_c07 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 # 1 H 51 ALA A 32 ALA.? -5.14 O2 EDO A 103s H 148 HIS A 73 HIS~? -4.02 O2 EDO A 105s H 163 ASP A 72 ASP~? 9.41 O1 EDO A 102 coo -33.97 9.40 -47.46 -34.31 8.55 -46.23 18.89 -31.60 30.32 19.49 -30.34 29.72 coo -35.28 7.86 -41.76 -36.20 9.51 -42.67 17.06 -30.49 26.75 15.82 -32.02 27.49 coo -35.25 15.19 -41.05 -35.81 13.11 -41.05 19.04 -26.10 21.93 20.11 -24.78 20.72 ULMN 3 1qol_c07 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 2 3 # 2 H 51 ALA A 32 ALA.? -5.14 O2 EDO A 103s H 148 HIS A 76 HIS~? 3.91 O2 EDO A 102s H 163 ASP A 72 ASP~? 9.41 O1 EDO A 102 coo -33.97 9.40 -47.46 -34.31 8.55 -46.23 18.89 -31.60 30.32 19.49 -30.34 29.72 coo -35.28 7.86 -41.76 -36.20 9.51 -42.67 20.68 -25.44 29.29 22.44 -24.37 29.64 coo -35.25 15.19 -41.05 -35.81 13.11 -41.05 19.04 -26.10 21.93 20.11 -24.78 20.72 ULMN 3 1qol_c07 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 3 3 # 3 H 51 ALA A 79 ALA~? 4.05 C4 NBZ A 112 H 148 HIS A 76 HIS~? 3.91 O2 EDO A 102s H 163 ASP A 75 ASP~? -3.37 CL CL A 101s coo -33.97 9.40 -47.46 -34.31 8.55 -46.23 17.25 -23.53 34.48 18.31 -24.67 34.48 coo -35.28 7.86 -41.76 -36.20 9.51 -42.67 20.68 -25.44 29.29 22.44 -24.37 29.64 coo -35.25 15.19 -41.05 -35.81 13.11 -41.05 16.12 -29.42 31.11 14.94 -31.11 31.50 ULMN 3 1qol_c07 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 4 3 # 4 H 51 ALA B 79 ALA~? 4.13 CH3 ACT B 102 H 148 HIS B 76 HIS~? -3.94 OXT ACT B 102s H 163 ASP B 75 ASP~? 7.34 C2 EDO A 105 coo -33.97 9.40 -47.46 -34.31 8.55 -46.23 14.34 -47.52 16.26 14.86 -46.44 15.36 coo -35.28 7.86 -41.76 -36.20 9.51 -42.67 20.42 -45.46 15.69 21.14 -46.68 14.13 coo -35.25 15.19 -41.05 -35.81 13.11 -41.05 16.30 -41.75 19.83 15.36 -40.72 21.44 1qol_c07 source 1qol PROTEASE (NONSTRUCTURAL PROTEIN P20A) : 4 hits 1qol_c07 naa= 3 ULMN 3 1qrz_c20 PLASMINOGEN user 1 3 # 1 A 603 HIS A 5 HIS^? 3.66 C2 EDO A 102s A 646 ASP A 60 ASP^? 9.96 C2 EDO A 103 A 739 GLY A 43 GLY^? 5.95 O1 EDO A 106 coo -20.72 2.99 34.37 -21.94 1.82 35.61 29.39 -25.70 30.68 28.57 -23.87 31.25 coo -18.83 7.68 26.86 -20.89 7.78 26.56 31.34 -34.21 31.28 32.49 -33.56 32.90 coo -13.44 -7.35 30.08 -14.24 -7.41 30.34 26.99 -26.96 44.48 27.26 -26.41 43.98 ULMN 3 1qrz_c20 PLASMINOGEN user 2 3 # 2 A 603 HIS B 5 HIS^? 5.90 OXT ACT B 102 A 646 ASP B 60 ASP^? 5.67 C1 EDO B 105 A 739 GLY B 43 GLY^? -3.41 O2 EDO B 104s coo -20.72 2.99 34.37 -21.94 1.82 35.61 24.56 -45.54 8.01 23.59 -47.34 8.47 coo -18.83 7.68 26.86 -20.89 7.78 26.56 24.76 -37.09 5.99 24.21 -37.69 4.07 coo -13.44 -7.35 30.08 -14.24 -7.41 30.34 11.57 -44.51 2.72 12.18 -45.02 2.64 1qrz_c20 source 1qrz PLASMINOGEN : 2 hits 1qrz_c20 naa= 3 ULMN 3 1qrz_c21 PLASMINOGEN user 1 3 # 1 B 603 HIS A 5 HIS^? 3.66 C2 EDO A 102s B 646 ASP A 60 ASP^? 9.96 C2 EDO A 103 B 739 GLY A 43 GLY^? 5.95 O1 EDO A 106 coo -48.36 3.10 -3.91 -49.78 2.04 -2.80 29.39 -25.70 30.68 28.57 -23.87 31.25 coo -46.10 7.71 -10.96 -48.16 8.01 -11.35 31.34 -34.21 31.28 32.49 -33.56 32.90 coo -41.48 -7.57 -8.71 -42.26 -7.67 -8.41 26.99 -26.96 44.48 27.26 -26.41 43.98 ULMN 3 1qrz_c21 PLASMINOGEN user 2 3 # 2 B 603 HIS B 5 HIS^? 5.90 OXT ACT B 102 B 646 ASP B 60 ASP^? 5.67 C1 EDO B 105 B 739 GLY B 43 GLY^? -3.41 O2 EDO B 104s coo -48.36 3.10 -3.91 -49.78 2.04 -2.80 24.56 -45.54 8.01 23.59 -47.34 8.47 coo -46.10 7.71 -10.96 -48.16 8.01 -11.35 24.76 -37.09 5.99 24.21 -37.69 4.07 coo -41.48 -7.57 -8.71 -42.26 -7.67 -8.41 11.57 -44.51 2.72 12.18 -45.02 2.64 1qrz_c21 source 1qrz PLASMINOGEN : 2 hits 1qrz_c21 naa= 3 ULMN 3 1qrz_c22 PLASMINOGEN user 1 3 # 1 C 603 HIS A 5 HIS^? 3.66 C2 EDO A 102s C 646 ASP A 60 ASP^? 9.96 C2 EDO A 103 C 739 GLY A 43 GLY^? 5.95 O1 EDO A 106 coo 1.49 -9.23 8.48 -0.19 -8.40 9.43 29.39 -25.70 30.68 28.57 -23.87 31.25 coo 9.05 -13.82 8.74 8.78 -14.02 10.85 31.34 -34.21 31.28 32.49 -33.56 32.90 coo 7.82 1.25 3.03 7.30 1.31 3.65 26.99 -26.96 44.48 27.26 -26.41 43.98 ULMN 3 1qrz_c22 PLASMINOGEN user 2 3 # 2 C 603 HIS B 5 HIS^? 5.90 OXT ACT B 102 C 646 ASP B 60 ASP^? 5.67 C1 EDO B 105 C 739 GLY B 43 GLY^? -3.41 O2 EDO B 104s coo 1.49 -9.23 8.48 -0.19 -8.40 9.43 24.56 -45.54 8.01 23.59 -47.34 8.47 coo 9.05 -13.82 8.74 8.78 -14.02 10.85 24.76 -37.09 5.99 24.21 -37.69 4.07 coo 7.82 1.25 3.03 7.30 1.31 3.65 11.57 -44.51 2.72 12.18 -45.02 2.64 1qrz_c22 source 1qrz PLASMINOGEN : 2 hits 1qrz_c22 naa= 3 ULMN 3 1qrz_c23 PLASMINOGEN user 1 3 # 1 D 603 HIS A 5 HIS^? 3.66 C2 EDO A 102s D 646 ASP A 60 ASP^? 9.96 C2 EDO A 103 D 739 GLY A 43 GLY^? 5.95 O1 EDO A 106 coo -52.57 -8.94 46.70 -54.06 -7.64 47.39 29.39 -25.70 30.68 28.57 -23.87 31.25 coo -45.30 -14.04 46.94 -45.65 -14.15 49.00 31.34 -34.21 31.28 32.49 -33.56 32.90 coo -45.82 1.31 41.67 -46.38 1.39 42.31 26.99 -26.96 44.48 27.26 -26.41 43.98 ULMN 3 1qrz_c23 PLASMINOGEN user 2 3 # 2 D 603 HIS B 5 HIS^? 5.90 OXT ACT B 102 D 646 ASP B 60 ASP^? 5.67 C1 EDO B 105 D 739 GLY B 43 GLY^? -3.41 O2 EDO B 104s coo -52.57 -8.94 46.70 -54.06 -7.64 47.39 24.56 -45.54 8.01 23.59 -47.34 8.47 coo -45.30 -14.04 46.94 -45.65 -14.15 49.00 24.76 -37.09 5.99 24.21 -37.69 4.07 coo -45.82 1.31 41.67 -46.38 1.39 42.31 11.57 -44.51 2.72 12.18 -45.02 2.64 ULMN 3 1qrz_c23 PLASMINOGEN user 3 3 # 3 D 603 HIS B 76 HIS~? -3.94 OXT ACT B 102s D 646 ASP B 75 ASP~? 7.34 C2 EDO A 105 D 739 GLY B 66 GLY~? 8.19 C1 EDO A 104 coo -52.57 -8.94 46.70 -54.06 -7.64 47.39 20.42 -45.46 15.69 21.14 -46.68 14.13 coo -45.30 -14.04 46.94 -45.65 -14.15 49.00 16.30 -41.75 19.83 15.36 -40.72 21.44 coo -45.82 1.31 41.67 -46.38 1.39 42.31 29.58 -38.78 14.56 29.91 -39.54 14.52 1qrz_c23 source 1qrz PLASMINOGEN : 3 hits 1qrz_c23 naa= 3 ULMN 3 1qz9_c02 KYNURENINASE user 1 3 # 1 A 129 PHE A 67 PHE~? -4.76 C1 EDO A 102s A 201 ASP A 65 ASP~? 10.10 C1 EDO A 104 A 227 LYS A 38 LYS^? -2.86 O1 EDO A 104s coo 23.39 49.81 32.16 21.33 51.68 32.26 28.51 -27.10 24.33 28.72 -24.72 25.76 coo 25.52 45.12 37.98 23.98 46.65 37.85 26.58 -32.44 17.88 27.18 -32.00 15.88 coo 12.68 46.83 36.69 18.26 48.67 34.51 27.72 -37.88 30.49 27.16 -40.68 26.03 ULMN 3 1qz9_c02 KYNURENINASE user 2 3 # 2 A 129 PHE B 67 PHE~? 9.52 OXT ACT B 102 A 201 ASP B 65 ASP~? 10.18 C1 EDO A 104 A 227 LYS B 38 LYS.? 11.73 C1 EDO B 105 coo 23.39 49.81 32.16 21.33 51.68 32.26 29.04 -44.24 11.72 28.04 -46.76 11.25 coo 25.52 45.12 37.98 23.98 46.65 37.85 33.69 -38.88 16.48 35.60 -39.38 17.27 coo 12.68 46.83 36.69 18.26 48.67 34.51 23.51 -33.84 9.67 26.45 -31.79 13.35 1qz9_c02 source 1qz9 KYNURENINASE : 2 hits 1qz9_c02 naa= 3 ULMN 3 1r4f_c00 IAG-NUCLEOSIDE HYDROLASE user 1 3 # 1 A 10 ASP A 60 ASP^? 9.96 C2 EDO A 103 A 186 ASN A -5 ASN.? -7.74 O1 EDO A 104s A 260 ALA A 33 ALA.? 3.70 CL CL A 101s coo 11.81 33.10 11.71 13.07 31.45 11.40 31.34 -34.21 31.28 32.49 -33.56 32.90 coo 11.43 26.53 7.41 13.01 27.56 8.43 29.90 -41.58 32.00 29.84 -42.46 30.04 coo 21.53 26.33 6.96 20.26 25.69 7.52 19.95 -35.27 30.54 19.58 -36.13 31.70 ULMN 3 1r4f_c00 IAG-NUCLEOSIDE HYDROLASE user 2 3 # 2 A 10 ASP A 62 ASP^? -3.71 O1 EDO A 104s A 186 ASN A -5 ASN.? -7.74 O1 EDO A 104s A 260 ALA A 33 ALA.? 3.70 CL CL A 101s coo 11.81 33.10 11.71 13.07 31.45 11.40 29.38 -36.88 23.98 30.56 -38.20 22.76 coo 11.43 26.53 7.41 13.01 27.56 8.43 29.90 -41.58 32.00 29.84 -42.46 30.04 coo 21.53 26.33 6.96 20.26 25.69 7.52 19.95 -35.27 30.54 19.58 -36.13 31.70 ULMN 3 1r4f_c00 IAG-NUCLEOSIDE HYDROLASE user 3 3 # 3 A 10 ASP A 62 ASP^? -3.71 O1 EDO A 104s A 186 ASN A -5 ASN.? -7.74 O1 EDO A 104s A 260 ALA A 59 ALA^? 4.61 O2 EDO A 103 coo 11.81 33.10 11.71 13.07 31.45 11.40 29.38 -36.88 23.98 30.56 -38.20 22.76 coo 11.43 26.53 7.41 13.01 27.56 8.43 29.90 -41.58 32.00 29.84 -42.46 30.04 coo 21.53 26.33 6.96 20.26 25.69 7.52 28.61 -30.57 32.81 27.41 -29.88 32.12 ULMN 3 1r4f_c00 IAG-NUCLEOSIDE HYDROLASE user 4 3 # 4 A 10 ASP A 89 ASP^? -2.90 O1 EDO A 107s A 186 ASN A 12 ASN.? 8.27 O2 EDO A 108 A 260 ALA A 84 ALA~? 8.60 O1 NBZ A 112 coo 11.81 33.10 11.71 13.07 31.45 11.40 29.57 -11.85 38.15 30.81 -11.99 36.52 coo 11.43 26.53 7.41 13.01 27.56 8.43 22.62 -9.72 42.54 20.75 -10.53 42.11 coo 21.53 26.33 6.96 20.26 25.69 7.52 19.43 -15.24 35.49 18.78 -15.05 34.12 ULMN 3 1r4f_c00 IAG-NUCLEOSIDE HYDROLASE user 5 3 # 5 A 10 ASP B 54 ASP.? 14.05 O2 EDO B 104 A 186 ASN B 12 ASN.? 15.94 CH3 ACT B 102 A 260 ALA B 84 ALA~? 10.43 CH3 ACT B 102 coo 11.81 33.10 11.71 13.07 31.45 11.40 11.31 -53.68 1.37 10.81 -55.59 0.54 coo 11.43 26.53 7.41 13.01 27.56 8.43 10.97 -61.50 7.37 10.43 -60.80 9.30 coo 21.53 26.33 6.96 20.26 25.69 7.52 14.83 -55.91 13.99 15.49 -56.07 15.37 ULMN 3 1r4f_c00 IAG-NUCLEOSIDE HYDROLASE user 6 3 # 6 A 10 ASP B 62 ASP^? 10.84 C1 EDO B 105 A 186 ASN B -5 ASN.? -7.35 O1 EDO B 105s A 260 ALA B 59 ALA^? 5.57 O ACT B 102 coo 11.81 33.10 11.71 13.07 31.45 11.40 30.23 -34.29 11.39 31.86 -33.00 11.08 coo 11.43 26.53 7.41 13.01 27.56 8.43 23.22 -30.19 6.38 21.29 -29.48 6.94 coo 21.53 26.33 6.96 20.26 25.69 7.52 22.18 -40.83 7.36 22.16 -41.54 8.73 ULMN 3 1r4f_c00 IAG-NUCLEOSIDE HYDROLASE user 7 3 # 7 A 10 ASP B 89 ASP^? 14.56 OXT ACT B 102 A 186 ASN B 12 ASN.? 15.94 CH3 ACT B 102 A 260 ALA B 84 ALA~? 10.43 CH3 ACT B 102 coo 11.81 33.10 11.71 13.07 31.45 11.40 18.24 -59.30 3.92 20.30 -59.15 3.66 coo 11.43 26.53 7.41 13.01 27.56 8.43 10.97 -61.50 7.37 10.43 -60.80 9.30 coo 21.53 26.33 6.96 20.26 25.69 7.52 14.83 -55.91 13.99 15.49 -56.07 15.37 1r4f_c00 source 1r4f IAG-NUCLEOSIDE HYDROLASE : 7 hits 1r4f_c00 naa= 3 ULMN 3 1rbn_c01 RIBONUCLEASE A (E.C.3.1.27.5) DERIVAuser 1 3 # 1 A 12 HIS A 5 HIS^? 3.66 C2 EDO A 102s A 41 LYS A 38 LYS^? -2.86 O1 EDO A 104s A 119 HIS A 76 HIS~? 3.91 O2 EDO A 102s coo 27.25 41.76 -6.97 28.67 40.32 -7.25 29.39 -25.70 30.68 28.57 -23.87 31.25 coo 35.53 36.24 -0.58 31.10 37.46 -4.56 27.72 -37.88 30.49 27.16 -40.68 26.03 coo 26.49 34.97 -12.73 26.25 33.07 -12.07 20.68 -25.44 29.29 22.44 -24.37 29.64 ULMN 3 1rbn_c01 RIBONUCLEASE A (E.C.3.1.27.5) DERIVAuser 2 3 # 2 A 12 HIS A 76 HIS~? 3.91 O2 EDO A 102s A 41 LYS A 29 LYS~? 12.54 CL CL A 101 A 119 HIS A 5 HIS^? 3.66 C2 EDO A 102s coo 27.25 41.76 -6.97 28.67 40.32 -7.25 20.68 -25.44 29.29 22.44 -24.37 29.64 coo 35.53 36.24 -0.58 31.10 37.46 -4.56 15.40 -32.05 38.28 11.66 -33.59 43.11 coo 26.49 34.97 -12.73 26.25 33.07 -12.07 29.39 -25.70 30.68 28.57 -23.87 31.25 ULMN 3 1rbn_c01 RIBONUCLEASE A (E.C.3.1.27.5) DERIVAuser 3 3 # 3 A 12 HIS B 5 HIS^? 5.90 OXT ACT B 102 A 41 LYS B 38 LYS.? 11.73 C1 EDO B 105 A 119 HIS B 76 HIS~? -3.94 OXT ACT B 102s coo 27.25 41.76 -6.97 28.67 40.32 -7.25 24.56 -45.54 8.01 23.59 -47.34 8.47 coo 35.53 36.24 -0.58 31.10 37.46 -4.56 23.51 -33.84 9.67 26.45 -31.79 13.35 coo 26.49 34.97 -12.73 26.25 33.07 -12.07 20.42 -45.46 15.69 21.14 -46.68 14.13 ULMN 3 1rbn_c01 RIBONUCLEASE A (E.C.3.1.27.5) DERIVAuser 4 3 # 4 A 12 HIS B 76 HIS~? -3.94 OXT ACT B 102s A 41 LYS B 29 LYS~? 12.18 O1 EDO B 104 A 119 HIS B 5 HIS^? 5.90 OXT ACT B 102 coo 27.25 41.76 -6.97 28.67 40.32 -7.25 20.42 -45.46 15.69 21.14 -46.68 14.13 coo 35.53 36.24 -0.58 31.10 37.46 -4.56 11.33 -38.31 14.91 6.22 -40.97 17.66 coo 26.49 34.97 -12.73 26.25 33.07 -12.07 24.56 -45.54 8.01 23.59 -47.34 8.47 1rbn_c01 source 1rbn RIBONUCLEASE A (E.C.3.1.27.5) DERIVATIVE II CO: 4 hits 1rbn_c01 naa= 3 ULMN 3 1rgq_c01 NS4A PEPTIDE user 1 3 # 1 B 60 HIS A 73 HIS~? -4.02 O2 EDO A 105s B 84 ASP A 75 ASP~? -3.37 CL CL A 101s B 140 GLY A 66 GLY~? 7.08 O1 EDO A 104 coo 20.71 17.85 -18.47 19.91 19.62 -17.68 17.06 -30.49 26.75 15.82 -32.02 27.49 coo 23.40 21.01 -22.79 22.72 19.65 -21.32 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 11.52 20.17 -13.15 11.93 20.87 -13.16 26.20 -32.54 22.39 26.37 -31.76 22.09 ULMN 3 1rgq_c01 NS4A PEPTIDE user 2 3 # 2 B 60 HIS A 76 HIS~? 3.91 O2 EDO A 102s B 84 ASP A 75 ASP~? -3.37 CL CL A 101s B 140 GLY A 66 GLY~? 7.08 O1 EDO A 104 coo 20.71 17.85 -18.47 19.91 19.62 -17.68 20.68 -25.44 29.29 22.44 -24.37 29.64 coo 23.40 21.01 -22.79 22.72 19.65 -21.32 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 11.52 20.17 -13.15 11.93 20.87 -13.16 26.20 -32.54 22.39 26.37 -31.76 22.09 ULMN 3 1rgq_c01 NS4A PEPTIDE user 3 3 # 3 B 60 HIS B 73 HIS~? 5.11 C2 EDO A 104 B 84 ASP B 75 ASP~? 7.34 C2 EDO A 105 B 140 GLY A 63 GLY~? 7.63 O1 EDO A 104 coo 20.71 17.85 -18.47 19.91 19.62 -17.68 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 23.40 21.01 -22.79 22.72 19.65 -21.32 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 11.52 20.17 -13.15 11.93 20.87 -13.16 31.00 -33.26 21.28 30.66 -32.93 21.92 ULMN 3 1rgq_c01 NS4A PEPTIDE user 4 3 # 4 B 60 HIS B 73 HIS~? 5.11 C2 EDO A 104 B 84 ASP B 75 ASP~? 7.34 C2 EDO A 105 B 140 GLY A 66 GLY~? 7.08 O1 EDO A 104 coo 20.71 17.85 -18.47 19.91 19.62 -17.68 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 23.40 21.01 -22.79 22.72 19.65 -21.32 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 11.52 20.17 -13.15 11.93 20.87 -13.16 26.20 -32.54 22.39 26.37 -31.76 22.09 ULMN 3 1rgq_c01 NS4A PEPTIDE user 5 3 # 5 B 60 HIS B 73 HIS~? 5.11 C2 EDO A 104 B 84 ASP B 75 ASP~? 7.34 C2 EDO A 105 B 140 GLY B 66 GLY~? 8.19 C1 EDO A 104 coo 20.71 17.85 -18.47 19.91 19.62 -17.68 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 23.40 21.01 -22.79 22.72 19.65 -21.32 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 11.52 20.17 -13.15 11.93 20.87 -13.16 29.58 -38.78 14.56 29.91 -39.54 14.52 ULMN 3 1rgq_c01 NS4A PEPTIDE user 6 3 # 6 B 60 HIS B 76 HIS~? -3.94 OXT ACT B 102s B 84 ASP B 75 ASP~? 7.34 C2 EDO A 105 B 140 GLY B 66 GLY~? 8.19 C1 EDO A 104 coo 20.71 17.85 -18.47 19.91 19.62 -17.68 20.42 -45.46 15.69 21.14 -46.68 14.13 coo 23.40 21.01 -22.79 22.72 19.65 -21.32 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 11.52 20.17 -13.15 11.93 20.87 -13.16 29.58 -38.78 14.56 29.91 -39.54 14.52 1rgq_c01 source 1rgq NS4A PEPTIDE : 6 hits 1rgq_c01 naa= 3 ULMN 3 1ro7_c03 ALPHA-2,3/8-SIALYLTRANSFERASE user 1 3 # 1 D 129 ARG A 4 ARG^? 11.15 O1 EDO A 106 D 156 TYR A 70 TYR~? 4.47 O2 EDO A 103s D 188 HIS A 5 HIS^? 3.66 C2 EDO A 102s coo -19.99 -38.81 30.91 -19.99 -39.90 28.04 35.29 -30.48 33.81 35.42 -33.13 35.27 coo -32.96 -44.88 30.49 -32.31 -42.65 28.92 23.80 -29.17 27.91 24.12 -28.60 30.60 coo -25.33 -42.26 31.79 -24.77 -40.56 30.70 29.39 -25.70 30.68 28.57 -23.87 31.25 ULMN 3 1ro7_c03 ALPHA-2,3/8-SIALYLTRANSFERASE user 2 3 # 2 D 129 ARG B 4 ARG^? 5.32 O2 EDO B 105 D 156 TYR B 70 TYR~? -4.61 O ACT B 102s D 188 HIS B 5 HIS^? 5.90 OXT ACT B 102 coo -19.99 -38.81 30.91 -19.99 -39.90 28.04 25.02 -40.81 1.35 23.83 -38.19 0.28 coo -32.96 -44.88 30.49 -32.31 -42.65 28.92 23.57 -42.42 13.63 21.81 -43.83 12.00 coo -25.33 -42.26 31.79 -24.77 -40.56 30.70 24.56 -45.54 8.01 23.59 -47.34 8.47 ULMN 3 1ro7_c03 ALPHA-2,3/8-SIALYLTRANSFERASE user 3 3 # 3 D 129 ARG B 77 ARG~? 7.48 O2 EDO A 104 D 156 TYR B 40 TYR^? 4.63 O ACT B 102s D 188 HIS B 76 HIS~? -3.94 OXT ACT B 102s coo -19.99 -38.81 30.91 -19.99 -39.90 28.04 21.83 -48.69 21.52 20.83 -47.48 24.21 coo -32.96 -44.88 30.49 -32.31 -42.65 28.92 17.73 -39.49 9.16 17.04 -42.03 10.10 coo -25.33 -42.26 31.79 -24.77 -40.56 30.70 20.42 -45.46 15.69 21.14 -46.68 14.13 1ro7_c03 source 1ro7 ALPHA-2,3/8-SIALYLTRANSFERASE : 3 hits 1ro7_c03 naa= 3 ULMN 3 1rtf_c06 TWO CHAIN TISSUE PLASMINOGEN ACTIVATuser 1 3 # 1 B 57 HIS A 73 HIS~? -4.02 O2 EDO A 105s B 102 ASP A 75 ASP~? -3.37 CL CL A 101s B 193 GLY A 66 GLY~? 7.08 O1 EDO A 104 coo -4.60 27.52 42.88 -4.63 27.41 40.76 17.06 -30.49 26.75 15.82 -32.02 27.49 coo -0.27 31.24 43.51 -1.49 29.62 42.98 16.12 -29.42 31.11 14.94 -31.11 31.50 coo -6.81 22.81 34.74 -6.42 23.54 34.62 26.20 -32.54 22.39 26.37 -31.76 22.09 ULMN 3 1rtf_c06 TWO CHAIN TISSUE PLASMINOGEN ACTIVATuser 2 3 # 2 B 57 HIS A 76 HIS~? 3.91 O2 EDO A 102s B 102 ASP A 75 ASP~? -3.37 CL CL A 101s B 193 GLY A 66 GLY~? 7.08 O1 EDO A 104 coo -4.60 27.52 42.88 -4.63 27.41 40.76 20.68 -25.44 29.29 22.44 -24.37 29.64 coo -0.27 31.24 43.51 -1.49 29.62 42.98 16.12 -29.42 31.11 14.94 -31.11 31.50 coo -6.81 22.81 34.74 -6.42 23.54 34.62 26.20 -32.54 22.39 26.37 -31.76 22.09 ULMN 3 1rtf_c06 TWO CHAIN TISSUE PLASMINOGEN ACTIVATuser 3 3 # 3 B 57 HIS B 73 HIS~? 5.11 C2 EDO A 104 B 102 ASP B 72 ASP~? -3.91 O2 EDO A 104s B 193 GLY A 66 GLY~? 7.08 O1 EDO A 104 coo -4.60 27.52 42.88 -4.63 27.41 40.76 21.13 -40.83 20.13 19.87 -39.36 20.93 coo -0.27 31.24 43.51 -1.49 29.62 42.98 26.38 -44.91 20.83 26.53 -45.26 22.94 coo -6.81 22.81 34.74 -6.42 23.54 34.62 26.20 -32.54 22.39 26.37 -31.76 22.09 ULMN 3 1rtf_c06 TWO CHAIN TISSUE PLASMINOGEN ACTIVATuser 4 3 # 4 B 57 HIS B 73 HIS~? 5.11 C2 EDO A 104 B 102 ASP B 75 ASP~? 7.34 C2 EDO A 105 B 193 GLY A 66 GLY~? 7.08 O1 EDO A 104 coo -4.60 27.52 42.88 -4.63 27.41 40.76 21.13 -40.83 20.13 19.87 -39.36 20.93 coo -0.27 31.24 43.51 -1.49 29.62 42.98 16.30 -41.75 19.83 15.36 -40.72 21.44 coo -6.81 22.81 34.74 -6.42 23.54 34.62 26.20 -32.54 22.39 26.37 -31.76 22.09 ULMN 3 1rtf_c06 TWO CHAIN TISSUE PLASMINOGEN ACTIVATuser 5 3 # 5 B 57 HIS B 73 HIS~? 5.11 C2 EDO A 104 B 102 ASP B 75 ASP~? 7.34 C2 EDO A 105 B 193 GLY B 66 GLY~? 8.19 C1 EDO A 104 coo -4.60 27.52 42.88 -4.63 27.41 40.76 21.13 -40.83 20.13 19.87 -39.36 20.93 coo -0.27 31.24 43.51 -1.49 29.62 42.98 16.30 -41.75 19.83 15.36 -40.72 21.44 coo -6.81 22.81 34.74 -6.42 23.54 34.62 29.58 -38.78 14.56 29.91 -39.54 14.52 ULMN 3 1rtf_c06 TWO CHAIN TISSUE PLASMINOGEN ACTIVATuser 6 3 # 6 B 57 HIS B 76 HIS~? -3.94 OXT ACT B 102s B 102 ASP B 75 ASP~? 7.34 C2 EDO A 105 B 193 GLY B 66 GLY~? 8.19 C1 EDO A 104 coo -4.60 27.52 42.88 -4.63 27.41 40.76 20.42 -45.46 15.69 21.14 -46.68 14.13 coo -0.27 31.24 43.51 -1.49 29.62 42.98 16.30 -41.75 19.83 15.36 -40.72 21.44 coo -6.81 22.81 34.74 -6.42 23.54 34.62 29.58 -38.78 14.56 29.91 -39.54 14.52 1rtf_c06 source 1rtf TWO CHAIN TISSUE PLASMINOGEN ACTIVATOR : 6 hits 1rtf_c06 naa= 3 ULMN 3 1rtu_c00 RIBONUCLEASE U2 user 1 3 # 1 41 HIS B 73 HIS~? 5.11 C2 EDO A 104 62 GLU A 36 GLU.? 4.60 C2 EDO A 104 101 HIS A 73 HIS~? -4.02 O2 EDO A 105s coo 13.91 26.31 13.70 14.98 27.08 12.06 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 9.15 26.32 13.85 8.75 28.20 13.02 25.24 -36.15 22.76 23.21 -36.44 22.19 coo 7.90 34.31 7.89 9.24 33.73 9.42 17.06 -30.49 26.75 15.82 -32.02 27.49 1rtu_c00 source 1rtu RIBONUCLEASE U2 : 1 hits 1rtu_c00 naa= 3 ULMN 3 1s3i_c00 10-FORMYLTETRAHYDROFOLATE DEHYDROGENuser 1 3 # 1 A 104 ILE A 34 ILE.? 5.32 C2 EDO A 105 A 106 HIS A 73 HIS~? -4.02 O2 EDO A 105s A 142 ASP A 72 ASP~? 9.41 O1 EDO A 102 coo -15.54 60.72 29.56 -16.71 61.53 30.10 20.66 -34.87 25.74 20.92 -33.49 25.29 coo -17.00 64.03 23.46 -18.21 65.65 22.90 17.06 -30.49 26.75 15.82 -32.02 27.49 coo -17.05 67.91 26.85 -18.66 66.47 26.76 19.04 -26.10 21.93 20.11 -24.78 20.72 ULMN 3 1s3i_c00 10-FORMYLTETRAHYDROFOLATE DEHYDROGENuser 2 3 # 2 A 104 ILE A 34 ILE.? 5.32 C2 EDO A 105 A 106 HIS A 73 HIS~? -4.02 O2 EDO A 105s A 142 ASP A 75 ASP~? -3.37 CL CL A 101s coo -15.54 60.72 29.56 -16.71 61.53 30.10 20.66 -34.87 25.74 20.92 -33.49 25.29 coo -17.00 64.03 23.46 -18.21 65.65 22.90 17.06 -30.49 26.75 15.82 -32.02 27.49 coo -17.05 67.91 26.85 -18.66 66.47 26.76 16.12 -29.42 31.11 14.94 -31.11 31.50 ULMN 3 1s3i_c00 10-FORMYLTETRAHYDROFOLATE DEHYDROGENuser 3 3 # 3 A 104 ILE B 34 ILE~? 7.74 O ACT B 102 A 106 HIS B 76 HIS~? -3.94 OXT ACT B 102s A 142 ASP B 75 ASP~? 7.34 C2 EDO A 105 coo -15.54 60.72 29.56 -16.71 61.53 30.10 19.99 -38.38 16.55 20.40 -39.80 16.43 coo -17.00 64.03 23.46 -18.21 65.65 22.90 20.42 -45.46 15.69 21.14 -46.68 14.13 coo -17.05 67.91 26.85 -18.66 66.47 26.76 16.30 -41.75 19.83 15.36 -40.72 21.44 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 60 ASP^? 9.96 C2 EDO A 103 595 GLU A 36 GLU.? 4.60 C2 EDO A 104 713 TYR A 70 TYR~? 4.47 O2 EDO A 103s coo 5.64 2.82 38.49 4.59 4.19 37.25 31.34 -34.21 31.28 32.49 -33.56 32.90 coo 4.35 13.73 37.63 3.39 12.18 36.55 25.24 -36.15 22.76 23.21 -36.44 22.19 coo 3.76 10.25 31.38 3.16 9.87 34.10 23.80 -29.17 27.91 24.12 -28.60 30.60 ULMN 3 1sll_c00 SIALIDASE L user 2 3 # 2 318 ASP B 60 ASP^? 5.67 C1 EDO B 105 595 GLU B 36 GLU.? 4.68 C1 EDO A 104 713 TYR B 70 TYR~? -4.61 O ACT B 102s coo 5.64 2.82 38.49 4.59 4.19 37.25 24.76 -37.09 5.99 24.21 -37.69 4.07 coo 4.35 13.73 37.63 3.39 12.18 36.55 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 3.76 10.25 31.38 3.16 9.87 34.10 23.57 -42.42 13.63 21.81 -43.83 12.00 ULMN 3 1sll_c00 SIALIDASE L user 3 3 # 3 318 ASP B 75 ASP~? 7.34 C2 EDO A 105 595 GLU B 36 GLU.? 4.68 C1 EDO A 104 713 TYR B 70 TYR~? -4.61 O ACT B 102s coo 5.64 2.82 38.49 4.59 4.19 37.25 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 4.35 13.73 37.63 3.39 12.18 36.55 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 3.76 10.25 31.38 3.16 9.87 34.10 23.57 -42.42 13.63 21.81 -43.83 12.00 1sll_c00 source 1sll SIALIDASE L : 3 hits 1sll_c00 naa= 3 ULMN 3 1ssx_c02 ALPHA-LYTIC PROTEASE user 1 3 # 1 A 57 HIS A 73 HIS~? -4.02 O2 EDO A 105s A 102 ASP A 75 ASP~? -3.37 CL CL A 101s A 193 GLY A 66 GLY~? 7.08 O1 EDO A 104 coo 15.02 29.17 19.44 15.63 29.96 17.60 17.06 -30.49 26.75 15.82 -32.02 27.49 coo 19.67 30.58 22.61 18.30 29.87 21.17 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 14.52 29.10 10.01 15.08 29.66 10.19 26.20 -32.54 22.39 26.37 -31.76 22.09 ULMN 3 1ssx_c02 ALPHA-LYTIC PROTEASE user 2 3 # 2 A 57 HIS A 76 HIS~? 3.91 O2 EDO A 102s A 102 ASP A 75 ASP~? -3.37 CL CL A 101s A 193 GLY A 66 GLY~? 7.08 O1 EDO A 104 coo 15.02 29.17 19.44 15.63 29.96 17.60 20.68 -25.44 29.29 22.44 -24.37 29.64 coo 19.67 30.58 22.61 18.30 29.87 21.17 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 14.52 29.10 10.01 15.08 29.66 10.19 26.20 -32.54 22.39 26.37 -31.76 22.09 ULMN 3 1ssx_c02 ALPHA-LYTIC PROTEASE user 3 3 # 3 A 57 HIS B 73 HIS~? 5.11 C2 EDO A 104 A 102 ASP B 72 ASP~? -3.91 O2 EDO A 104s A 193 GLY A 66 GLY~? 7.08 O1 EDO A 104 coo 15.02 29.17 19.44 15.63 29.96 17.60 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 19.67 30.58 22.61 18.30 29.87 21.17 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 14.52 29.10 10.01 15.08 29.66 10.19 26.20 -32.54 22.39 26.37 -31.76 22.09 ULMN 3 1ssx_c02 ALPHA-LYTIC PROTEASE user 4 3 # 4 A 57 HIS B 73 HIS~? 5.11 C2 EDO A 104 A 102 ASP B 75 ASP~? 7.34 C2 EDO A 105 A 193 GLY A 66 GLY~? 7.08 O1 EDO A 104 coo 15.02 29.17 19.44 15.63 29.96 17.60 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 19.67 30.58 22.61 18.30 29.87 21.17 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 14.52 29.10 10.01 15.08 29.66 10.19 26.20 -32.54 22.39 26.37 -31.76 22.09 ULMN 3 1ssx_c02 ALPHA-LYTIC PROTEASE user 5 3 # 5 A 57 HIS B 73 HIS~? 5.11 C2 EDO A 104 A 102 ASP B 75 ASP~? 7.34 C2 EDO A 105 A 193 GLY B 66 GLY~? 8.19 C1 EDO A 104 coo 15.02 29.17 19.44 15.63 29.96 17.60 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 19.67 30.58 22.61 18.30 29.87 21.17 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 14.52 29.10 10.01 15.08 29.66 10.19 29.58 -38.78 14.56 29.91 -39.54 14.52 ULMN 3 1ssx_c02 ALPHA-LYTIC PROTEASE user 6 3 # 6 A 57 HIS B 76 HIS~? -3.94 OXT ACT B 102s A 102 ASP B 75 ASP~? 7.34 C2 EDO A 105 A 193 GLY B 66 GLY~? 8.19 C1 EDO A 104 coo 15.02 29.17 19.44 15.63 29.96 17.60 20.42 -45.46 15.69 21.14 -46.68 14.13 coo 19.67 30.58 22.61 18.30 29.87 21.17 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 14.52 29.10 10.01 15.08 29.66 10.19 29.58 -38.78 14.56 29.91 -39.54 14.52 1ssx_c02 source 1ssx ALPHA-LYTIC PROTEASE : 6 hits 1ssx_c02 naa= 3 ULMN 3 1t4c_c02 FORMYL-COENZYME A TRANSFERASE user 1 3 # 1 A 261 GLY A 63 GLY~? 7.63 O1 EDO A 104 B 17 GLN A -1 GLN.? 6.08 C1 EDO A 104 B 140 GLU A 36 GLU.? 4.60 C2 EDO A 104 coo 61.49 19.86 5.96 61.52 19.46 5.16 31.00 -33.26 21.28 30.66 -32.93 21.92 coo 63.76 11.90 7.93 65.18 13.07 6.77 29.96 -42.38 21.18 30.64 -44.39 21.08 coo 66.44 19.00 7.38 67.69 17.67 8.37 25.24 -36.15 22.76 23.21 -36.44 22.19 ULMN 3 1t4c_c02 FORMYL-COENZYME A TRANSFERASE user 2 3 # 2 A 261 GLY A 63 GLY~? 7.63 O1 EDO A 104 B 17 GLN A 94 GLN^? 4.68 C1 EDO A 102 B 140 GLU A 64 GLU~? 12.93 C1 EDO A 102 coo 61.49 19.86 5.96 61.52 19.46 5.16 31.00 -33.26 21.28 30.66 -32.93 21.92 coo 63.76 11.90 7.93 65.18 13.07 6.77 32.05 -24.90 27.25 31.50 -22.83 27.13 coo 66.44 19.00 7.38 67.69 17.67 8.37 32.22 -28.58 19.32 33.17 -27.36 17.86 ULMN 3 1t4c_c02 FORMYL-COENZYME A TRANSFERASE user 3 3 # 3 A 261 GLY A 63 GLY~? 7.63 O1 EDO A 104 B 17 GLN B -1 GLN.? 14.97 C1 EDO A 104 B 140 GLU A 64 GLU~? 12.93 C1 EDO A 102 coo 61.49 19.86 5.96 61.52 19.46 5.16 31.00 -33.26 21.28 30.66 -32.93 21.92 coo 63.76 11.90 7.93 65.18 13.07 6.77 33.05 -29.02 12.64 33.15 -28.63 14.73 coo 66.44 19.00 7.38 67.69 17.67 8.37 32.22 -28.58 19.32 33.17 -27.36 17.86 ULMN 3 1t4c_c02 FORMYL-COENZYME A TRANSFERASE user 4 3 # 4 A 261 GLY B 63 GLY~? 12.65 C1 EDO B 105 B 17 GLN B 94 GLN^? 10.06 OXT ACT B 102 B 140 GLU B 64 GLU~? 15.64 C1 EDO A 104 coo 61.49 19.86 5.96 61.52 19.46 5.16 33.32 -38.00 11.08 32.56 -38.25 11.10 coo 63.76 11.90 7.93 65.18 13.07 6.77 28.74 -46.41 7.61 28.49 -48.49 8.10 coo 66.44 19.00 7.38 67.69 17.67 8.37 35.47 -42.81 11.09 36.89 -44.38 11.18 ULMN 3 1t4c_c02 FORMYL-COENZYME A TRANSFERASE user 5 3 # 5 A 261 GLY B 66 GLY~? 8.19 C1 EDO A 104 B 17 GLN A -1 GLN.? 6.08 C1 EDO A 104 B 140 GLU B 36 GLU.? 4.68 C1 EDO A 104 coo 61.49 19.86 5.96 61.52 19.46 5.16 29.58 -38.78 14.56 29.91 -39.54 14.52 coo 63.76 11.90 7.93 65.18 13.07 6.77 29.96 -42.38 21.18 30.64 -44.39 21.08 coo 66.44 19.00 7.38 67.69 17.67 8.37 26.07 -36.88 17.25 24.74 -37.15 18.88 1t4c_c02 source 1t4c FORMYL-COENZYME A TRANSFERASE : 5 hits 1t4c_c02 naa= 3 ULMN 3 1ti6_c06 PYROGALLOL HYDROXYTRANSFERASE SMALL user 1 3 # 1 A 144 HIS B 76 HIS~? -3.94 OXT ACT B 102s A 174 ASP B 72 ASP~? -3.91 O2 EDO A 104s A 404 TYR B 40 TYR^? 4.63 O ACT B 102s coo 18.51 -77.38 -39.07 19.76 -78.71 -38.04 20.42 -45.46 15.69 21.14 -46.68 14.13 coo 27.58 -77.64 -39.00 25.78 -78.57 -39.64 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 14.43 -85.16 -40.78 16.47 -83.93 -39.31 17.73 -39.49 9.16 17.04 -42.03 10.10 1ti6_c06 source 1ti6 PYROGALLOL HYDROXYTRANSFERASE SMALL SUBUNIT : 1 hits 1ti6_c06 naa= 3 ULMN 3 1ti6_c07 PYROGALLOL HYDROXYTRANSFERASE SMALL user 1 3 # 1 C 144 HIS B 76 HIS~? -3.94 OXT ACT B 102s C 174 ASP B 72 ASP~? -3.91 O2 EDO A 104s C 404 TYR B 40 TYR^? 4.63 O ACT B 102s coo -15.55 89.08 -13.38 -16.05 90.98 -14.11 20.42 -45.46 15.69 21.14 -46.68 14.13 coo -23.98 91.31 -16.16 -21.94 90.86 -16.65 26.38 -44.91 20.83 26.53 -45.26 22.94 coo -8.89 91.06 -18.89 -11.23 91.99 -17.67 17.73 -39.49 9.16 17.04 -42.03 10.10 1ti6_c07 source 1ti6 PYROGALLOL HYDROXYTRANSFERASE SMALL SUBUNIT : 1 hits 1ti6_c07 naa= 3 ULMN 3 1ti6_c08 PYROGALLOL HYDROXYTRANSFERASE SMALL user 1 3 # 1 E 144 HIS B 76 HIS~? -3.94 OXT ACT B 102s E 174 ASP B 72 ASP~? -3.91 O2 EDO A 104s E 404 TYR B 40 TYR^? 4.63 O ACT B 102s coo -7.53-107.59 75.19 -8.14-106.04 76.47 20.42 -45.46 15.69 21.14 -46.68 14.13 coo -3.55-105.39 83.13 -5.21-106.24 82.09 26.38 -44.91 20.83 26.53 -45.26 22.94 coo -16.31-108.78 75.35 -14.20-107.14 76.16 17.73 -39.49 9.16 17.04 -42.03 10.10 1ti6_c08 source 1ti6 PYROGALLOL HYDROXYTRANSFERASE SMALL SUBUNIT : 1 hits 1ti6_c08 naa= 3 ULMN 3 1ti6_c09 PYROGALLOL HYDROXYTRANSFERASE SMALL user 1 3 # 1 G 144 HIS B 76 HIS~? -3.94 OXT ACT B 102s G 174 ASP B 72 ASP~? -3.91 O2 EDO A 104s G 404 TYR B 40 TYR^? 4.63 O ACT B 102s coo 60.48-101.16 45.95 60.56-101.20 43.85 20.42 -45.46 15.69 21.14 -46.68 14.13 coo 58.10-108.15 40.62 59.57-106.86 41.51 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 68.57 -97.60 44.49 66.22 -98.53 43.28 17.73 -39.49 9.16 17.04 -42.03 10.10 1ti6_c09 source 1ti6 PYROGALLOL HYDROXYTRANSFERASE SMALL SUBUNIT : 1 hits 1ti6_c09 naa= 3 ULMN 3 1ti6_c10 PYROGALLOL HYDROXYTRANSFERASE SMALL user 1 3 # 1 I 144 HIS B 76 HIS~? -3.94 OXT ACT B 102s I 174 ASP B 72 ASP~? -3.91 O2 EDO A 104s I 404 TYR B 40 TYR^? 4.63 O ACT B 102s coo -12.68 -17.50 91.59 -12.79 -19.47 92.31 20.42 -45.46 15.69 21.14 -46.68 14.13 coo -20.27 -21.99 93.95 -18.47 -20.99 94.50 26.38 -44.91 20.83 26.53 -45.26 22.94 coo -5.95 -17.59 97.43 -7.86 -19.17 96.13 17.73 -39.49 9.16 17.04 -42.03 10.10 1ti6_c10 source 1ti6 PYROGALLOL HYDROXYTRANSFERASE SMALL SUBUNIT : 1 hits 1ti6_c10 naa= 3 ULMN 3 1ti6_c11 PYROGALLOL HYDROXYTRANSFERASE SMALL user 1 3 # 1 K 144 HIS B 76 HIS~? -3.94 OXT ACT B 102s K 174 ASP B 72 ASP~? -3.91 O2 EDO A 104s K 404 TYR B 40 TYR^? 4.63 O ACT B 102s coo 100.18 26.45 -1.32 99.24 26.12 0.53 20.42 -45.46 15.69 21.14 -46.68 14.13 coo 102.36 30.86 6.31 102.45 29.08 5.12 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 99.93 17.48 -0.85 99.14 19.86 0.39 17.73 -39.49 9.16 17.04 -42.03 10.10 1ti6_c11 source 1ti6 PYROGALLOL HYDROXYTRANSFERASE SMALL SUBUNIT : 1 hits 1ti6_c11 naa= 3 ULMN 3 1tz3_c02 PUTATIVE SUGAR KINASE user 1 3 # 1 A 250 ALA A 69 ALA~? 8.89 O2 EDO A 105 A 251 GLY A 66 GLY~? 7.08 O1 EDO A 104 A 252 ASP A 65 ASP~? 10.10 C1 EDO A 104 coo 27.46 -16.39 -4.13 28.50 -15.30 -4.20 21.83 -29.76 22.01 21.88 -31.27 21.77 coo 24.64 -14.61 -2.31 24.63 -15.34 -2.63 26.20 -32.54 22.39 26.37 -31.76 22.09 coo 21.52 -17.78 -4.15 20.67 -16.16 -5.23 26.58 -32.44 17.88 27.18 -32.00 15.88 ULMN 3 1tz3_c02 PUTATIVE SUGAR KINASE user 2 3 # 2 A 250 ALA B 69 ALA~? 3.93 C1 EDO A 104 A 251 GLY B 66 GLY~? 8.19 C1 EDO A 104 A 252 ASP B 65 ASP~? 10.18 C1 EDO A 104 coo 27.46 -16.39 -4.13 28.50 -15.30 -4.20 27.47 -41.30 18.33 27.70 -39.80 18.34 coo 24.64 -14.61 -2.31 24.63 -15.34 -2.63 29.58 -38.78 14.56 29.91 -39.54 14.52 coo 21.52 -17.78 -4.15 20.67 -16.16 -5.23 33.69 -38.88 16.48 35.60 -39.38 17.27 1tz3_c02 source 1tz3 PUTATIVE SUGAR KINASE : 2 hits 1tz3_c02 naa= 3 ULMN 3 1tz3_c03 PUTATIVE SUGAR KINASE user 1 3 # 1 B 250 ALA A 69 ALA~? 8.89 O2 EDO A 105 B 251 GLY A 66 GLY~? 7.08 O1 EDO A 104 B 252 ASP A 65 ASP~? 10.10 C1 EDO A 104 coo 16.60 -23.26 -48.35 15.78 -24.48 -48.70 21.83 -29.76 22.01 21.88 -31.27 21.77 coo 14.17 -20.48 -49.26 14.89 -20.41 -48.91 26.20 -32.54 22.39 26.37 -31.76 22.09 coo 16.67 -17.59 -46.30 15.00 -17.34 -45.02 26.58 -32.44 17.88 27.18 -32.00 15.88 ULMN 3 1tz3_c03 PUTATIVE SUGAR KINASE user 2 3 # 2 B 250 ALA B 69 ALA~? 3.93 C1 EDO A 104 B 251 GLY B 66 GLY~? 8.19 C1 EDO A 104 B 252 ASP B 65 ASP~? 10.18 C1 EDO A 104 coo 16.60 -23.26 -48.35 15.78 -24.48 -48.70 27.47 -41.30 18.33 27.70 -39.80 18.34 coo 14.17 -20.48 -49.26 14.89 -20.41 -48.91 29.58 -38.78 14.56 29.91 -39.54 14.52 coo 16.67 -17.59 -46.30 15.00 -17.34 -45.02 33.69 -38.88 16.48 35.60 -39.38 17.27 1tz3_c03 source 1tz3 PUTATIVE SUGAR KINASE : 2 hits 1tz3_c03 naa= 3 ULMN 3 1uk7_c00 3.07.01.0009 user 1 3 # 1 A 103 ALA A 69 ALA~? 8.89 O2 EDO A 105 A 224 ASP A 75 ASP~? -3.37 CL CL A 101s A 252 HIS A 73 HIS~? -4.02 O2 EDO A 105s coo 10.74 41.88 -3.62 10.55 41.61 -5.11 21.83 -29.76 22.01 21.88 -31.27 21.77 coo 7.52 49.49 -8.72 7.95 47.43 -8.44 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 9.83 44.81 -9.44 9.32 43.66 -7.77 17.06 -30.49 26.75 15.82 -32.02 27.49 ULMN 3 1uk7_c00 3.07.01.0009 user 2 3 # 2 A 103 ALA A 69 ALA~? 8.89 O2 EDO A 105 A 224 ASP A 75 ASP~? -3.37 CL CL A 101s A 252 HIS A 76 HIS~? 3.91 O2 EDO A 102s coo 10.74 41.88 -3.62 10.55 41.61 -5.11 21.83 -29.76 22.01 21.88 -31.27 21.77 coo 7.52 49.49 -8.72 7.95 47.43 -8.44 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 9.83 44.81 -9.44 9.32 43.66 -7.77 20.68 -25.44 29.29 22.44 -24.37 29.64 ULMN 3 1uk7_c00 3.07.01.0009 user 3 3 # 3 A 103 ALA B 69 ALA~? 3.93 C1 EDO A 104 A 224 ASP B 75 ASP~? 7.34 C2 EDO A 105 A 252 HIS B 73 HIS~? 5.11 C2 EDO A 104 coo 10.74 41.88 -3.62 10.55 41.61 -5.11 27.47 -41.30 18.33 27.70 -39.80 18.34 coo 7.52 49.49 -8.72 7.95 47.43 -8.44 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 9.83 44.81 -9.44 9.32 43.66 -7.77 21.13 -40.83 20.13 19.87 -39.36 20.93 1uk7_c00 source 1uk7 3.07.01.0009 : 3 hits 1uk7_c00 naa= 3 ULMN 3 1ula_c00 PURINE NUCLEOSIDE PHOSPHORYLASE (E.Cuser 1 3 # 1 86 HIS B 73 HIS~? 5.11 C2 EDO A 104 89 GLU A 36 GLU.? 4.60 C2 EDO A 104 243 ASN B -5 ASN.? -7.35 O1 EDO B 105s coo 5.83 15.74 17.38 6.41 17.70 17.86 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 3.11 16.19 13.44 4.96 17.09 13.42 25.24 -36.15 22.76 23.21 -36.44 22.19 coo 0.53 21.81 31.33 1.05 20.47 29.70 23.22 -30.19 6.38 21.29 -29.48 6.94 ULMN 3 1ula_c00 PURINE NUCLEOSIDE PHOSPHORYLASE (E.Cuser 2 3 # 2 86 HIS B 73 HIS~? 5.11 C2 EDO A 104 89 GLU A 36 GLU.? 4.60 C2 EDO A 104 243 ASN B 39 ASN^? 4.87 O1 EDO B 105 coo 5.83 15.74 17.38 6.41 17.70 17.86 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 3.11 16.19 13.44 4.96 17.09 13.42 25.24 -36.15 22.76 23.21 -36.44 22.19 coo 0.53 21.81 31.33 1.05 20.47 29.70 21.48 -35.09 5.61 22.53 -33.31 5.12 1ula_c00 source 1ula PURINE NUCLEOSIDE PHOSPHORYLASE (E.C.2.4.2.1) : 2 hits 1ula_c00 naa= 3 ULMN 3 1uok_c03 OLIGO-1,6-GLUCOSIDASE user 1 3 # 1 199 ASP A 62 ASP^? -3.71 O1 EDO A 104s 255 GLU B 36 GLU.? 4.68 C1 EDO A 104 329 ASP B 65 ASP~? 10.18 C1 EDO A 104 coo 49.16 35.16 15.19 51.08 34.43 15.65 29.38 -36.88 23.98 30.56 -38.20 22.76 coo 52.57 37.12 10.17 53.37 35.95 11.75 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 59.16 37.82 13.95 57.63 37.03 15.12 33.69 -38.88 16.48 35.60 -39.38 17.27 ULMN 3 1uok_c03 OLIGO-1,6-GLUCOSIDASE user 2 3 # 2 199 ASP A 62 ASP^? -3.71 O1 EDO A 104s 255 GLU B 36 GLU.? 4.68 C1 EDO A 104 329 ASP B 72 ASP~? -3.91 O2 EDO A 104s coo 49.16 35.16 15.19 51.08 34.43 15.65 29.38 -36.88 23.98 30.56 -38.20 22.76 coo 52.57 37.12 10.17 53.37 35.95 11.75 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 59.16 37.82 13.95 57.63 37.03 15.12 26.38 -44.91 20.83 26.53 -45.26 22.94 ULMN 3 1uok_c03 OLIGO-1,6-GLUCOSIDASE user 3 3 # 3 199 ASP A 65 ASP~? 10.10 C1 EDO A 104 255 GLU B 36 GLU.? 4.68 C1 EDO A 104 329 ASP B 65 ASP~? 10.18 C1 EDO A 104 coo 49.16 35.16 15.19 51.08 34.43 15.65 26.58 -32.44 17.88 27.18 -32.00 15.88 coo 52.57 37.12 10.17 53.37 35.95 11.75 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 59.16 37.82 13.95 57.63 37.03 15.12 33.69 -38.88 16.48 35.60 -39.38 17.27 ULMN 3 1uok_c03 OLIGO-1,6-GLUCOSIDASE user 4 3 # 4 199 ASP B 65 ASP~? 10.18 C1 EDO A 104 255 GLU B 36 GLU.? 4.68 C1 EDO A 104 329 ASP A 62 ASP^? -3.71 O1 EDO A 104s coo 49.16 35.16 15.19 51.08 34.43 15.65 33.69 -38.88 16.48 35.60 -39.38 17.27 coo 52.57 37.12 10.17 53.37 35.95 11.75 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 59.16 37.82 13.95 57.63 37.03 15.12 29.38 -36.88 23.98 30.56 -38.20 22.76 ULMN 3 1uok_c03 OLIGO-1,6-GLUCOSIDASE user 5 3 # 5 199 ASP B 65 ASP~? 10.18 C1 EDO A 104 255 GLU B 36 GLU.? 4.68 C1 EDO A 104 329 ASP B 72 ASP~? -3.91 O2 EDO A 104s coo 49.16 35.16 15.19 51.08 34.43 15.65 33.69 -38.88 16.48 35.60 -39.38 17.27 coo 52.57 37.12 10.17 53.37 35.95 11.75 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 59.16 37.82 13.95 57.63 37.03 15.12 26.38 -44.91 20.83 26.53 -45.26 22.94 1uok_c03 source 1uok OLIGO-1,6-GLUCOSIDASE : 5 hits 1uok_c03 naa= 3 ULMN 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 1 3 # 1 199 ASP A 62 ASP^? -3.71 O1 EDO A 104s 218 GLU B 21 GLU~? 5.95 C2 EDO B 104 329 ASP B 72 ASP~? -3.91 O2 EDO A 104s coo 49.16 35.16 15.19 51.08 34.43 15.65 29.38 -36.88 23.98 30.56 -38.20 22.76 coo 70.09 11.71 8.46 70.56 12.89 6.77 2.71 -45.99 6.84 3.51 -44.02 6.67 coo 59.16 37.82 13.95 57.63 37.03 15.12 26.38 -44.91 20.83 26.53 -45.26 22.94 ULMN 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 2 3 # 2 199 ASP A 75 ASP~? -3.37 CL CL A 101s 218 GLU B 21 GLU~? 5.95 C2 EDO B 104 329 ASP A 72 ASP~? 9.41 O1 EDO A 102 coo 49.16 35.16 15.19 51.08 34.43 15.65 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 70.09 11.71 8.46 70.56 12.89 6.77 2.71 -45.99 6.84 3.51 -44.02 6.67 coo 59.16 37.82 13.95 57.63 37.03 15.12 19.04 -26.10 21.93 20.11 -24.78 20.72 ULMN 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 3 3 # 3 199 ASP B 54 ASP.? 14.05 O2 EDO B 104 218 GLU A 36 GLU.? 4.60 C2 EDO A 104 329 ASP B 89 ASP^? 14.56 OXT ACT B 102 coo 49.16 35.16 15.19 51.08 34.43 15.65 11.31 -53.68 1.37 10.81 -55.59 0.54 coo 70.09 11.71 8.46 70.56 12.89 6.77 25.24 -36.15 22.76 23.21 -36.44 22.19 coo 59.16 37.82 13.95 57.63 37.03 15.12 18.24 -59.30 3.92 20.30 -59.15 3.66 ULMN 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 4 3 # 4 199 ASP B 65 ASP~? 10.18 C1 EDO A 104 218 GLU B 21 GLU~? 5.95 C2 EDO B 104 329 ASP A 65 ASP~? 10.10 C1 EDO A 104 coo 49.16 35.16 15.19 51.08 34.43 15.65 33.69 -38.88 16.48 35.60 -39.38 17.27 coo 70.09 11.71 8.46 70.56 12.89 6.77 2.71 -45.99 6.84 3.51 -44.02 6.67 coo 59.16 37.82 13.95 57.63 37.03 15.12 26.58 -32.44 17.88 27.18 -32.00 15.88 ULMN 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 5 3 # 5 199 ASP B 65 ASP~? 10.18 C1 EDO A 104 218 GLU B 21 GLU~? 5.95 C2 EDO B 104 329 ASP B 72 ASP~? -3.91 O2 EDO A 104s coo 49.16 35.16 15.19 51.08 34.43 15.65 33.69 -38.88 16.48 35.60 -39.38 17.27 coo 70.09 11.71 8.46 70.56 12.89 6.77 2.71 -45.99 6.84 3.51 -44.02 6.67 coo 59.16 37.82 13.95 57.63 37.03 15.12 26.38 -44.91 20.83 26.53 -45.26 22.94 1uok_c04 source 1uok OLIGO-1,6-GLUCOSIDASE : 5 hits 1uok_c04 naa= 3 ULMN 3 1vzx_c02 2.04.01.0087 user 1 3 # 1 A 314 TYR B 70 TYR~? -4.61 O ACT B 102s A 317 GLU B 36 GLU.? 4.68 C1 EDO A 104 A 365 ARG B 4 ARG^? 5.32 O2 EDO B 105 coo 1.77 6.56 57.05 3.05 7.44 59.37 23.57 -42.42 13.63 21.81 -43.83 12.00 coo 3.06 2.85 52.79 4.83 3.89 53.24 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 3.82 17.09 49.56 4.09 14.32 50.84 25.02 -40.81 1.35 23.83 -38.19 0.28 1vzx_c02 source 1vzx 2.04.01.0087 : 1 hits 1vzx_c02 naa= 3 ULMN 3 1vzx_c03 2.04.01.0087 user 1 3 # 1 B1314 TYR B 70 TYR~? -4.61 O ACT B 102s B1317 GLU B 36 GLU.? 4.68 C1 EDO A 104 B1365 ARG B 4 ARG^? 5.32 O2 EDO B 105 coo 13.32 10.15 -9.20 12.07 11.36 -11.38 23.57 -42.42 13.63 21.81 -43.83 12.00 coo 12.13 5.84 -5.49 10.31 6.88 -5.76 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 11.24 19.69 -0.67 10.92 17.07 -2.21 25.02 -40.81 1.35 23.83 -38.19 0.28 1vzx_c03 source 1vzx 2.04.01.0087 : 1 hits 1vzx_c03 naa= 3 ULMN 3 1vzz_c00 STEROID DELTA-ISOMERASE user 1 3 # 1 A 16 TYR A 40 TYR^? -3.88 C2 EDO A 103s A 40 ASP A 75 ASP~? -3.37 CL CL A 101s A 103 LEU A 27 LEU~? 3.79 O1 EDO A 103s coo 12.09 16.13 10.57 11.28 18.80 10.73 24.80 -33.38 35.92 22.50 -34.77 36.54 coo 7.55 25.51 14.34 9.65 25.73 14.24 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 11.83 18.73 16.99 10.99 19.71 15.26 21.06 -27.70 39.01 21.99 -25.89 38.38 ULMN 3 1vzz_c00 STEROID DELTA-ISOMERASE user 2 3 # 2 A 16 TYR A 40 TYR^? -3.88 C2 EDO A 103s A 40 ASP A 75 ASP~? -3.37 CL CL A 101s A 103 LEU A 37 LEU^? 5.15 O2 EDO A 103 coo 12.09 16.13 10.57 11.28 18.80 10.73 24.80 -33.38 35.92 22.50 -34.77 36.54 coo 7.55 25.51 14.34 9.65 25.73 14.24 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 11.83 18.73 16.99 10.99 19.71 15.26 24.31 -34.63 29.54 24.49 -33.30 31.26 ULMN 3 1vzz_c00 STEROID DELTA-ISOMERASE user 3 3 # 3 A 16 TYR A 70 TYR~? 4.47 O2 EDO A 103s A 40 ASP A 60 ASP^? 9.96 C2 EDO A 103 A 103 LEU A 37 LEU^? 5.15 O2 EDO A 103 coo 12.09 16.13 10.57 11.28 18.80 10.73 23.80 -29.17 27.91 24.12 -28.60 30.60 coo 7.55 25.51 14.34 9.65 25.73 14.24 31.34 -34.21 31.28 32.49 -33.56 32.90 coo 11.83 18.73 16.99 10.99 19.71 15.26 24.31 -34.63 29.54 24.49 -33.30 31.26 ULMN 3 1vzz_c00 STEROID DELTA-ISOMERASE user 4 3 # 4 A 16 TYR A 70 TYR~? 4.47 O2 EDO A 103s A 40 ASP A 62 ASP^? -3.71 O1 EDO A 104s A 103 LEU A 37 LEU^? 5.15 O2 EDO A 103 coo 12.09 16.13 10.57 11.28 18.80 10.73 23.80 -29.17 27.91 24.12 -28.60 30.60 coo 7.55 25.51 14.34 9.65 25.73 14.24 29.38 -36.88 23.98 30.56 -38.20 22.76 coo 11.83 18.73 16.99 10.99 19.71 15.26 24.31 -34.63 29.54 24.49 -33.30 31.26 ULMN 3 1vzz_c00 STEROID DELTA-ISOMERASE user 5 3 # 5 A 16 TYR A 70 TYR~? 4.47 O2 EDO A 103s A 40 ASP A 65 ASP~? 10.10 C1 EDO A 104 A 103 LEU A 61 LEU^? 7.92 C2 EDO A 102 coo 12.09 16.13 10.57 11.28 18.80 10.73 23.80 -29.17 27.91 24.12 -28.60 30.60 coo 7.55 25.51 14.34 9.65 25.73 14.24 26.58 -32.44 17.88 27.18 -32.00 15.88 coo 11.83 18.73 16.99 10.99 19.71 15.26 28.64 -31.94 26.66 26.84 -31.08 27.62 ULMN 3 1vzz_c00 STEROID DELTA-ISOMERASE user 6 3 # 6 A 16 TYR B 40 TYR^? 4.63 O ACT B 102s A 40 ASP B 75 ASP~? 7.34 C2 EDO A 105 A 103 LEU B 27 LEU~? -4.45 CH3 ACT B 102s coo 12.09 16.13 10.57 11.28 18.80 10.73 17.73 -39.49 9.16 17.04 -42.03 10.10 coo 7.55 25.51 14.34 9.65 25.73 14.24 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 11.83 18.73 16.99 10.99 19.71 15.26 12.66 -43.28 10.51 13.45 -45.35 10.57 ULMN 3 1vzz_c00 STEROID DELTA-ISOMERASE user 7 3 # 7 A 16 TYR B 40 TYR^? 4.63 O ACT B 102s A 40 ASP B 75 ASP~? 7.34 C2 EDO A 105 A 103 LEU B 37 LEU.? 7.24 O ACT B 102 coo 12.09 16.13 10.57 11.28 18.80 10.73 17.73 -39.49 9.16 17.04 -42.03 10.10 coo 7.55 25.51 14.34 9.65 25.73 14.24 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 11.83 18.73 16.99 10.99 19.71 15.26 20.99 -36.91 12.22 20.40 -38.90 11.98 ULMN 3 1vzz_c00 STEROID DELTA-ISOMERASE user 8 3 # 8 A 16 TYR B 70 TYR~? -4.61 O ACT B 102s A 40 ASP A 65 ASP~? 10.10 C1 EDO A 104 A 103 LEU B 37 LEU.? 7.24 O ACT B 102 coo 12.09 16.13 10.57 11.28 18.80 10.73 23.57 -42.42 13.63 21.81 -43.83 12.00 coo 7.55 25.51 14.34 9.65 25.73 14.24 26.58 -32.44 17.88 27.18 -32.00 15.88 coo 11.83 18.73 16.99 10.99 19.71 15.26 20.99 -36.91 12.22 20.40 -38.90 11.98 ULMN 3 1vzz_c00 STEROID DELTA-ISOMERASE user 9 3 # 9 A 16 TYR B 70 TYR~? -4.61 O ACT B 102s A 40 ASP A 65 ASP~? 10.10 C1 EDO A 104 A 103 LEU B 61 LEU^? 9.55 O ACT B 102 coo 12.09 16.13 10.57 11.28 18.80 10.73 23.57 -42.42 13.63 21.81 -43.83 12.00 coo 7.55 25.51 14.34 9.65 25.73 14.24 26.58 -32.44 17.88 27.18 -32.00 15.88 coo 11.83 18.73 16.99 10.99 19.71 15.26 27.55 -39.08 10.62 25.77 -40.38 11.00 ULMN 3 1vzz_c00 STEROID DELTA-ISOMERASE user 10 3 # 10 A 16 TYR B 70 TYR~? -4.61 O ACT B 102s A 40 ASP B 60 ASP^? 5.67 C1 EDO B 105 A 103 LEU B 37 LEU.? 7.24 O ACT B 102 coo 12.09 16.13 10.57 11.28 18.80 10.73 23.57 -42.42 13.63 21.81 -43.83 12.00 coo 7.55 25.51 14.34 9.65 25.73 14.24 24.76 -37.09 5.99 24.21 -37.69 4.07 coo 11.83 18.73 16.99 10.99 19.71 15.26 20.99 -36.91 12.22 20.40 -38.90 11.98 ULMN 3 1vzz_c00 STEROID DELTA-ISOMERASE user 11 3 # 11 A 16 TYR B 70 TYR~? -4.61 O ACT B 102s A 40 ASP B 62 ASP^? 10.84 C1 EDO B 105 A 103 LEU B 37 LEU.? 7.24 O ACT B 102 coo 12.09 16.13 10.57 11.28 18.80 10.73 23.57 -42.42 13.63 21.81 -43.83 12.00 coo 7.55 25.51 14.34 9.65 25.73 14.24 30.23 -34.29 11.39 31.86 -33.00 11.08 coo 11.83 18.73 16.99 10.99 19.71 15.26 20.99 -36.91 12.22 20.40 -38.90 11.98 ULMN 3 1vzz_c00 STEROID DELTA-ISOMERASE user 12 3 # 12 A 16 TYR B 70 TYR~? -4.61 O ACT B 102s A 40 ASP B 65 ASP~? 10.18 C1 EDO A 104 A 103 LEU B 61 LEU^? 9.55 O ACT B 102 coo 12.09 16.13 10.57 11.28 18.80 10.73 23.57 -42.42 13.63 21.81 -43.83 12.00 coo 7.55 25.51 14.34 9.65 25.73 14.24 33.69 -38.88 16.48 35.60 -39.38 17.27 coo 11.83 18.73 16.99 10.99 19.71 15.26 27.55 -39.08 10.62 25.77 -40.38 11.00 ULMN 3 1vzz_c00 STEROID DELTA-ISOMERASE user 13 3 # 13 A 16 TYR B 70 TYR~? -4.61 O ACT B 102s A 40 ASP B 75 ASP~? 7.34 C2 EDO A 105 A 103 LEU B 37 LEU.? 7.24 O ACT B 102 coo 12.09 16.13 10.57 11.28 18.80 10.73 23.57 -42.42 13.63 21.81 -43.83 12.00 coo 7.55 25.51 14.34 9.65 25.73 14.24 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 11.83 18.73 16.99 10.99 19.71 15.26 20.99 -36.91 12.22 20.40 -38.90 11.98 1vzz_c00 source 1vzz STEROID DELTA-ISOMERASE : 13 hits 1vzz_c00 naa= 3 ULMN 3 1vzz_c01 STEROID DELTA-ISOMERASE user 1 3 # 1 B 16 TYR A 40 TYR^? -3.88 C2 EDO A 103s B 40 ASP A 75 ASP~? -3.37 CL CL A 101s B 103 LEU A 27 LEU~? 3.79 O1 EDO A 103s coo 14.25 20.09 37.35 13.48 17.40 37.38 24.80 -33.38 35.92 22.50 -34.77 36.54 coo 9.39 10.77 34.53 11.50 10.63 34.41 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 12.89 17.60 31.13 12.34 16.51 32.90 21.06 -27.70 39.01 21.99 -25.89 38.38 ULMN 3 1vzz_c01 STEROID DELTA-ISOMERASE user 2 3 # 2 B 16 TYR A 40 TYR^? -3.88 C2 EDO A 103s B 40 ASP A 75 ASP~? -3.37 CL CL A 101s B 103 LEU A 37 LEU^? 5.15 O2 EDO A 103 coo 14.25 20.09 37.35 13.48 17.40 37.38 24.80 -33.38 35.92 22.50 -34.77 36.54 coo 9.39 10.77 34.53 11.50 10.63 34.41 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 12.89 17.60 31.13 12.34 16.51 32.90 24.31 -34.63 29.54 24.49 -33.30 31.26 ULMN 3 1vzz_c01 STEROID DELTA-ISOMERASE user 3 3 # 3 B 16 TYR A 70 TYR~? 4.47 O2 EDO A 103s B 40 ASP A 60 ASP^? 9.96 C2 EDO A 103 B 103 LEU A 37 LEU^? 5.15 O2 EDO A 103 coo 14.25 20.09 37.35 13.48 17.40 37.38 23.80 -29.17 27.91 24.12 -28.60 30.60 coo 9.39 10.77 34.53 11.50 10.63 34.41 31.34 -34.21 31.28 32.49 -33.56 32.90 coo 12.89 17.60 31.13 12.34 16.51 32.90 24.31 -34.63 29.54 24.49 -33.30 31.26 ULMN 3 1vzz_c01 STEROID DELTA-ISOMERASE user 4 3 # 4 B 16 TYR A 70 TYR~? 4.47 O2 EDO A 103s B 40 ASP A 62 ASP^? -3.71 O1 EDO A 104s B 103 LEU A 37 LEU^? 5.15 O2 EDO A 103 coo 14.25 20.09 37.35 13.48 17.40 37.38 23.80 -29.17 27.91 24.12 -28.60 30.60 coo 9.39 10.77 34.53 11.50 10.63 34.41 29.38 -36.88 23.98 30.56 -38.20 22.76 coo 12.89 17.60 31.13 12.34 16.51 32.90 24.31 -34.63 29.54 24.49 -33.30 31.26 ULMN 3 1vzz_c01 STEROID DELTA-ISOMERASE user 5 3 # 5 B 16 TYR A 70 TYR~? 4.47 O2 EDO A 103s B 40 ASP A 65 ASP~? 10.10 C1 EDO A 104 B 103 LEU A 61 LEU^? 7.92 C2 EDO A 102 coo 14.25 20.09 37.35 13.48 17.40 37.38 23.80 -29.17 27.91 24.12 -28.60 30.60 coo 9.39 10.77 34.53 11.50 10.63 34.41 26.58 -32.44 17.88 27.18 -32.00 15.88 coo 12.89 17.60 31.13 12.34 16.51 32.90 28.64 -31.94 26.66 26.84 -31.08 27.62 ULMN 3 1vzz_c01 STEROID DELTA-ISOMERASE user 6 3 # 6 B 16 TYR B 40 TYR^? 4.63 O ACT B 102s B 40 ASP B 75 ASP~? 7.34 C2 EDO A 105 B 103 LEU B 27 LEU~? -4.45 CH3 ACT B 102s coo 14.25 20.09 37.35 13.48 17.40 37.38 17.73 -39.49 9.16 17.04 -42.03 10.10 coo 9.39 10.77 34.53 11.50 10.63 34.41 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 12.89 17.60 31.13 12.34 16.51 32.90 12.66 -43.28 10.51 13.45 -45.35 10.57 ULMN 3 1vzz_c01 STEROID DELTA-ISOMERASE user 7 3 # 7 B 16 TYR B 40 TYR^? 4.63 O ACT B 102s B 40 ASP B 75 ASP~? 7.34 C2 EDO A 105 B 103 LEU B 37 LEU.? 7.24 O ACT B 102 coo 14.25 20.09 37.35 13.48 17.40 37.38 17.73 -39.49 9.16 17.04 -42.03 10.10 coo 9.39 10.77 34.53 11.50 10.63 34.41 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 12.89 17.60 31.13 12.34 16.51 32.90 20.99 -36.91 12.22 20.40 -38.90 11.98 ULMN 3 1vzz_c01 STEROID DELTA-ISOMERASE user 8 3 # 8 B 16 TYR B 70 TYR~? -4.61 O ACT B 102s B 40 ASP A 65 ASP~? 10.10 C1 EDO A 104 B 103 LEU B 37 LEU.? 7.24 O ACT B 102 coo 14.25 20.09 37.35 13.48 17.40 37.38 23.57 -42.42 13.63 21.81 -43.83 12.00 coo 9.39 10.77 34.53 11.50 10.63 34.41 26.58 -32.44 17.88 27.18 -32.00 15.88 coo 12.89 17.60 31.13 12.34 16.51 32.90 20.99 -36.91 12.22 20.40 -38.90 11.98 ULMN 3 1vzz_c01 STEROID DELTA-ISOMERASE user 9 3 # 9 B 16 TYR B 70 TYR~? -4.61 O ACT B 102s B 40 ASP A 65 ASP~? 10.10 C1 EDO A 104 B 103 LEU B 61 LEU^? 9.55 O ACT B 102 coo 14.25 20.09 37.35 13.48 17.40 37.38 23.57 -42.42 13.63 21.81 -43.83 12.00 coo 9.39 10.77 34.53 11.50 10.63 34.41 26.58 -32.44 17.88 27.18 -32.00 15.88 coo 12.89 17.60 31.13 12.34 16.51 32.90 27.55 -39.08 10.62 25.77 -40.38 11.00 ULMN 3 1vzz_c01 STEROID DELTA-ISOMERASE user 10 3 # 10 B 16 TYR B 70 TYR~? -4.61 O ACT B 102s B 40 ASP B 60 ASP^? 5.67 C1 EDO B 105 B 103 LEU B 37 LEU.? 7.24 O ACT B 102 coo 14.25 20.09 37.35 13.48 17.40 37.38 23.57 -42.42 13.63 21.81 -43.83 12.00 coo 9.39 10.77 34.53 11.50 10.63 34.41 24.76 -37.09 5.99 24.21 -37.69 4.07 coo 12.89 17.60 31.13 12.34 16.51 32.90 20.99 -36.91 12.22 20.40 -38.90 11.98 ULMN 3 1vzz_c01 STEROID DELTA-ISOMERASE user 11 3 # 11 B 16 TYR B 70 TYR~? -4.61 O ACT B 102s B 40 ASP B 62 ASP^? 10.84 C1 EDO B 105 B 103 LEU B 37 LEU.? 7.24 O ACT B 102 coo 14.25 20.09 37.35 13.48 17.40 37.38 23.57 -42.42 13.63 21.81 -43.83 12.00 coo 9.39 10.77 34.53 11.50 10.63 34.41 30.23 -34.29 11.39 31.86 -33.00 11.08 coo 12.89 17.60 31.13 12.34 16.51 32.90 20.99 -36.91 12.22 20.40 -38.90 11.98 ULMN 3 1vzz_c01 STEROID DELTA-ISOMERASE user 12 3 # 12 B 16 TYR B 70 TYR~? -4.61 O ACT B 102s B 40 ASP B 65 ASP~? 10.18 C1 EDO A 104 B 103 LEU B 61 LEU^? 9.55 O ACT B 102 coo 14.25 20.09 37.35 13.48 17.40 37.38 23.57 -42.42 13.63 21.81 -43.83 12.00 coo 9.39 10.77 34.53 11.50 10.63 34.41 33.69 -38.88 16.48 35.60 -39.38 17.27 coo 12.89 17.60 31.13 12.34 16.51 32.90 27.55 -39.08 10.62 25.77 -40.38 11.00 ULMN 3 1vzz_c01 STEROID DELTA-ISOMERASE user 13 3 # 13 B 16 TYR B 70 TYR~? -4.61 O ACT B 102s B 40 ASP B 75 ASP~? 7.34 C2 EDO A 105 B 103 LEU B 37 LEU.? 7.24 O ACT B 102 coo 14.25 20.09 37.35 13.48 17.40 37.38 23.57 -42.42 13.63 21.81 -43.83 12.00 coo 9.39 10.77 34.53 11.50 10.63 34.41 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 12.89 17.60 31.13 12.34 16.51 32.90 20.99 -36.91 12.22 20.40 -38.90 11.98 1vzz_c01 source 1vzz STEROID DELTA-ISOMERASE : 13 hits 1vzz_c01 naa= 3 ULMN 3 1w1o_c00 CYTOKININ DEHYDROGENASE 1 user 1 3 # 1 A 105 HIS A 5 HIS^? 3.66 C2 EDO A 102s A 169 ASP A 62 ASP^? -3.71 O1 EDO A 104s A 288 GLU B 36 GLU.? 4.68 C1 EDO A 104 coo 67.72 35.99 30.87 69.77 36.13 31.33 29.39 -25.70 30.68 28.57 -23.87 31.25 coo 73.17 30.66 22.56 72.87 30.30 20.46 29.38 -36.88 23.98 30.56 -38.20 22.76 coo 74.06 28.51 15.92 73.77 29.56 17.73 26.07 -36.88 17.25 24.74 -37.15 18.88 ULMN 3 1w1o_c00 CYTOKININ DEHYDROGENASE 1 user 2 3 # 2 A 105 HIS A 73 HIS~? -4.02 O2 EDO A 105s A 169 ASP A 65 ASP~? 10.10 C1 EDO A 104 A 288 GLU A 64 GLU~? 12.93 C1 EDO A 102 coo 67.72 35.99 30.87 69.77 36.13 31.33 17.06 -30.49 26.75 15.82 -32.02 27.49 coo 73.17 30.66 22.56 72.87 30.30 20.46 26.58 -32.44 17.88 27.18 -32.00 15.88 coo 74.06 28.51 15.92 73.77 29.56 17.73 32.22 -28.58 19.32 33.17 -27.36 17.86 ULMN 3 1w1o_c00 CYTOKININ DEHYDROGENASE 1 user 3 3 # 3 A 105 HIS B 73 HIS~? 5.11 C2 EDO A 104 A 169 ASP A 65 ASP~? 10.10 C1 EDO A 104 A 288 GLU A 64 GLU~? 12.93 C1 EDO A 102 coo 67.72 35.99 30.87 69.77 36.13 31.33 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 73.17 30.66 22.56 72.87 30.30 20.46 26.58 -32.44 17.88 27.18 -32.00 15.88 coo 74.06 28.51 15.92 73.77 29.56 17.73 32.22 -28.58 19.32 33.17 -27.36 17.86 ULMN 3 1w1o_c00 CYTOKININ DEHYDROGENASE 1 user 4 3 # 4 A 105 HIS B 73 HIS~? 5.11 C2 EDO A 104 A 169 ASP B 65 ASP~? 10.18 C1 EDO A 104 A 288 GLU B 64 GLU~? 15.64 C1 EDO A 104 coo 67.72 35.99 30.87 69.77 36.13 31.33 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 73.17 30.66 22.56 72.87 30.30 20.46 33.69 -38.88 16.48 35.60 -39.38 17.27 coo 74.06 28.51 15.92 73.77 29.56 17.73 35.47 -42.81 11.09 36.89 -44.38 11.18 1w1o_c00 source 1w1o CYTOKININ DEHYDROGENASE 1 : 4 hits 1w1o_c00 naa= 3 ULMN 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 1 3 # 1 A 420 ALA A 96 ALA^? 15.09 C1 EDO A 102 B 182 GLY A 0 GLY.? 7.67 O1 EDO A 104 B 183 GLY A 63 GLY~? 7.63 O1 EDO A 104 coo 38.36-101.47-135.52 39.62-101.29-136.35 38.51 -30.52 26.20 39.40 -30.68 24.97 coo 41.93-102.35-126.87 41.52-101.89-126.30 33.91 -37.82 20.22 33.82 -37.92 21.05 coo 38.37-101.99-128.11 38.63-102.24-127.37 31.00 -33.26 21.28 30.66 -32.93 21.92 ULMN 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 2 3 # 2 A 420 ALA B 69 ALA~? 3.93 C1 EDO A 104 B 182 GLY A 0 GLY.? 7.67 O1 EDO A 104 B 183 GLY A 63 GLY~? 7.63 O1 EDO A 104 coo 38.36-101.47-135.52 39.62-101.29-136.35 27.47 -41.30 18.33 27.70 -39.80 18.34 coo 41.93-102.35-126.87 41.52-101.89-126.30 33.91 -37.82 20.22 33.82 -37.92 21.05 coo 38.37-101.99-128.11 38.63-102.24-127.37 31.00 -33.26 21.28 30.66 -32.93 21.92 ULMN 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 3 3 # 3 A 420 ALA B 69 ALA~? 3.93 C1 EDO A 104 B 182 GLY A 63 GLY~? 7.63 O1 EDO A 104 B 183 GLY A 0 GLY.? 7.67 O1 EDO A 104 coo 38.36-101.47-135.52 39.62-101.29-136.35 27.47 -41.30 18.33 27.70 -39.80 18.34 coo 41.93-102.35-126.87 41.52-101.89-126.30 31.00 -33.26 21.28 30.66 -32.93 21.92 coo 38.37-101.99-128.11 38.63-102.24-127.37 33.91 -37.82 20.22 33.82 -37.92 21.05 ULMN 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 4 3 # 4 A 420 ALA B 69 ALA~? 3.93 C1 EDO A 104 B 182 GLY A 66 GLY~? 7.08 O1 EDO A 104 B 183 GLY A 63 GLY~? 7.63 O1 EDO A 104 coo 38.36-101.47-135.52 39.62-101.29-136.35 27.47 -41.30 18.33 27.70 -39.80 18.34 coo 41.93-102.35-126.87 41.52-101.89-126.30 26.20 -32.54 22.39 26.37 -31.76 22.09 coo 38.37-101.99-128.11 38.63-102.24-127.37 31.00 -33.26 21.28 30.66 -32.93 21.92 ULMN 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 5 3 # 5 A 420 ALA B 96 ALA^? 10.33 O2 EDO B 105 B 182 GLY B 0 GLY.? 12.28 C1 EDO B 105 B 183 GLY B 63 GLY~? 12.65 C1 EDO B 105 coo 38.36-101.47-135.52 39.62-101.29-136.35 33.21 -40.76 2.65 34.69 -40.59 2.55 coo 41.93-102.35-126.87 41.52-101.89-126.30 35.71 -33.44 9.74 35.08 -33.23 9.28 coo 38.37-101.99-128.11 38.63-102.24-127.37 33.32 -38.00 11.08 32.56 -38.25 11.10 ULMN 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 6 3 # 6 A 420 ALA B 96 ALA^? 10.33 O2 EDO B 105 B 182 GLY B 63 GLY~? 12.65 C1 EDO B 105 B 183 GLY B 2 GLY^? 7.48 C1 EDO B 105 coo 38.36-101.47-135.52 39.62-101.29-136.35 33.21 -40.76 2.65 34.69 -40.59 2.55 coo 41.93-102.35-126.87 41.52-101.89-126.30 33.32 -38.00 11.08 32.56 -38.25 11.10 coo 38.37-101.99-128.11 38.63-102.24-127.37 31.57 -36.28 6.07 32.21 -36.88 5.94 1xny_c01 source 1xny PROPIONYL-COA CARBOXYLASE COMPLEX B SUBUNIT : 6 hits 1xny_c01 naa= 3 ULMN 3 1xqw_c00 PROLINE IMINOPEPTIDASE user 1 3 # 1 A 105 ALA A 32 ALA.? -5.14 O2 EDO A 103s A 244 ASP A 72 ASP~? 9.41 O1 EDO A 102 A 271 HIS A 73 HIS~? -4.02 O2 EDO A 105s coo 15.05 3.71 6.93 14.58 4.88 7.78 18.89 -31.60 30.32 19.49 -30.34 29.72 coo 9.85 8.15 0.76 10.61 7.04 2.39 19.04 -26.10 21.93 20.11 -24.78 20.72 coo 10.61 7.65 6.01 12.39 6.55 6.23 17.06 -30.49 26.75 15.82 -32.02 27.49 ULMN 3 1xqw_c00 PROLINE IMINOPEPTIDASE user 2 3 # 2 A 105 ALA A 69 ALA~? 8.89 O2 EDO A 105 A 244 ASP A 75 ASP~? -3.37 CL CL A 101s A 271 HIS A 73 HIS~? -4.02 O2 EDO A 105s coo 15.05 3.71 6.93 14.58 4.88 7.78 21.83 -29.76 22.01 21.88 -31.27 21.77 coo 9.85 8.15 0.76 10.61 7.04 2.39 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 10.61 7.65 6.01 12.39 6.55 6.23 17.06 -30.49 26.75 15.82 -32.02 27.49 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 69 ALA~? 8.89 O2 EDO A 105 B 126 ARG A 77 ARG~? 12.24 O2 EDO A 105 B 138 GLU A 36 GLU.? 4.60 C2 EDO A 104 coo 2.11 4.00 19.31 3.14 4.86 19.99 21.83 -29.76 22.01 21.88 -31.27 21.77 coo 2.45 5.53 11.28 3.59 7.56 13.29 15.52 -22.75 25.33 12.48 -23.17 25.81 coo 6.10 2.00 25.24 6.12 1.84 23.13 25.24 -36.15 22.76 23.21 -36.44 22.19 ULMN 3 1xs1_c07 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 2 3 # 2 B 124 ALA B 69 ALA~? 3.93 C1 EDO A 104 B 126 ARG B 68 ARG~? 13.19 C1 EDO A 104 B 138 GLU A 36 GLU.? 4.60 C2 EDO A 104 coo 2.11 4.00 19.31 3.14 4.86 19.99 27.47 -41.30 18.33 27.70 -39.80 18.34 coo 2.45 5.53 11.28 3.59 7.56 13.29 31.65 -46.03 15.78 32.85 -48.29 14.05 coo 6.10 2.00 25.24 6.12 1.84 23.13 25.24 -36.15 22.76 23.21 -36.44 22.19 ULMN 3 1xs1_c07 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 3 3 # 3 B 124 ALA B 69 ALA~? 3.93 C1 EDO A 104 B 126 ARG B 77 ARG~? 7.48 O2 EDO A 104 B 138 GLU A 36 GLU.? 4.60 C2 EDO A 104 coo 2.11 4.00 19.31 3.14 4.86 19.99 27.47 -41.30 18.33 27.70 -39.80 18.34 coo 2.45 5.53 11.28 3.59 7.56 13.29 21.83 -48.69 21.52 20.83 -47.48 24.21 coo 6.10 2.00 25.24 6.12 1.84 23.13 25.24 -36.15 22.76 23.21 -36.44 22.19 ULMN 3 1xs1_c07 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 4 3 # 4 B 124 ALA B 96 ALA^? 10.33 O2 EDO B 105 B 126 ARG B 4 ARG^? 5.32 O2 EDO B 105 B 138 GLU B 64 GLU~? 15.64 C1 EDO A 104 coo 2.11 4.00 19.31 3.14 4.86 19.99 33.21 -40.76 2.65 34.69 -40.59 2.55 coo 2.45 5.53 11.28 3.59 7.56 13.29 25.02 -40.81 1.35 23.83 -38.19 0.28 coo 6.10 2.00 25.24 6.12 1.84 23.13 35.47 -42.81 11.09 36.89 -44.38 11.18 1xs1_c07 source 1xs1 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASE : 4 hits 1xs1_c07 naa= 3 ULMN 3 1xs1_c08 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 1 3 # 1 C 124 ALA B 69 ALA~? 3.93 C1 EDO A 104 C 126 ARG B 68 ARG~? 13.19 C1 EDO A 104 C 138 GLU A 36 GLU.? 4.60 C2 EDO A 104 coo -4.54 -7.50 19.94 -4.33 -8.73 20.82 27.47 -41.30 18.33 27.70 -39.80 18.34 coo -3.14 -9.40 12.05 -1.75 -11.23 14.08 31.65 -46.03 15.78 32.85 -48.29 14.05 coo -8.56 -9.50 25.72 -8.77 -9.47 23.62 25.24 -36.15 22.76 23.21 -36.44 22.19 ULMN 3 1xs1_c08 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 2 3 # 2 C 124 ALA B 69 ALA~? 3.93 C1 EDO A 104 C 126 ARG B 77 ARG~? 7.48 O2 EDO A 104 C 138 GLU A 36 GLU.? 4.60 C2 EDO A 104 coo -4.54 -7.50 19.94 -4.33 -8.73 20.82 27.47 -41.30 18.33 27.70 -39.80 18.34 coo -3.14 -9.40 12.05 -1.75 -11.23 14.08 21.83 -48.69 21.52 20.83 -47.48 24.21 coo -8.56 -9.50 25.72 -8.77 -9.47 23.62 25.24 -36.15 22.76 23.21 -36.44 22.19 ULMN 3 1xs1_c08 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 3 3 # 3 C 124 ALA B 96 ALA^? 10.33 O2 EDO B 105 C 126 ARG B 4 ARG^? 5.32 O2 EDO B 105 C 138 GLU B 64 GLU~? 15.64 C1 EDO A 104 coo -4.54 -7.50 19.94 -4.33 -8.73 20.82 33.21 -40.76 2.65 34.69 -40.59 2.55 coo -3.14 -9.40 12.05 -1.75 -11.23 14.08 25.02 -40.81 1.35 23.83 -38.19 0.28 coo -8.56 -9.50 25.72 -8.77 -9.47 23.62 35.47 -42.81 11.09 36.89 -44.38 11.18 1xs1_c08 source 1xs1 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASE : 3 hits 1xs1_c08 naa= 3 ULMN 3 1xs1_c09 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 1 3 # 1 D 124 ALA B 69 ALA~? 3.93 C1 EDO A 104 D 126 ARG B 68 ARG~? 13.19 C1 EDO A 104 D 138 GLU A 36 GLU.? 4.60 C2 EDO A 104 coo 2.08 -1.49 62.94 3.12 -2.39 62.28 27.47 -41.30 18.33 27.70 -39.80 18.34 coo 2.52 -3.11 70.84 3.63 -5.24 68.92 31.65 -46.03 15.78 32.85 -48.29 14.05 coo 6.23 0.50 57.10 5.93 0.72 59.19 25.24 -36.15 22.76 23.21 -36.44 22.19 ULMN 3 1xs1_c09 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 2 3 # 2 D 124 ALA B 69 ALA~? 3.93 C1 EDO A 104 D 126 ARG B 77 ARG~? 7.48 O2 EDO A 104 D 138 GLU A 36 GLU.? 4.60 C2 EDO A 104 coo 2.08 -1.49 62.94 3.12 -2.39 62.28 27.47 -41.30 18.33 27.70 -39.80 18.34 coo 2.52 -3.11 70.84 3.63 -5.24 68.92 21.83 -48.69 21.52 20.83 -47.48 24.21 coo 6.23 0.50 57.10 5.93 0.72 59.19 25.24 -36.15 22.76 23.21 -36.44 22.19 ULMN 3 1xs1_c09 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 3 3 # 3 D 124 ALA B 96 ALA^? 10.33 O2 EDO B 105 D 126 ARG B 4 ARG^? 5.32 O2 EDO B 105 D 138 GLU B 64 GLU~? 15.64 C1 EDO A 104 coo 2.08 -1.49 62.94 3.12 -2.39 62.28 33.21 -40.76 2.65 34.69 -40.59 2.55 coo 2.52 -3.11 70.84 3.63 -5.24 68.92 25.02 -40.81 1.35 23.83 -38.19 0.28 coo 6.23 0.50 57.10 5.93 0.72 59.19 35.47 -42.81 11.09 36.89 -44.38 11.18 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 B 69 ALA~? 3.93 C1 EDO A 104 E 126 ARG B 68 ARG~? 13.19 C1 EDO A 104 E 138 GLU A 36 GLU.? 4.60 C2 EDO A 104 coo -4.56 10.03 62.36 -4.38 11.31 61.55 27.47 -41.30 18.33 27.70 -39.80 18.34 coo -3.02 12.00 70.07 -1.94 13.84 67.82 31.65 -46.03 15.78 32.85 -48.29 14.05 coo -8.67 12.22 56.54 -8.68 12.09 58.65 25.24 -36.15 22.76 23.21 -36.44 22.19 ULMN 3 1xs1_c10 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 2 3 # 2 E 124 ALA B 69 ALA~? 3.93 C1 EDO A 104 E 126 ARG B 77 ARG~? 7.48 O2 EDO A 104 E 138 GLU A 36 GLU.? 4.60 C2 EDO A 104 coo -4.56 10.03 62.36 -4.38 11.31 61.55 27.47 -41.30 18.33 27.70 -39.80 18.34 coo -3.02 12.00 70.07 -1.94 13.84 67.82 21.83 -48.69 21.52 20.83 -47.48 24.21 coo -8.67 12.22 56.54 -8.68 12.09 58.65 25.24 -36.15 22.76 23.21 -36.44 22.19 ULMN 3 1xs1_c10 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 3 3 # 3 E 124 ALA B 96 ALA^? 10.33 O2 EDO B 105 E 126 ARG B 4 ARG^? 5.32 O2 EDO B 105 E 138 GLU B 64 GLU~? 15.64 C1 EDO A 104 coo -4.56 10.03 62.36 -4.38 11.31 61.55 33.21 -40.76 2.65 34.69 -40.59 2.55 coo -3.02 12.00 70.07 -1.94 13.84 67.82 25.02 -40.81 1.35 23.83 -38.19 0.28 coo -8.67 12.22 56.54 -8.68 12.09 58.65 35.47 -42.81 11.09 36.89 -44.38 11.18 1xs1_c10 source 1xs1 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASE : 3 hits 1xs1_c10 naa= 3 ULMN 3 1xs1_c11 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 1 3 # 1 F 124 ALA B 69 ALA~? 3.93 C1 EDO A 104 F 126 ARG B 68 ARG~? 13.19 C1 EDO A 104 F 138 GLU A 36 GLU.? 4.60 C2 EDO A 104 coo -11.15 -1.53 62.85 -12.44 -2.03 62.23 27.47 -41.30 18.33 27.70 -39.80 18.34 coo -13.16 -0.52 70.77 -15.41 -0.40 68.66 31.65 -46.03 15.78 32.85 -48.29 14.05 coo -11.26 -6.31 57.37 -11.02 -6.31 59.47 25.24 -36.15 22.76 23.21 -36.44 22.19 ULMN 3 1xs1_c11 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 2 3 # 2 F 124 ALA B 69 ALA~? 3.93 C1 EDO A 104 F 126 ARG B 77 ARG~? 7.48 O2 EDO A 104 F 138 GLU A 36 GLU.? 4.60 C2 EDO A 104 coo -11.15 -1.53 62.85 -12.44 -2.03 62.23 27.47 -41.30 18.33 27.70 -39.80 18.34 coo -13.16 -0.52 70.77 -15.41 -0.40 68.66 21.83 -48.69 21.52 20.83 -47.48 24.21 coo -11.26 -6.31 57.37 -11.02 -6.31 59.47 25.24 -36.15 22.76 23.21 -36.44 22.19 ULMN 3 1xs1_c11 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 3 3 # 3 F 124 ALA B 96 ALA^? 10.33 O2 EDO B 105 F 126 ARG B 4 ARG^? 5.32 O2 EDO B 105 F 138 GLU B 64 GLU~? 15.64 C1 EDO A 104 coo -11.15 -1.53 62.85 -12.44 -2.03 62.23 33.21 -40.76 2.65 34.69 -40.59 2.55 coo -13.16 -0.52 70.77 -15.41 -0.40 68.66 25.02 -40.81 1.35 23.83 -38.19 0.28 coo -11.26 -6.31 57.37 -11.02 -6.31 59.47 35.47 -42.81 11.09 36.89 -44.38 11.18 1xs1_c11 source 1xs1 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASE : 3 hits 1xs1_c11 naa= 3 ULMN 3 1xva_c03 GLYCINE N-METHYLTRANSFERASE user 1 3 # 1 B 137 GLY A 63 GLY~? 7.63 O1 EDO A 104 B 175 ARG A 68 ARG~? 7.24 O1 EDO A 102 B 242 TYR A 70 TYR~? 4.47 O2 EDO A 103s coo 99.45 58.28 3.33 99.57 58.61 4.10 31.00 -33.26 21.28 30.66 -32.93 21.92 coo 106.37 63.53 0.89 108.02 63.40 -1.62 26.63 -25.29 20.33 28.77 -23.06 20.70 coo 100.93 69.04 4.38 99.52 68.48 2.09 23.80 -29.17 27.91 24.12 -28.60 30.60 ULMN 3 1xva_c03 GLYCINE N-METHYLTRANSFERASE user 2 3 # 2 B 137 GLY B 63 GLY~? 12.65 C1 EDO B 105 B 175 ARG B 68 ARG~? 13.19 C1 EDO A 104 B 242 TYR B 70 TYR~? -4.61 O ACT B 102s coo 99.45 58.28 3.33 99.57 58.61 4.10 33.32 -38.00 11.08 32.56 -38.25 11.10 coo 106.37 63.53 0.89 108.02 63.40 -1.62 31.65 -46.03 15.78 32.85 -48.29 14.05 coo 100.93 69.04 4.38 99.52 68.48 2.09 23.57 -42.42 13.63 21.81 -43.83 12.00 1xva_c03 source 1xva GLYCINE N-METHYLTRANSFERASE : 2 hits 1xva_c03 naa= 3 ULMN 3 1zrz_c03 PROTEIN KINASE C, IOTA user 1 3 # 1 A 369 ASP A 60 ASP^? 9.96 C2 EDO A 103 A 371 LYS A 38 LYS^? -2.86 O1 EDO A 104s A 374 ASN A -5 ASN.? -7.74 O1 EDO A 104s coo -5.17 31.09 15.73 -7.07 31.12 16.73 31.34 -34.21 31.28 32.49 -33.56 32.90 coo -4.43 30.92 22.89 -6.61 31.91 19.71 27.72 -37.88 30.49 27.16 -40.68 26.03 coo -4.84 27.04 20.49 -6.40 27.76 19.26 29.90 -41.58 32.00 29.84 -42.46 30.04 1zrz_c03 source 1zrz PROTEIN KINASE C, IOTA : 1 hits 1zrz_c03 naa= 3 ULMN 3 2aat_c01 ASPARTATE AMINOTRANSFERASE (E.C.2.6.user 1 3 # 1 142 TRP A 11 TRP^? -6.24 C2 EDO A 108s 223 ASP A 13 ASP.? 6.05 O1 EDO A 108 258 ALA A 84 ALA~? 8.60 O1 NBZ A 112 coo 128.40 33.01 26.67 128.12 36.28 28.81 24.54 -16.95 45.68 23.23 -18.62 42.38 coo 127.91 41.73 23.55 129.18 40.35 24.44 21.76 -7.39 47.19 23.64 -6.46 47.40 coo 141.00 37.49 25.74 139.80 37.53 24.78 19.43 -15.24 35.49 18.78 -15.05 34.12 ULMN 3 2aat_c01 ASPARTATE AMINOTRANSFERASE (E.C.2.6.user 2 3 # 2 142 TRP A 11 TRP^? -6.24 C2 EDO A 108s 223 ASP A 45 ASP.? -3.72 C2 EDO A 111s 258 ALA A 7 ALA^? -3.45 O2 NBZ A 112s coo 128.40 33.01 26.67 128.12 36.28 28.81 24.54 -16.95 45.68 23.23 -18.62 42.38 coo 127.91 41.73 23.55 129.18 40.35 24.44 31.14 -21.11 47.49 33.11 -20.89 48.17 coo 141.00 37.49 25.74 139.80 37.53 24.78 30.02 -21.91 35.07 28.58 -21.67 34.58 ULMN 3 2aat_c01 ASPARTATE AMINOTRANSFERASE (E.C.2.6.user 3 3 # 3 142 TRP A 11 TRP^? -6.24 C2 EDO A 108s 223 ASP A 89 ASP^? -2.90 O1 EDO A 107s 258 ALA A 50 ALA.? 5.15 O2 EDO A 109 coo 128.40 33.01 26.67 128.12 36.28 28.81 24.54 -16.95 45.68 23.23 -18.62 42.38 coo 127.91 41.73 23.55 129.18 40.35 24.44 29.57 -11.85 38.15 30.81 -11.99 36.52 coo 141.00 37.49 25.74 139.80 37.53 24.78 37.99 -15.23 50.84 38.91 -14.30 51.64 ULMN 3 2aat_c01 ASPARTATE AMINOTRANSFERASE (E.C.2.6.user 4 3 # 4 142 TRP B 11 TRP^? 11.38 CH3 ACT B 102 223 ASP B 13 ASP.? 22.26 CH3 ACT B 102 258 ALA B 84 ALA~? 10.43 CH3 ACT B 102 coo 128.40 33.01 26.67 128.12 36.28 28.81 9.43 -54.30 4.04 11.42 -52.69 7.00 coo 127.91 41.73 23.55 129.18 40.35 24.44 6.46 -63.72 5.72 6.54 -64.46 3.76 coo 141.00 37.49 25.74 139.80 37.53 24.78 14.83 -55.91 13.99 15.49 -56.07 15.37 ULMN 3 2aat_c01 ASPARTATE AMINOTRANSFERASE (E.C.2.6.user 5 3 # 5 142 TRP B 11 TRP^? 11.38 CH3 ACT B 102 223 ASP B 45 ASP.? 12.26 O2 EDO B 104 258 ALA B 7 ALA^? 5.66 OXT ACT B 102 coo 128.40 33.01 26.67 128.12 36.28 28.81 9.43 -54.30 4.04 11.42 -52.69 7.00 coo 127.91 41.73 23.55 129.18 40.35 24.44 11.53 -50.18 -2.63 12.16 -50.45 -4.66 coo 141.00 37.49 25.74 139.80 37.53 24.78 21.07 -49.33 5.22 20.64 -49.53 6.65 ULMN 3 2aat_c01 ASPARTATE AMINOTRANSFERASE (E.C.2.6.user 6 3 # 6 142 TRP B 11 TRP^? 11.38 CH3 ACT B 102 223 ASP B 89 ASP^? 14.56 OXT ACT B 102 258 ALA B 50 ALA.? 21.64 O2 EDO B 104 coo 128.40 33.01 26.67 128.12 36.28 28.81 9.43 -54.30 4.04 11.42 -52.69 7.00 coo 127.91 41.73 23.55 129.18 40.35 24.44 18.24 -59.30 3.92 20.30 -59.15 3.66 coo 141.00 37.49 25.74 139.80 37.53 24.78 12.59 -56.19 -10.12 12.60 -57.13 -11.34 2aat_c01 source 2aat ASPARTATE AMINOTRANSFERASE (E.C.2.6.1.1) MUTAN: 6 hits 2aat_c01 naa= 3 ULMN 3 2ag0_c04 BENZALDEHYDE LYASE user 1 3 # 1 B 29 HIS A 5 HIS^? 3.66 C2 EDO A 102s B 50 GLU A 36 GLU.? 4.60 C2 EDO A 104 B 113 GLN A 71 GLN~? -4.00 O1 EDO A 102s coo 37.74 -17.01 11.59 38.11 -17.83 13.49 29.39 -25.70 30.68 28.57 -23.87 31.25 coo 46.64 -18.37 3.41 46.45 -20.27 4.34 25.24 -36.15 22.76 23.21 -36.44 22.19 coo 42.38 -20.40 13.90 41.08 -20.72 12.22 24.64 -24.43 24.90 25.74 -23.20 23.58 ULMN 3 2ag0_c04 BENZALDEHYDE LYASE user 2 3 # 2 B 29 HIS A 5 HIS^? 3.66 C2 EDO A 102s B 50 GLU A 64 GLU~? 12.93 C1 EDO A 102 B 113 GLN A 71 GLN~? -4.00 O1 EDO A 102s coo 37.74 -17.01 11.59 38.11 -17.83 13.49 29.39 -25.70 30.68 28.57 -23.87 31.25 coo 46.64 -18.37 3.41 46.45 -20.27 4.34 32.22 -28.58 19.32 33.17 -27.36 17.86 coo 42.38 -20.40 13.90 41.08 -20.72 12.22 24.64 -24.43 24.90 25.74 -23.20 23.58 ULMN 3 2ag0_c04 BENZALDEHYDE LYASE user 3 3 # 3 B 29 HIS A 76 HIS~? 3.91 O2 EDO A 102s B 50 GLU A 36 GLU.? 4.60 C2 EDO A 104 B 113 GLN A 71 GLN~? -4.00 O1 EDO A 102s coo 37.74 -17.01 11.59 38.11 -17.83 13.49 20.68 -25.44 29.29 22.44 -24.37 29.64 coo 46.64 -18.37 3.41 46.45 -20.27 4.34 25.24 -36.15 22.76 23.21 -36.44 22.19 coo 42.38 -20.40 13.90 41.08 -20.72 12.22 24.64 -24.43 24.90 25.74 -23.20 23.58 ULMN 3 2ag0_c04 BENZALDEHYDE LYASE user 4 3 # 4 B 29 HIS B 5 HIS^? 5.90 OXT ACT B 102 B 50 GLU B 36 GLU.? 4.68 C1 EDO A 104 B 113 GLN B 71 GLN~? 10.01 OXT ACT B 102 coo 37.74 -17.01 11.59 38.11 -17.83 13.49 24.56 -45.54 8.01 23.59 -47.34 8.47 coo 46.64 -18.37 3.41 46.45 -20.27 4.34 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 42.38 -20.40 13.90 41.08 -20.72 12.22 26.83 -46.80 14.76 28.45 -48.23 14.84 ULMN 3 2ag0_c04 BENZALDEHYDE LYASE user 5 3 # 5 B 29 HIS B 5 HIS^? 5.90 OXT ACT B 102 B 50 GLU B 64 GLU~? 15.64 C1 EDO A 104 B 113 GLN B 71 GLN~? 10.01 OXT ACT B 102 coo 37.74 -17.01 11.59 38.11 -17.83 13.49 24.56 -45.54 8.01 23.59 -47.34 8.47 coo 46.64 -18.37 3.41 46.45 -20.27 4.34 35.47 -42.81 11.09 36.89 -44.38 11.18 coo 42.38 -20.40 13.90 41.08 -20.72 12.22 26.83 -46.80 14.76 28.45 -48.23 14.84 ULMN 3 2ag0_c04 BENZALDEHYDE LYASE user 6 3 # 6 B 29 HIS B 76 HIS~? -3.94 OXT ACT B 102s B 50 GLU A 36 GLU.? 4.60 C2 EDO A 104 B 113 GLN B 71 GLN~? 10.01 OXT ACT B 102 coo 37.74 -17.01 11.59 38.11 -17.83 13.49 20.42 -45.46 15.69 21.14 -46.68 14.13 coo 46.64 -18.37 3.41 46.45 -20.27 4.34 25.24 -36.15 22.76 23.21 -36.44 22.19 coo 42.38 -20.40 13.90 41.08 -20.72 12.22 26.83 -46.80 14.76 28.45 -48.23 14.84 ULMN 3 2ag0_c04 BENZALDEHYDE LYASE user 7 3 # 7 B 29 HIS B 76 HIS~? -3.94 OXT ACT B 102s B 50 GLU B 36 GLU.? 4.68 C1 EDO A 104 B 113 GLN B 71 GLN~? 10.01 OXT ACT B 102 coo 37.74 -17.01 11.59 38.11 -17.83 13.49 20.42 -45.46 15.69 21.14 -46.68 14.13 coo 46.64 -18.37 3.41 46.45 -20.27 4.34 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 42.38 -20.40 13.90 41.08 -20.72 12.22 26.83 -46.80 14.76 28.45 -48.23 14.84 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 5 HIS^? 3.66 C2 EDO A 102s B 50 GLU A 36 GLU.? 4.60 C2 EDO A 104 B 113 GLN A 71 GLN~? -4.00 O1 EDO A 102s coo 37.74 -17.01 11.59 38.11 -17.83 13.49 29.39 -25.70 30.68 28.57 -23.87 31.25 coo 46.64 -18.37 3.41 46.45 -20.27 4.34 25.24 -36.15 22.76 23.21 -36.44 22.19 coo 42.38 -20.40 13.90 41.08 -20.72 12.22 24.64 -24.43 24.90 25.74 -23.20 23.58 ULMN 3 2ag0_c08 BENZALDEHYDE LYASE user 2 3 # 2 B 29 HIS A 5 HIS^? 3.66 C2 EDO A 102s B 50 GLU A 64 GLU~? 12.93 C1 EDO A 102 B 113 GLN A 71 GLN~? -4.00 O1 EDO A 102s coo 37.74 -17.01 11.59 38.11 -17.83 13.49 29.39 -25.70 30.68 28.57 -23.87 31.25 coo 46.64 -18.37 3.41 46.45 -20.27 4.34 32.22 -28.58 19.32 33.17 -27.36 17.86 coo 42.38 -20.40 13.90 41.08 -20.72 12.22 24.64 -24.43 24.90 25.74 -23.20 23.58 ULMN 3 2ag0_c08 BENZALDEHYDE LYASE user 3 3 # 3 B 29 HIS A 76 HIS~? 3.91 O2 EDO A 102s B 50 GLU A 36 GLU.? 4.60 C2 EDO A 104 B 113 GLN A 71 GLN~? -4.00 O1 EDO A 102s coo 37.74 -17.01 11.59 38.11 -17.83 13.49 20.68 -25.44 29.29 22.44 -24.37 29.64 coo 46.64 -18.37 3.41 46.45 -20.27 4.34 25.24 -36.15 22.76 23.21 -36.44 22.19 coo 42.38 -20.40 13.90 41.08 -20.72 12.22 24.64 -24.43 24.90 25.74 -23.20 23.58 ULMN 3 2ag0_c08 BENZALDEHYDE LYASE user 4 3 # 4 B 29 HIS B 5 HIS^? 5.90 OXT ACT B 102 B 50 GLU B 36 GLU.? 4.68 C1 EDO A 104 B 113 GLN B 71 GLN~? 10.01 OXT ACT B 102 coo 37.74 -17.01 11.59 38.11 -17.83 13.49 24.56 -45.54 8.01 23.59 -47.34 8.47 coo 46.64 -18.37 3.41 46.45 -20.27 4.34 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 42.38 -20.40 13.90 41.08 -20.72 12.22 26.83 -46.80 14.76 28.45 -48.23 14.84 ULMN 3 2ag0_c08 BENZALDEHYDE LYASE user 5 3 # 5 B 29 HIS B 5 HIS^? 5.90 OXT ACT B 102 B 50 GLU B 64 GLU~? 15.64 C1 EDO A 104 B 113 GLN B 71 GLN~? 10.01 OXT ACT B 102 coo 37.74 -17.01 11.59 38.11 -17.83 13.49 24.56 -45.54 8.01 23.59 -47.34 8.47 coo 46.64 -18.37 3.41 46.45 -20.27 4.34 35.47 -42.81 11.09 36.89 -44.38 11.18 coo 42.38 -20.40 13.90 41.08 -20.72 12.22 26.83 -46.80 14.76 28.45 -48.23 14.84 ULMN 3 2ag0_c08 BENZALDEHYDE LYASE user 6 3 # 6 B 29 HIS B 76 HIS~? -3.94 OXT ACT B 102s B 50 GLU A 36 GLU.? 4.60 C2 EDO A 104 B 113 GLN B 71 GLN~? 10.01 OXT ACT B 102 coo 37.74 -17.01 11.59 38.11 -17.83 13.49 20.42 -45.46 15.69 21.14 -46.68 14.13 coo 46.64 -18.37 3.41 46.45 -20.27 4.34 25.24 -36.15 22.76 23.21 -36.44 22.19 coo 42.38 -20.40 13.90 41.08 -20.72 12.22 26.83 -46.80 14.76 28.45 -48.23 14.84 ULMN 3 2ag0_c08 BENZALDEHYDE LYASE user 7 3 # 7 B 29 HIS B 76 HIS~? -3.94 OXT ACT B 102s B 50 GLU B 36 GLU.? 4.68 C1 EDO A 104 B 113 GLN B 71 GLN~? 10.01 OXT ACT B 102 coo 37.74 -17.01 11.59 38.11 -17.83 13.49 20.42 -45.46 15.69 21.14 -46.68 14.13 coo 46.64 -18.37 3.41 46.45 -20.27 4.34 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 42.38 -20.40 13.90 41.08 -20.72 12.22 26.83 -46.80 14.76 28.45 -48.23 14.84 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 5 HIS^? 3.66 C2 EDO A 102s A 50 GLU A 36 GLU.? 4.60 C2 EDO A 104 A 113 GLN A 71 GLN~? -4.00 O1 EDO A 102s coo 73.37 -13.43 4.64 73.06 -11.77 3.39 29.39 -25.70 30.68 28.57 -23.87 31.25 coo 63.97 -21.08 5.81 64.12 -20.78 3.71 25.24 -36.15 22.76 23.21 -36.44 22.19 coo 68.60 -11.76 1.04 69.76 -13.55 1.03 24.64 -24.43 24.90 25.74 -23.20 23.58 ULMN 3 2ag0_c09 BENZALDEHYDE LYASE user 2 3 # 2 A 29 HIS A 5 HIS^? 3.66 C2 EDO A 102s A 50 GLU A 64 GLU~? 12.93 C1 EDO A 102 A 113 GLN A 71 GLN~? -4.00 O1 EDO A 102s coo 73.37 -13.43 4.64 73.06 -11.77 3.39 29.39 -25.70 30.68 28.57 -23.87 31.25 coo 63.97 -21.08 5.81 64.12 -20.78 3.71 32.22 -28.58 19.32 33.17 -27.36 17.86 coo 68.60 -11.76 1.04 69.76 -13.55 1.03 24.64 -24.43 24.90 25.74 -23.20 23.58 ULMN 3 2ag0_c09 BENZALDEHYDE LYASE user 3 3 # 3 A 29 HIS A 76 HIS~? 3.91 O2 EDO A 102s A 50 GLU A 36 GLU.? 4.60 C2 EDO A 104 A 113 GLN A 71 GLN~? -4.00 O1 EDO A 102s coo 73.37 -13.43 4.64 73.06 -11.77 3.39 20.68 -25.44 29.29 22.44 -24.37 29.64 coo 63.97 -21.08 5.81 64.12 -20.78 3.71 25.24 -36.15 22.76 23.21 -36.44 22.19 coo 68.60 -11.76 1.04 69.76 -13.55 1.03 24.64 -24.43 24.90 25.74 -23.20 23.58 ULMN 3 2ag0_c09 BENZALDEHYDE LYASE user 4 3 # 4 A 29 HIS B 5 HIS^? 5.90 OXT ACT B 102 A 50 GLU B 36 GLU.? 4.68 C1 EDO A 104 A 113 GLN B 71 GLN~? 10.01 OXT ACT B 102 coo 73.37 -13.43 4.64 73.06 -11.77 3.39 24.56 -45.54 8.01 23.59 -47.34 8.47 coo 63.97 -21.08 5.81 64.12 -20.78 3.71 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 68.60 -11.76 1.04 69.76 -13.55 1.03 26.83 -46.80 14.76 28.45 -48.23 14.84 ULMN 3 2ag0_c09 BENZALDEHYDE LYASE user 5 3 # 5 A 29 HIS B 5 HIS^? 5.90 OXT ACT B 102 A 50 GLU B 64 GLU~? 15.64 C1 EDO A 104 A 113 GLN B 71 GLN~? 10.01 OXT ACT B 102 coo 73.37 -13.43 4.64 73.06 -11.77 3.39 24.56 -45.54 8.01 23.59 -47.34 8.47 coo 63.97 -21.08 5.81 64.12 -20.78 3.71 35.47 -42.81 11.09 36.89 -44.38 11.18 coo 68.60 -11.76 1.04 69.76 -13.55 1.03 26.83 -46.80 14.76 28.45 -48.23 14.84 ULMN 3 2ag0_c09 BENZALDEHYDE LYASE user 6 3 # 6 A 29 HIS B 76 HIS~? -3.94 OXT ACT B 102s A 50 GLU A 36 GLU.? 4.60 C2 EDO A 104 A 113 GLN B 71 GLN~? 10.01 OXT ACT B 102 coo 73.37 -13.43 4.64 73.06 -11.77 3.39 20.42 -45.46 15.69 21.14 -46.68 14.13 coo 63.97 -21.08 5.81 64.12 -20.78 3.71 25.24 -36.15 22.76 23.21 -36.44 22.19 coo 68.60 -11.76 1.04 69.76 -13.55 1.03 26.83 -46.80 14.76 28.45 -48.23 14.84 ULMN 3 2ag0_c09 BENZALDEHYDE LYASE user 7 3 # 7 A 29 HIS B 76 HIS~? -3.94 OXT ACT B 102s A 50 GLU B 36 GLU.? 4.68 C1 EDO A 104 A 113 GLN B 71 GLN~? 10.01 OXT ACT B 102 coo 73.37 -13.43 4.64 73.06 -11.77 3.39 20.42 -45.46 15.69 21.14 -46.68 14.13 coo 63.97 -21.08 5.81 64.12 -20.78 3.71 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 68.60 -11.76 1.04 69.76 -13.55 1.03 26.83 -46.80 14.76 28.45 -48.23 14.84 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 5 HIS^? 3.66 C2 EDO A 102s C 50 GLU A 36 GLU.? 4.60 C2 EDO A 104 C 113 GLN A 71 GLN~? -4.00 O1 EDO A 102s coo 74.92 8.52 28.42 74.88 6.86 29.70 29.39 -25.70 30.68 28.57 -23.87 31.25 coo 65.25 15.95 28.73 65.73 15.63 30.78 25.24 -36.15 22.76 23.21 -36.44 22.19 coo 70.80 6.73 32.72 71.88 8.55 32.53 24.64 -24.43 24.90 25.74 -23.20 23.58 ULMN 3 2ag0_c10 BENZALDEHYDE LYASE user 2 3 # 2 C 29 HIS A 5 HIS^? 3.66 C2 EDO A 102s C 50 GLU A 64 GLU~? 12.93 C1 EDO A 102 C 113 GLN A 71 GLN~? -4.00 O1 EDO A 102s coo 74.92 8.52 28.42 74.88 6.86 29.70 29.39 -25.70 30.68 28.57 -23.87 31.25 coo 65.25 15.95 28.73 65.73 15.63 30.78 32.22 -28.58 19.32 33.17 -27.36 17.86 coo 70.80 6.73 32.72 71.88 8.55 32.53 24.64 -24.43 24.90 25.74 -23.20 23.58 ULMN 3 2ag0_c10 BENZALDEHYDE LYASE user 3 3 # 3 C 29 HIS A 76 HIS~? 3.91 O2 EDO A 102s C 50 GLU A 36 GLU.? 4.60 C2 EDO A 104 C 113 GLN A 71 GLN~? -4.00 O1 EDO A 102s coo 74.92 8.52 28.42 74.88 6.86 29.70 20.68 -25.44 29.29 22.44 -24.37 29.64 coo 65.25 15.95 28.73 65.73 15.63 30.78 25.24 -36.15 22.76 23.21 -36.44 22.19 coo 70.80 6.73 32.72 71.88 8.55 32.53 24.64 -24.43 24.90 25.74 -23.20 23.58 ULMN 3 2ag0_c10 BENZALDEHYDE LYASE user 4 3 # 4 C 29 HIS B 5 HIS^? 5.90 OXT ACT B 102 C 50 GLU B 36 GLU.? 4.68 C1 EDO A 104 C 113 GLN B 71 GLN~? 10.01 OXT ACT B 102 coo 74.92 8.52 28.42 74.88 6.86 29.70 24.56 -45.54 8.01 23.59 -47.34 8.47 coo 65.25 15.95 28.73 65.73 15.63 30.78 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 70.80 6.73 32.72 71.88 8.55 32.53 26.83 -46.80 14.76 28.45 -48.23 14.84 ULMN 3 2ag0_c10 BENZALDEHYDE LYASE user 5 3 # 5 C 29 HIS B 5 HIS^? 5.90 OXT ACT B 102 C 50 GLU B 64 GLU~? 15.64 C1 EDO A 104 C 113 GLN B 71 GLN~? 10.01 OXT ACT B 102 coo 74.92 8.52 28.42 74.88 6.86 29.70 24.56 -45.54 8.01 23.59 -47.34 8.47 coo 65.25 15.95 28.73 65.73 15.63 30.78 35.47 -42.81 11.09 36.89 -44.38 11.18 coo 70.80 6.73 32.72 71.88 8.55 32.53 26.83 -46.80 14.76 28.45 -48.23 14.84 ULMN 3 2ag0_c10 BENZALDEHYDE LYASE user 6 3 # 6 C 29 HIS B 76 HIS~? -3.94 OXT ACT B 102s C 50 GLU A 36 GLU.? 4.60 C2 EDO A 104 C 113 GLN B 71 GLN~? 10.01 OXT ACT B 102 coo 74.92 8.52 28.42 74.88 6.86 29.70 20.42 -45.46 15.69 21.14 -46.68 14.13 coo 65.25 15.95 28.73 65.73 15.63 30.78 25.24 -36.15 22.76 23.21 -36.44 22.19 coo 70.80 6.73 32.72 71.88 8.55 32.53 26.83 -46.80 14.76 28.45 -48.23 14.84 ULMN 3 2ag0_c10 BENZALDEHYDE LYASE user 7 3 # 7 C 29 HIS B 76 HIS~? -3.94 OXT ACT B 102s C 50 GLU B 36 GLU.? 4.68 C1 EDO A 104 C 113 GLN B 71 GLN~? 10.01 OXT ACT B 102 coo 74.92 8.52 28.42 74.88 6.86 29.70 20.42 -45.46 15.69 21.14 -46.68 14.13 coo 65.25 15.95 28.73 65.73 15.63 30.78 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 70.80 6.73 32.72 71.88 8.55 32.53 26.83 -46.80 14.76 28.45 -48.23 14.84 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 5 HIS^? 3.66 C2 EDO A 102s D 50 GLU A 36 GLU.? 4.60 C2 EDO A 104 D 113 GLN A 71 GLN~? -4.00 O1 EDO A 102s coo 38.66 11.31 27.15 38.67 12.13 25.22 29.39 -25.70 30.68 28.57 -23.87 31.25 coo 48.72 12.85 33.83 48.36 14.77 32.95 25.24 -36.15 22.76 23.21 -36.44 22.19 coo 42.85 14.77 24.15 41.85 15.11 26.02 24.64 -24.43 24.90 25.74 -23.20 23.58 ULMN 3 2ag0_c11 BENZALDEHYDE LYASE user 2 3 # 2 D 29 HIS A 5 HIS^? 3.66 C2 EDO A 102s D 50 GLU A 64 GLU~? 12.93 C1 EDO A 102 D 113 GLN A 71 GLN~? -4.00 O1 EDO A 102s coo 38.66 11.31 27.15 38.67 12.13 25.22 29.39 -25.70 30.68 28.57 -23.87 31.25 coo 48.72 12.85 33.83 48.36 14.77 32.95 32.22 -28.58 19.32 33.17 -27.36 17.86 coo 42.85 14.77 24.15 41.85 15.11 26.02 24.64 -24.43 24.90 25.74 -23.20 23.58 ULMN 3 2ag0_c11 BENZALDEHYDE LYASE user 3 3 # 3 D 29 HIS A 76 HIS~? 3.91 O2 EDO A 102s D 50 GLU A 36 GLU.? 4.60 C2 EDO A 104 D 113 GLN A 71 GLN~? -4.00 O1 EDO A 102s coo 38.66 11.31 27.15 38.67 12.13 25.22 20.68 -25.44 29.29 22.44 -24.37 29.64 coo 48.72 12.85 33.83 48.36 14.77 32.95 25.24 -36.15 22.76 23.21 -36.44 22.19 coo 42.85 14.77 24.15 41.85 15.11 26.02 24.64 -24.43 24.90 25.74 -23.20 23.58 ULMN 3 2ag0_c11 BENZALDEHYDE LYASE user 4 3 # 4 D 29 HIS B 5 HIS^? 5.90 OXT ACT B 102 D 50 GLU B 36 GLU.? 4.68 C1 EDO A 104 D 113 GLN B 71 GLN~? 10.01 OXT ACT B 102 coo 38.66 11.31 27.15 38.67 12.13 25.22 24.56 -45.54 8.01 23.59 -47.34 8.47 coo 48.72 12.85 33.83 48.36 14.77 32.95 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 42.85 14.77 24.15 41.85 15.11 26.02 26.83 -46.80 14.76 28.45 -48.23 14.84 ULMN 3 2ag0_c11 BENZALDEHYDE LYASE user 5 3 # 5 D 29 HIS B 5 HIS^? 5.90 OXT ACT B 102 D 50 GLU B 64 GLU~? 15.64 C1 EDO A 104 D 113 GLN B 71 GLN~? 10.01 OXT ACT B 102 coo 38.66 11.31 27.15 38.67 12.13 25.22 24.56 -45.54 8.01 23.59 -47.34 8.47 coo 48.72 12.85 33.83 48.36 14.77 32.95 35.47 -42.81 11.09 36.89 -44.38 11.18 coo 42.85 14.77 24.15 41.85 15.11 26.02 26.83 -46.80 14.76 28.45 -48.23 14.84 ULMN 3 2ag0_c11 BENZALDEHYDE LYASE user 6 3 # 6 D 29 HIS B 76 HIS~? -3.94 OXT ACT B 102s D 50 GLU A 36 GLU.? 4.60 C2 EDO A 104 D 113 GLN B 71 GLN~? 10.01 OXT ACT B 102 coo 38.66 11.31 27.15 38.67 12.13 25.22 20.42 -45.46 15.69 21.14 -46.68 14.13 coo 48.72 12.85 33.83 48.36 14.77 32.95 25.24 -36.15 22.76 23.21 -36.44 22.19 coo 42.85 14.77 24.15 41.85 15.11 26.02 26.83 -46.80 14.76 28.45 -48.23 14.84 ULMN 3 2ag0_c11 BENZALDEHYDE LYASE user 7 3 # 7 D 29 HIS B 76 HIS~? -3.94 OXT ACT B 102s D 50 GLU B 36 GLU.? 4.68 C1 EDO A 104 D 113 GLN B 71 GLN~? 10.01 OXT ACT B 102 coo 38.66 11.31 27.15 38.67 12.13 25.22 20.42 -45.46 15.69 21.14 -46.68 14.13 coo 48.72 12.85 33.83 48.36 14.77 32.95 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 42.85 14.77 24.15 41.85 15.11 26.02 26.83 -46.80 14.76 28.45 -48.23 14.84 2ag0_c11 source 2ag0 BENZALDEHYDE LYASE : 7 hits 2ag0_c11 naa= 3 ULMN 3 2amg_c02 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 1 3 # 1 193 ASP A 62 ASP^? -3.71 O1 EDO A 104s 219 GLU B 36 GLU.? 4.68 C1 EDO A 104 294 ASP B 65 ASP~? 10.18 C1 EDO A 104 coo 27.89 102.52 14.98 29.35 101.92 13.57 29.38 -36.88 23.98 30.56 -38.20 22.76 coo 25.84 105.87 9.06 27.86 105.55 8.74 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 33.16 106.80 7.72 33.34 104.87 6.92 33.69 -38.88 16.48 35.60 -39.38 17.27 ULMN 3 2amg_c02 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 2 3 # 2 193 ASP A 62 ASP^? -3.71 O1 EDO A 104s 219 GLU B 36 GLU.? 4.68 C1 EDO A 104 294 ASP B 72 ASP~? -3.91 O2 EDO A 104s coo 27.89 102.52 14.98 29.35 101.92 13.57 29.38 -36.88 23.98 30.56 -38.20 22.76 coo 25.84 105.87 9.06 27.86 105.55 8.74 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 33.16 106.80 7.72 33.34 104.87 6.92 26.38 -44.91 20.83 26.53 -45.26 22.94 ULMN 3 2amg_c02 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 3 3 # 3 193 ASP B 65 ASP~? 10.18 C1 EDO A 104 219 GLU B 36 GLU.? 4.68 C1 EDO A 104 294 ASP A 62 ASP^? -3.71 O1 EDO A 104s coo 27.89 102.52 14.98 29.35 101.92 13.57 33.69 -38.88 16.48 35.60 -39.38 17.27 coo 25.84 105.87 9.06 27.86 105.55 8.74 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 33.16 106.80 7.72 33.34 104.87 6.92 29.38 -36.88 23.98 30.56 -38.20 22.76 ULMN 3 2amg_c02 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 4 3 # 4 193 ASP B 65 ASP~? 10.18 C1 EDO A 104 219 GLU B 36 GLU.? 4.68 C1 EDO A 104 294 ASP B 72 ASP~? -3.91 O2 EDO A 104s coo 27.89 102.52 14.98 29.35 101.92 13.57 33.69 -38.88 16.48 35.60 -39.38 17.27 coo 25.84 105.87 9.06 27.86 105.55 8.74 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 33.16 106.80 7.72 33.34 104.87 6.92 26.38 -44.91 20.83 26.53 -45.26 22.94 ULMN 3 2amg_c02 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 5 3 # 5 193 ASP B 72 ASP~? -3.91 O2 EDO A 104s 219 GLU B 36 GLU.? 4.68 C1 EDO A 104 294 ASP A 62 ASP^? -3.71 O1 EDO A 104s coo 27.89 102.52 14.98 29.35 101.92 13.57 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 25.84 105.87 9.06 27.86 105.55 8.74 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 33.16 106.80 7.72 33.34 104.87 6.92 29.38 -36.88 23.98 30.56 -38.20 22.76 ULMN 3 2amg_c02 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 6 3 # 6 193 ASP B 72 ASP~? -3.91 O2 EDO A 104s 219 GLU B 36 GLU.? 4.68 C1 EDO A 104 294 ASP B 65 ASP~? 10.18 C1 EDO A 104 coo 27.89 102.52 14.98 29.35 101.92 13.57 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 25.84 105.87 9.06 27.86 105.55 8.74 26.07 -36.88 17.25 24.74 -37.15 18.88 coo 33.16 106.80 7.72 33.34 104.87 6.92 33.69 -38.88 16.48 35.60 -39.38 17.27 2amg_c02 source 2amg 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLASE : 6 hits 2amg_c02 naa= 3 ULMN 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 1 3 # 1 193 ASP A 54 ASP.? 2.78 C2 EDO A 108s 231 ASP A 60 ASP^? 9.96 C2 EDO A 103 294 ASP A 89 ASP^? -2.90 O1 EDO A 107s coo 27.89 102.52 14.98 29.35 101.92 13.57 27.81 -17.65 45.48 28.28 -15.77 46.28 coo 14.74 93.05 -1.00 14.30 94.22 0.73 31.34 -34.21 31.28 32.49 -33.56 32.90 coo 33.16 106.80 7.72 33.34 104.87 6.92 29.57 -11.85 38.15 30.81 -11.99 36.52 ULMN 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 2 3 # 2 193 ASP A 54 ASP.? 2.78 C2 EDO A 108s 231 ASP A 75 ASP~? -3.37 CL CL A 101s 294 ASP A 89 ASP^? -2.90 O1 EDO A 107s coo 27.89 102.52 14.98 29.35 101.92 13.57 27.81 -17.65 45.48 28.28 -15.77 46.28 coo 14.74 93.05 -1.00 14.30 94.22 0.73 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 33.16 106.80 7.72 33.34 104.87 6.92 29.57 -11.85 38.15 30.81 -11.99 36.52 ULMN 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 3 3 # 3 193 ASP A 72 ASP~? 9.41 O1 EDO A 102 231 ASP A 89 ASP^? -2.90 O1 EDO A 107s 294 ASP A 75 ASP~? -3.37 CL CL A 101s coo 27.89 102.52 14.98 29.35 101.92 13.57 19.04 -26.10 21.93 20.11 -24.78 20.72 coo 14.74 93.05 -1.00 14.30 94.22 0.73 29.57 -11.85 38.15 30.81 -11.99 36.52 coo 33.16 106.80 7.72 33.34 104.87 6.92 16.12 -29.42 31.11 14.94 -31.11 31.50 ULMN 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 4 3 # 4 193 ASP A 75 ASP~? -3.37 CL CL A 101s 231 ASP A 54 ASP.? 2.78 C2 EDO A 108s 294 ASP A 72 ASP~? 9.41 O1 EDO A 102 coo 27.89 102.52 14.98 29.35 101.92 13.57 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 14.74 93.05 -1.00 14.30 94.22 0.73 27.81 -17.65 45.48 28.28 -15.77 46.28 coo 33.16 106.80 7.72 33.34 104.87 6.92 19.04 -26.10 21.93 20.11 -24.78 20.72 ULMN 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 5 3 # 5 193 ASP A 75 ASP~? -3.37 CL CL A 101s 231 ASP A 89 ASP^? -2.90 O1 EDO A 107s 294 ASP A 72 ASP~? 9.41 O1 EDO A 102 coo 27.89 102.52 14.98 29.35 101.92 13.57 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 14.74 93.05 -1.00 14.30 94.22 0.73 29.57 -11.85 38.15 30.81 -11.99 36.52 coo 33.16 106.80 7.72 33.34 104.87 6.92 19.04 -26.10 21.93 20.11 -24.78 20.72 ULMN 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 6 3 # 6 193 ASP A 89 ASP^? -2.90 O1 EDO A 107s 231 ASP A 72 ASP~? 9.41 O1 EDO A 102 294 ASP A 54 ASP.? 2.78 C2 EDO A 108s coo 27.89 102.52 14.98 29.35 101.92 13.57 29.57 -11.85 38.15 30.81 -11.99 36.52 coo 14.74 93.05 -1.00 14.30 94.22 0.73 19.04 -26.10 21.93 20.11 -24.78 20.72 coo 33.16 106.80 7.72 33.34 104.87 6.92 27.81 -17.65 45.48 28.28 -15.77 46.28 ULMN 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 7 3 # 7 193 ASP B 54 ASP.? 14.05 O2 EDO B 104 231 ASP B 60 ASP^? 5.67 C1 EDO B 105 294 ASP B 89 ASP^? 14.56 OXT ACT B 102 coo 27.89 102.52 14.98 29.35 101.92 13.57 11.31 -53.68 1.37 10.81 -55.59 0.54 coo 14.74 93.05 -1.00 14.30 94.22 0.73 24.76 -37.09 5.99 24.21 -37.69 4.07 coo 33.16 106.80 7.72 33.34 104.87 6.92 18.24 -59.30 3.92 20.30 -59.15 3.66 ULMN 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 8 3 # 8 193 ASP B 54 ASP.? 14.05 O2 EDO B 104 231 ASP B 75 ASP~? 7.34 C2 EDO A 105 294 ASP B 89 ASP^? 14.56 OXT ACT B 102 coo 27.89 102.52 14.98 29.35 101.92 13.57 11.31 -53.68 1.37 10.81 -55.59 0.54 coo 14.74 93.05 -1.00 14.30 94.22 0.73 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 33.16 106.80 7.72 33.34 104.87 6.92 18.24 -59.30 3.92 20.30 -59.15 3.66 ULMN 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 9 3 # 9 193 ASP B 72 ASP~? -3.91 O2 EDO A 104s 231 ASP A 75 ASP~? -3.37 CL CL A 101s 294 ASP B 65 ASP~? 10.18 C1 EDO A 104 coo 27.89 102.52 14.98 29.35 101.92 13.57 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 14.74 93.05 -1.00 14.30 94.22 0.73 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 33.16 106.80 7.72 33.34 104.87 6.92 33.69 -38.88 16.48 35.60 -39.38 17.27 ULMN 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 10 3 # 10 193 ASP B 72 ASP~? -3.91 O2 EDO A 104s 231 ASP B 89 ASP^? 14.56 OXT ACT B 102 294 ASP B 75 ASP~? 7.34 C2 EDO A 105 coo 27.89 102.52 14.98 29.35 101.92 13.57 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 14.74 93.05 -1.00 14.30 94.22 0.73 18.24 -59.30 3.92 20.30 -59.15 3.66 coo 33.16 106.80 7.72 33.34 104.87 6.92 16.30 -41.75 19.83 15.36 -40.72 21.44 ULMN 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 11 3 # 11 193 ASP B 75 ASP~? 7.34 C2 EDO A 105 231 ASP B 54 ASP.? 14.05 O2 EDO B 104 294 ASP B 72 ASP~? -3.91 O2 EDO A 104s coo 27.89 102.52 14.98 29.35 101.92 13.57 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 14.74 93.05 -1.00 14.30 94.22 0.73 11.31 -53.68 1.37 10.81 -55.59 0.54 coo 33.16 106.80 7.72 33.34 104.87 6.92 26.38 -44.91 20.83 26.53 -45.26 22.94 ULMN 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 12 3 # 12 193 ASP B 75 ASP~? 7.34 C2 EDO A 105 231 ASP B 89 ASP^? 14.56 OXT ACT B 102 294 ASP B 72 ASP~? -3.91 O2 EDO A 104s coo 27.89 102.52 14.98 29.35 101.92 13.57 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 14.74 93.05 -1.00 14.30 94.22 0.73 18.24 -59.30 3.92 20.30 -59.15 3.66 coo 33.16 106.80 7.72 33.34 104.87 6.92 26.38 -44.91 20.83 26.53 -45.26 22.94 ULMN 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 13 3 # 13 193 ASP B 89 ASP^? 14.56 OXT ACT B 102 231 ASP B 72 ASP~? -3.91 O2 EDO A 104s 294 ASP B 54 ASP.? 14.05 O2 EDO B 104 coo 27.89 102.52 14.98 29.35 101.92 13.57 18.24 -59.30 3.92 20.30 -59.15 3.66 coo 14.74 93.05 -1.00 14.30 94.22 0.73 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 33.16 106.80 7.72 33.34 104.87 6.92 11.31 -53.68 1.37 10.81 -55.59 0.54 2amg_c06 source 2amg 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLASE : 13 hits 2amg_c06 naa= 3 ULMN 3 2c7v_c08 PTERIDINE REDUCTASE user 1 3 # 1 A 14 ARG A 90 ARG^? 3.92 O2 NBZ A 112s A 161 ASP A 72 ASP~? 9.41 O1 EDO A 102 A 174 TYR A 70 TYR~? 4.47 O2 EDO A 103s coo 14.43 -13.26 8.40 11.75 -14.25 9.60 26.51 -17.50 33.30 27.88 -18.98 30.96 coo 3.82 -4.94 15.61 3.37 -6.97 16.02 19.04 -26.10 21.93 20.11 -24.78 20.72 coo 8.61 -7.11 20.41 7.51 -6.92 17.85 23.80 -29.17 27.91 24.12 -28.60 30.60 ULMN 3 2c7v_c08 PTERIDINE REDUCTASE user 2 3 # 2 A 14 ARG A 90 ARG^? 3.92 O2 NBZ A 112s A 161 ASP A 75 ASP~? -3.37 CL CL A 101s A 174 TYR A 70 TYR~? 4.47 O2 EDO A 103s coo 14.43 -13.26 8.40 11.75 -14.25 9.60 26.51 -17.50 33.30 27.88 -18.98 30.96 coo 3.82 -4.94 15.61 3.37 -6.97 16.02 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 8.61 -7.11 20.41 7.51 -6.92 17.85 23.80 -29.17 27.91 24.12 -28.60 30.60 ULMN 3 2c7v_c08 PTERIDINE REDUCTASE user 3 3 # 3 A 14 ARG B 4 ARG^? 5.32 O2 EDO B 105 A 161 ASP B 45 ASP.? 12.26 O2 EDO B 104 A 174 TYR B 53 TYR.? 14.89 OXT ACT B 102 coo 14.43 -13.26 8.40 11.75 -14.25 9.60 25.02 -40.81 1.35 23.83 -38.19 0.28 coo 3.82 -4.94 15.61 3.37 -6.97 16.02 11.53 -50.18 -2.63 12.16 -50.45 -4.66 coo 8.61 -7.11 20.41 7.51 -6.92 17.85 17.12 -55.21 -0.25 18.76 -57.47 0.21 2c7v_c08 source 2c7v PTERIDINE REDUCTASE : 3 hits 2c7v_c08 naa= 3 ULMN 3 2c7v_c09 PTERIDINE REDUCTASE user 1 3 # 1 B 14 ARG A 90 ARG^? 3.92 O2 NBZ A 112s B 161 ASP A 72 ASP~? 9.41 O1 EDO A 102 B 174 TYR A 70 TYR~? 4.47 O2 EDO A 103s coo -18.34 17.48 -4.91 -16.98 18.69 -2.39 26.51 -17.50 33.30 27.88 -18.98 30.96 coo -14.86 10.19 8.14 -14.82 12.31 8.42 19.04 -26.10 21.93 20.11 -24.78 20.72 coo -21.46 12.70 8.53 -19.04 12.30 7.24 23.80 -29.17 27.91 24.12 -28.60 30.60 ULMN 3 2c7v_c09 PTERIDINE REDUCTASE user 2 3 # 2 B 14 ARG A 90 ARG^? 3.92 O2 NBZ A 112s B 161 ASP A 75 ASP~? -3.37 CL CL A 101s B 174 TYR A 70 TYR~? 4.47 O2 EDO A 103s coo -18.34 17.48 -4.91 -16.98 18.69 -2.39 26.51 -17.50 33.30 27.88 -18.98 30.96 coo -14.86 10.19 8.14 -14.82 12.31 8.42 16.12 -29.42 31.11 14.94 -31.11 31.50 coo -21.46 12.70 8.53 -19.04 12.30 7.24 23.80 -29.17 27.91 24.12 -28.60 30.60 ULMN 3 2c7v_c09 PTERIDINE REDUCTASE user 3 3 # 3 B 14 ARG B 4 ARG^? 5.32 O2 EDO B 105 B 161 ASP B 45 ASP.? 12.26 O2 EDO B 104 B 174 TYR B 53 TYR.? 14.89 OXT ACT B 102 coo -18.34 17.48 -4.91 -16.98 18.69 -2.39 25.02 -40.81 1.35 23.83 -38.19 0.28 coo -14.86 10.19 8.14 -14.82 12.31 8.42 11.53 -50.18 -2.63 12.16 -50.45 -4.66 coo -21.46 12.70 8.53 -19.04 12.30 7.24 17.12 -55.21 -0.25 18.76 -57.47 0.21 2c7v_c09 source 2c7v PTERIDINE REDUCTASE : 3 hits 2c7v_c09 naa= 3 ULMN 3 2c7v_c10 PTERIDINE REDUCTASE user 1 3 # 1 C 14 ARG A 4 ARG^? 11.15 O1 EDO A 106 C 161 ASP A 45 ASP.? -3.72 C2 EDO A 111s C 174 TYR A 53 TYR.? -5.67 C2 EDO A 110s coo 2.84 19.43 40.34 1.59 20.35 37.65 35.29 -30.48 33.81 35.42 -33.13 35.27 coo -0.62 11.10 28.05 -0.65 13.15 27.46 31.14 -21.11 47.49 33.11 -20.89 48.17 coo 5.94 13.28 27.17 3.53 13.05 28.58 32.28 -15.98 41.58 32.53 -13.67 40.07 ULMN 3 2c7v_c10 PTERIDINE REDUCTASE user 2 3 # 2 C 14 ARG A 90 ARG^? 3.92 O2 NBZ A 112s C 161 ASP A 72 ASP~? 9.41 O1 EDO A 102 C 174 TYR A 70 TYR~? 4.47 O2 EDO A 103s coo 2.84 19.43 40.34 1.59 20.35 37.65 26.51 -17.50 33.30 27.88 -18.98 30.96 coo -0.62 11.10 28.05 -0.65 13.15 27.46 19.04 -26.10 21.93 20.11 -24.78 20.72 coo 5.94 13.28 27.17 3.53 13.05 28.58 23.80 -29.17 27.91 24.12 -28.60 30.60 ULMN 3 2c7v_c10 PTERIDINE REDUCTASE user 3 3 # 3 C 14 ARG A 90 ARG^? 3.92 O2 NBZ A 112s C 161 ASP A 75 ASP~? -3.37 CL CL A 101s C 174 TYR A 70 TYR~? 4.47 O2 EDO A 103s coo 2.84 19.43 40.34 1.59 20.35 37.65 26.51 -17.50 33.30 27.88 -18.98 30.96 coo -0.62 11.10 28.05 -0.65 13.15 27.46 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 5.94 13.28 27.17 3.53 13.05 28.58 23.80 -29.17 27.91 24.12 -28.60 30.60 ULMN 3 2c7v_c10 PTERIDINE REDUCTASE user 4 3 # 4 C 14 ARG B 4 ARG^? 5.32 O2 EDO B 105 C 161 ASP B 45 ASP.? 12.26 O2 EDO B 104 C 174 TYR B 53 TYR.? 14.89 OXT ACT B 102 coo 2.84 19.43 40.34 1.59 20.35 37.65 25.02 -40.81 1.35 23.83 -38.19 0.28 coo -0.62 11.10 28.05 -0.65 13.15 27.46 11.53 -50.18 -2.63 12.16 -50.45 -4.66 coo 5.94 13.28 27.17 3.53 13.05 28.58 17.12 -55.21 -0.25 18.76 -57.47 0.21 ULMN 3 2c7v_c10 PTERIDINE REDUCTASE user 5 3 # 5 C 14 ARG B 68 ARG~? 13.19 C1 EDO A 104 C 161 ASP B 60 ASP^? 5.67 C1 EDO B 105 C 174 TYR B 40 TYR^? 4.63 O ACT B 102s coo 2.84 19.43 40.34 1.59 20.35 37.65 31.65 -46.03 15.78 32.85 -48.29 14.05 coo -0.62 11.10 28.05 -0.65 13.15 27.46 24.76 -37.09 5.99 24.21 -37.69 4.07 coo 5.94 13.28 27.17 3.53 13.05 28.58 17.73 -39.49 9.16 17.04 -42.03 10.10 2c7v_c10 source 2c7v PTERIDINE REDUCTASE : 5 hits 2c7v_c10 naa= 3 ULMN 3 2c7v_c11 PTERIDINE REDUCTASE user 1 3 # 1 D 14 ARG A 90 ARG^? 3.92 O2 NBZ A 112s D 161 ASP A 72 ASP~? 9.41 O1 EDO A 102 D 174 TYR A 70 TYR~? 4.47 O2 EDO A 103s coo -30.56 -11.62 29.88 -27.98 -12.86 28.66 26.51 -17.50 33.30 27.88 -18.98 30.96 coo -19.83 -4.38 21.99 -19.35 -6.45 21.76 19.04 -26.10 21.93 20.11 -24.78 20.72 coo -24.51 -6.92 17.31 -23.48 -6.50 19.84 23.80 -29.17 27.91 24.12 -28.60 30.60 ULMN 3 2c7v_c11 PTERIDINE REDUCTASE user 2 3 # 2 D 14 ARG A 90 ARG^? 3.92 O2 NBZ A 112s D 161 ASP A 75 ASP~? -3.37 CL CL A 101s D 174 TYR A 70 TYR~? 4.47 O2 EDO A 103s coo -30.56 -11.62 29.88 -27.98 -12.86 28.66 26.51 -17.50 33.30 27.88 -18.98 30.96 coo -19.83 -4.38 21.99 -19.35 -6.45 21.76 16.12 -29.42 31.11 14.94 -31.11 31.50 coo -24.51 -6.92 17.31 -23.48 -6.50 19.84 23.80 -29.17 27.91 24.12 -28.60 30.60 ULMN 3 2c7v_c11 PTERIDINE REDUCTASE user 3 3 # 3 D 14 ARG B 4 ARG^? 5.32 O2 EDO B 105 D 161 ASP B 45 ASP.? 12.26 O2 EDO B 104 D 174 TYR B 53 TYR.? 14.89 OXT ACT B 102 coo -30.56 -11.62 29.88 -27.98 -12.86 28.66 25.02 -40.81 1.35 23.83 -38.19 0.28 coo -19.83 -4.38 21.99 -19.35 -6.45 21.76 11.53 -50.18 -2.63 12.16 -50.45 -4.66 coo -24.51 -6.92 17.31 -23.48 -6.50 19.84 17.12 -55.21 -0.25 18.76 -57.47 0.21 2c7v_c11 source 2c7v PTERIDINE REDUCTASE : 3 hits 2c7v_c11 naa= 3 ULMN 3 2hsa_c00 12-OXOPHYTODIENOATE REDUCTASE 3 user 1 3 # 1 B 185 HIS A 73 HIS~? -4.02 O2 EDO A 105s B 188 HIS A 76 HIS~? 3.91 O2 EDO A 102s B 190 TYR A 70 TYR~? 4.47 O2 EDO A 103s coo -2.40 8.56 71.48 -2.16 8.28 69.42 17.06 -30.49 26.75 15.82 -32.02 27.49 coo -0.71 6.39 65.98 -1.92 4.69 66.21 20.68 -25.44 29.29 22.44 -24.37 29.64 coo 0.03 12.24 67.96 -1.63 12.38 65.68 23.80 -29.17 27.91 24.12 -28.60 30.60 ULMN 3 2hsa_c00 12-OXOPHYTODIENOATE REDUCTASE 3 user 2 3 # 2 B 185 HIS A 76 HIS~? 3.91 O2 EDO A 102s B 188 HIS A 73 HIS~? -4.02 O2 EDO A 105s B 190 TYR A 70 TYR~? 4.47 O2 EDO A 103s coo -2.40 8.56 71.48 -2.16 8.28 69.42 20.68 -25.44 29.29 22.44 -24.37 29.64 coo -0.71 6.39 65.98 -1.92 4.69 66.21 17.06 -30.49 26.75 15.82 -32.02 27.49 coo 0.03 12.24 67.96 -1.63 12.38 65.68 23.80 -29.17 27.91 24.12 -28.60 30.60 ULMN 3 2hsa_c00 12-OXOPHYTODIENOATE REDUCTASE 3 user 3 3 # 3 B 185 HIS B 73 HIS~? 5.11 C2 EDO A 104 B 188 HIS B 76 HIS~? -3.94 OXT ACT B 102s B 190 TYR B 70 TYR~? -4.61 O ACT B 102s coo -2.40 8.56 71.48 -2.16 8.28 69.42 21.13 -40.83 20.13 19.87 -39.36 20.93 coo -0.71 6.39 65.98 -1.92 4.69 66.21 20.42 -45.46 15.69 21.14 -46.68 14.13 coo 0.03 12.24 67.96 -1.63 12.38 65.68 23.57 -42.42 13.63 21.81 -43.83 12.00 ULMN 3 2hsa_c00 12-OXOPHYTODIENOATE REDUCTASE 3 user 4 3 # 4 B 185 HIS B 76 HIS~? -3.94 OXT ACT B 102s B 188 HIS B 73 HIS~? 5.11 C2 EDO A 104 B 190 TYR B 70 TYR~? -4.61 O ACT B 102s coo -2.40 8.56 71.48 -2.16 8.28 69.42 20.42 -45.46 15.69 21.14 -46.68 14.13 coo -0.71 6.39 65.98 -1.92 4.69 66.21 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 0.03 12.24 67.96 -1.63 12.38 65.68 23.57 -42.42 13.63 21.81 -43.83 12.00 2hsa_c00 source 2hsa 12-OXOPHYTODIENOATE REDUCTASE 3 : 4 hits 2hsa_c00 naa= 3 ULMN 3 2hsa_c01 12-OXOPHYTODIENOATE REDUCTASE 3 user 1 3 # 1 A 185 HIS A 73 HIS~? -4.02 O2 EDO A 105s A 188 HIS A 76 HIS~? 3.91 O2 EDO A 102s A 190 TYR A 70 TYR~? 4.47 O2 EDO A 103s coo 17.28 -0.40 35.65 16.37 -0.39 37.54 17.06 -30.49 26.75 15.82 -32.02 27.49 coo 14.39 1.55 40.83 12.71 2.07 39.67 20.68 -25.44 29.29 22.44 -24.37 29.64 coo 19.52 -1.97 40.54 17.56 -3.47 41.92 23.80 -29.17 27.91 24.12 -28.60 30.60 ULMN 3 2hsa_c01 12-OXOPHYTODIENOATE REDUCTASE 3 user 2 3 # 2 A 185 HIS A 76 HIS~? 3.91 O2 EDO A 102s A 188 HIS A 73 HIS~? -4.02 O2 EDO A 105s A 190 TYR A 70 TYR~? 4.47 O2 EDO A 103s coo 17.28 -0.40 35.65 16.37 -0.39 37.54 20.68 -25.44 29.29 22.44 -24.37 29.64 coo 14.39 1.55 40.83 12.71 2.07 39.67 17.06 -30.49 26.75 15.82 -32.02 27.49 coo 19.52 -1.97 40.54 17.56 -3.47 41.92 23.80 -29.17 27.91 24.12 -28.60 30.60 ULMN 3 2hsa_c01 12-OXOPHYTODIENOATE REDUCTASE 3 user 3 3 # 3 A 185 HIS B 73 HIS~? 5.11 C2 EDO A 104 A 188 HIS B 76 HIS~? -3.94 OXT ACT B 102s A 190 TYR B 70 TYR~? -4.61 O ACT B 102s coo 17.28 -0.40 35.65 16.37 -0.39 37.54 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 14.39 1.55 40.83 12.71 2.07 39.67 20.42 -45.46 15.69 21.14 -46.68 14.13 coo 19.52 -1.97 40.54 17.56 -3.47 41.92 23.57 -42.42 13.63 21.81 -43.83 12.00 ULMN 3 2hsa_c01 12-OXOPHYTODIENOATE REDUCTASE 3 user 4 3 # 4 A 185 HIS B 76 HIS~? -3.94 OXT ACT B 102s A 188 HIS B 73 HIS~? 5.11 C2 EDO A 104 A 190 TYR B 70 TYR~? -4.61 O ACT B 102s coo 17.28 -0.40 35.65 16.37 -0.39 37.54 20.42 -45.46 15.69 21.14 -46.68 14.13 coo 14.39 1.55 40.83 12.71 2.07 39.67 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 19.52 -1.97 40.54 17.56 -3.47 41.92 23.57 -42.42 13.63 21.81 -43.83 12.00 2hsa_c01 source 2hsa 12-OXOPHYTODIENOATE REDUCTASE 3 : 4 hits 2hsa_c01 naa= 3 ULMN 3 2lpr_c02 ALPHA-LYTIC PROTEASE user 1 3 # 1 A 57 HIS A 73 HIS~? -4.02 O2 EDO A 105s A 102 ASP A 75 ASP~? -3.37 CL CL A 101s A 193 GLY A 66 GLY~? 7.08 O1 EDO A 104 coo 14.96 29.22 19.55 15.62 29.93 17.67 17.06 -30.49 26.75 15.82 -32.02 27.49 coo 19.64 30.69 22.61 18.18 29.94 21.25 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 14.54 28.99 9.76 15.06 29.59 10.02 26.20 -32.54 22.39 26.37 -31.76 22.09 ULMN 3 2lpr_c02 ALPHA-LYTIC PROTEASE user 2 3 # 2 A 57 HIS A 76 HIS~? 3.91 O2 EDO A 102s A 102 ASP A 75 ASP~? -3.37 CL CL A 101s A 193 GLY A 66 GLY~? 7.08 O1 EDO A 104 coo 14.96 29.22 19.55 15.62 29.93 17.67 20.68 -25.44 29.29 22.44 -24.37 29.64 coo 19.64 30.69 22.61 18.18 29.94 21.25 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 14.54 28.99 9.76 15.06 29.59 10.02 26.20 -32.54 22.39 26.37 -31.76 22.09 ULMN 3 2lpr_c02 ALPHA-LYTIC PROTEASE user 3 3 # 3 A 57 HIS B 73 HIS~? 5.11 C2 EDO A 104 A 102 ASP B 72 ASP~? -3.91 O2 EDO A 104s A 193 GLY A 66 GLY~? 7.08 O1 EDO A 104 coo 14.96 29.22 19.55 15.62 29.93 17.67 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 19.64 30.69 22.61 18.18 29.94 21.25 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 14.54 28.99 9.76 15.06 29.59 10.02 26.20 -32.54 22.39 26.37 -31.76 22.09 ULMN 3 2lpr_c02 ALPHA-LYTIC PROTEASE user 4 3 # 4 A 57 HIS B 73 HIS~? 5.11 C2 EDO A 104 A 102 ASP B 75 ASP~? 7.34 C2 EDO A 105 A 193 GLY A 66 GLY~? 7.08 O1 EDO A 104 coo 14.96 29.22 19.55 15.62 29.93 17.67 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 19.64 30.69 22.61 18.18 29.94 21.25 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 14.54 28.99 9.76 15.06 29.59 10.02 26.20 -32.54 22.39 26.37 -31.76 22.09 ULMN 3 2lpr_c02 ALPHA-LYTIC PROTEASE user 5 3 # 5 A 57 HIS B 73 HIS~? 5.11 C2 EDO A 104 A 102 ASP B 75 ASP~? 7.34 C2 EDO A 105 A 193 GLY B 66 GLY~? 8.19 C1 EDO A 104 coo 14.96 29.22 19.55 15.62 29.93 17.67 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 19.64 30.69 22.61 18.18 29.94 21.25 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 14.54 28.99 9.76 15.06 29.59 10.02 29.58 -38.78 14.56 29.91 -39.54 14.52 ULMN 3 2lpr_c02 ALPHA-LYTIC PROTEASE user 6 3 # 6 A 57 HIS B 76 HIS~? -3.94 OXT ACT B 102s A 102 ASP B 75 ASP~? 7.34 C2 EDO A 105 A 193 GLY B 66 GLY~? 8.19 C1 EDO A 104 coo 14.96 29.22 19.55 15.62 29.93 17.67 20.42 -45.46 15.69 21.14 -46.68 14.13 coo 19.64 30.69 22.61 18.18 29.94 21.25 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 14.54 28.99 9.76 15.06 29.59 10.02 29.58 -38.78 14.56 29.91 -39.54 14.52 2lpr_c02 source 2lpr ALPHA-LYTIC PROTEASE : 6 hits 2lpr_c02 naa= 3 ULMN 3 2oat_c03 ORNITHINE AMINOTRANSFERASE user 1 3 # 1 A 177 PHE A 67 PHE~? -4.76 C1 EDO A 102s A 263 ASP A 65 ASP~? 10.10 C1 EDO A 104 A 292 LYS A 38 LYS^? -2.86 O1 EDO A 104s coo 51.51 50.32 16.39 52.13 49.68 13.75 28.51 -27.10 24.33 28.72 -24.72 25.76 coo 54.43 44.82 23.74 55.21 45.06 21.80 26.58 -32.44 17.88 27.18 -32.00 15.88 coo 63.95 45.30 16.71 59.11 49.15 16.05 27.72 -37.88 30.49 27.16 -40.68 26.03 ULMN 3 2oat_c03 ORNITHINE AMINOTRANSFERASE user 2 3 # 2 A 177 PHE B 67 PHE~? 9.52 OXT ACT B 102 A 263 ASP B 65 ASP~? 10.18 C1 EDO A 104 A 292 LYS B 38 LYS.? 11.73 C1 EDO B 105 coo 51.51 50.32 16.39 52.13 49.68 13.75 29.04 -44.24 11.72 28.04 -46.76 11.25 coo 54.43 44.82 23.74 55.21 45.06 21.80 33.69 -38.88 16.48 35.60 -39.38 17.27 coo 63.95 45.30 16.71 59.11 49.15 16.05 23.51 -33.84 9.67 26.45 -31.79 13.35 2oat_c03 source 2oat ORNITHINE AMINOTRANSFERASE : 2 hits 2oat_c03 naa= 3 ULMN 3 2oat_c04 ORNITHINE AMINOTRANSFERASE user 1 3 # 1 B 177 PHE B 67 PHE~? 9.52 OXT ACT B 102 B 263 ASP B 65 ASP~? 10.18 C1 EDO A 104 B 292 LYS B 38 LYS.? 11.73 C1 EDO B 105 coo 49.99 26.05 6.28 51.46 26.87 8.49 29.04 -44.24 11.72 28.04 -46.76 11.25 coo 49.07 31.32 -1.50 50.64 31.29 -0.07 33.69 -38.88 16.48 35.60 -39.38 17.27 coo 60.53 31.67 0.97 57.79 27.51 3.63 23.51 -33.84 9.67 26.45 -31.79 13.35 2oat_c04 source 2oat ORNITHINE AMINOTRANSFERASE : 1 hits 2oat_c04 naa= 3 ULMN 3 2oat_c05 ORNITHINE AMINOTRANSFERASE user 1 3 # 1 C 177 PHE A 67 PHE~? -4.76 C1 EDO A 102s C 263 ASP A 65 ASP~? 10.10 C1 EDO A 104 C 292 LYS A 38 LYS^? -2.86 O1 EDO A 104s coo 21.96 11.84 -0.03 20.04 11.74 -2.01 28.51 -27.10 24.33 28.72 -24.72 25.76 coo 19.84 12.02 9.33 18.68 11.23 7.75 26.58 -32.44 17.88 27.18 -32.00 15.88 coo 12.82 3.49 4.98 17.80 5.59 1.90 27.72 -37.88 30.49 27.16 -40.68 26.03 ULMN 3 2oat_c05 ORNITHINE AMINOTRANSFERASE user 2 3 # 2 C 177 PHE B 67 PHE~? 9.52 OXT ACT B 102 C 263 ASP B 65 ASP~? 10.18 C1 EDO A 104 C 292 LYS B 38 LYS.? 11.73 C1 EDO B 105 coo 21.96 11.84 -0.03 20.04 11.74 -2.01 29.04 -44.24 11.72 28.04 -46.76 11.25 coo 19.84 12.02 9.33 18.68 11.23 7.75 33.69 -38.88 16.48 35.60 -39.38 17.27 coo 12.82 3.49 4.98 17.80 5.59 1.90 23.51 -33.84 9.67 26.45 -31.79 13.35 2oat_c05 source 2oat ORNITHINE AMINOTRANSFERASE : 2 hits 2oat_c05 naa= 3 ULMN 3 2phk_c03 MC-PEPTIDE user 1 3 # 1 A 149 ASP A 60 ASP^? 9.96 C2 EDO A 103 A 151 LYS A 38 LYS^? -2.86 O1 EDO A 104s A 154 ASN A -5 ASN.? -7.74 O1 EDO A 104s coo 41.42 17.90 44.98 43.39 18.36 45.61 31.34 -34.21 31.28 32.49 -33.56 32.90 coo 45.75 16.58 39.61 47.43 18.26 45.54 27.72 -37.88 30.49 27.16 -40.68 26.03 coo 44.77 13.10 43.25 45.01 14.21 45.03 29.90 -41.58 32.00 29.84 -42.46 30.04 ULMN 3 2phk_c03 MC-PEPTIDE user 2 3 # 2 A 149 ASP B 60 ASP^? 5.67 C1 EDO B 105 A 151 LYS B 38 LYS.? 11.73 C1 EDO B 105 A 154 ASN B -5 ASN.? -7.35 O1 EDO B 105s coo 41.42 17.90 44.98 43.39 18.36 45.61 24.76 -37.09 5.99 24.21 -37.69 4.07 coo 45.75 16.58 39.61 47.43 18.26 45.54 23.51 -33.84 9.67 26.45 -31.79 13.35 coo 44.77 13.10 43.25 45.01 14.21 45.03 23.22 -30.19 6.38 21.29 -29.48 6.94 2phk_c03 source 2phk MC-PEPTIDE : 2 hits 2phk_c03 naa= 3 ULMN 3 2rnf_c02 RIBONUCLEASE 4 user 1 3 # 1 A 12 HIS A 5 HIS^? 3.66 C2 EDO A 102s A 40 LYS A 38 LYS^? -2.86 O1 EDO A 104s A 116 HIS A 76 HIS~? 3.91 O2 EDO A 102s coo 12.34 -0.45 10.80 13.53 1.19 11.34 29.39 -25.70 30.68 28.57 -23.87 31.25 coo 18.50 3.53 20.10 16.17 2.61 14.41 27.72 -37.88 30.49 27.16 -40.68 26.03 coo 14.70 6.01 5.61 14.27 7.69 6.78 20.68 -25.44 29.29 22.44 -24.37 29.64 ULMN 3 2rnf_c02 RIBONUCLEASE 4 user 2 3 # 2 A 12 HIS A 73 HIS~? -4.02 O2 EDO A 105s A 40 LYS A 38 LYS^? -2.86 O1 EDO A 104s A 116 HIS A 76 HIS~? 3.91 O2 EDO A 102s coo 12.34 -0.45 10.80 13.53 1.19 11.34 17.06 -30.49 26.75 15.82 -32.02 27.49 coo 18.50 3.53 20.10 16.17 2.61 14.41 27.72 -37.88 30.49 27.16 -40.68 26.03 coo 14.70 6.01 5.61 14.27 7.69 6.78 20.68 -25.44 29.29 22.44 -24.37 29.64 ULMN 3 2rnf_c02 RIBONUCLEASE 4 user 3 3 # 3 A 12 HIS A 76 HIS~? 3.91 O2 EDO A 102s A 40 LYS A 29 LYS~? 12.54 CL CL A 101 A 116 HIS A 5 HIS^? 3.66 C2 EDO A 102s coo 12.34 -0.45 10.80 13.53 1.19 11.34 20.68 -25.44 29.29 22.44 -24.37 29.64 coo 18.50 3.53 20.10 16.17 2.61 14.41 15.40 -32.05 38.28 11.66 -33.59 43.11 coo 14.70 6.01 5.61 14.27 7.69 6.78 29.39 -25.70 30.68 28.57 -23.87 31.25 ULMN 3 2rnf_c02 RIBONUCLEASE 4 user 4 3 # 4 A 12 HIS B 5 HIS^? 5.90 OXT ACT B 102 A 40 LYS B 38 LYS.? 11.73 C1 EDO B 105 A 116 HIS B 76 HIS~? -3.94 OXT ACT B 102s coo 12.34 -0.45 10.80 13.53 1.19 11.34 24.56 -45.54 8.01 23.59 -47.34 8.47 coo 18.50 3.53 20.10 16.17 2.61 14.41 23.51 -33.84 9.67 26.45 -31.79 13.35 coo 14.70 6.01 5.61 14.27 7.69 6.78 20.42 -45.46 15.69 21.14 -46.68 14.13 ULMN 3 2rnf_c02 RIBONUCLEASE 4 user 5 3 # 5 A 12 HIS B 76 HIS~? -3.94 OXT ACT B 102s A 40 LYS B 29 LYS~? 12.18 O1 EDO B 104 A 116 HIS B 5 HIS^? 5.90 OXT ACT B 102 coo 12.34 -0.45 10.80 13.53 1.19 11.34 20.42 -45.46 15.69 21.14 -46.68 14.13 coo 18.50 3.53 20.10 16.17 2.61 14.41 11.33 -38.31 14.91 6.22 -40.97 17.66 coo 14.70 6.01 5.61 14.27 7.69 6.78 24.56 -45.54 8.01 23.59 -47.34 8.47 2rnf_c02 source 2rnf RIBONUCLEASE 4 : 5 hits 2rnf_c02 naa= 3 ULMN 3 2rnf_c03 RIBONUCLEASE 4 user 1 3 # 1 B 12 HIS A 5 HIS^? 3.66 C2 EDO A 102s B 40 LYS A 38 LYS^? -2.86 O1 EDO A 104s B 116 HIS A 76 HIS~? 3.91 O2 EDO A 102s coo -6.35 21.42 14.69 -6.06 23.46 15.04 29.39 -25.70 30.68 28.57 -23.87 31.25 coo -10.61 31.45 9.72 -8.75 26.69 13.45 27.72 -37.88 30.49 27.16 -40.68 26.03 coo -0.95 25.22 19.68 -0.68 26.73 18.24 20.68 -25.44 29.29 22.44 -24.37 29.64 ULMN 3 2rnf_c03 RIBONUCLEASE 4 user 2 3 # 2 B 12 HIS A 73 HIS~? -4.02 O2 EDO A 105s B 40 LYS A 38 LYS^? -2.86 O1 EDO A 104s B 116 HIS A 76 HIS~? 3.91 O2 EDO A 102s coo -6.35 21.42 14.69 -6.06 23.46 15.04 17.06 -30.49 26.75 15.82 -32.02 27.49 coo -10.61 31.45 9.72 -8.75 26.69 13.45 27.72 -37.88 30.49 27.16 -40.68 26.03 coo -0.95 25.22 19.68 -0.68 26.73 18.24 20.68 -25.44 29.29 22.44 -24.37 29.64 ULMN 3 2rnf_c03 RIBONUCLEASE 4 user 3 3 # 3 B 12 HIS A 76 HIS~? 3.91 O2 EDO A 102s B 40 LYS A 29 LYS~? 12.54 CL CL A 101 B 116 HIS A 5 HIS^? 3.66 C2 EDO A 102s coo -6.35 21.42 14.69 -6.06 23.46 15.04 20.68 -25.44 29.29 22.44 -24.37 29.64 coo -10.61 31.45 9.72 -8.75 26.69 13.45 15.40 -32.05 38.28 11.66 -33.59 43.11 coo -0.95 25.22 19.68 -0.68 26.73 18.24 29.39 -25.70 30.68 28.57 -23.87 31.25 ULMN 3 2rnf_c03 RIBONUCLEASE 4 user 4 3 # 4 B 12 HIS B 5 HIS^? 5.90 OXT ACT B 102 B 40 LYS B 38 LYS.? 11.73 C1 EDO B 105 B 116 HIS B 76 HIS~? -3.94 OXT ACT B 102s coo -6.35 21.42 14.69 -6.06 23.46 15.04 24.56 -45.54 8.01 23.59 -47.34 8.47 coo -10.61 31.45 9.72 -8.75 26.69 13.45 23.51 -33.84 9.67 26.45 -31.79 13.35 coo -0.95 25.22 19.68 -0.68 26.73 18.24 20.42 -45.46 15.69 21.14 -46.68 14.13 ULMN 3 2rnf_c03 RIBONUCLEASE 4 user 5 3 # 5 B 12 HIS B 73 HIS~? 5.11 C2 EDO A 104 B 40 LYS B 38 LYS.? 11.73 C1 EDO B 105 B 116 HIS B 76 HIS~? -3.94 OXT ACT B 102s coo -6.35 21.42 14.69 -6.06 23.46 15.04 21.13 -40.83 20.13 19.87 -39.36 20.93 coo -10.61 31.45 9.72 -8.75 26.69 13.45 23.51 -33.84 9.67 26.45 -31.79 13.35 coo -0.95 25.22 19.68 -0.68 26.73 18.24 20.42 -45.46 15.69 21.14 -46.68 14.13 ULMN 3 2rnf_c03 RIBONUCLEASE 4 user 6 3 # 6 B 12 HIS B 76 HIS~? -3.94 OXT ACT B 102s B 40 LYS B 29 LYS~? 12.18 O1 EDO B 104 B 116 HIS B 5 HIS^? 5.90 OXT ACT B 102 coo -6.35 21.42 14.69 -6.06 23.46 15.04 20.42 -45.46 15.69 21.14 -46.68 14.13 coo -10.61 31.45 9.72 -8.75 26.69 13.45 11.33 -38.31 14.91 6.22 -40.97 17.66 coo -0.95 25.22 19.68 -0.68 26.73 18.24 24.56 -45.54 8.01 23.59 -47.34 8.47 2rnf_c03 source 2rnf RIBONUCLEASE 4 : 6 hits 2rnf_c03 naa= 3 ULMN 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 1 3 # 1 141 ASP A 72 ASP~? 9.41 O1 EDO A 102 166 GLY A 0 GLY.? 7.67 O1 EDO A 104 169 GLU B 64 GLU~? 15.64 C1 EDO A 104 coo 8.28 6.87 1.62 10.08 5.77 1.34 19.04 -26.10 21.93 20.11 -24.78 20.72 coo -8.58 13.22 3.21 -8.90 13.15 4.05 33.91 -37.82 20.22 33.82 -37.92 21.05 coo -16.67 7.89 2.78 -17.65 6.56 1.49 35.47 -42.81 11.09 36.89 -44.38 11.18 ULMN 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 2 3 # 2 141 ASP A 72 ASP~? 9.41 O1 EDO A 102 166 GLY B 66 GLY~? 8.19 C1 EDO A 104 169 GLU B 64 GLU~? 15.64 C1 EDO A 104 coo 8.28 6.87 1.62 10.08 5.77 1.34 19.04 -26.10 21.93 20.11 -24.78 20.72 coo -8.58 13.22 3.21 -8.90 13.15 4.05 29.58 -38.78 14.56 29.91 -39.54 14.52 coo -16.67 7.89 2.78 -17.65 6.56 1.49 35.47 -42.81 11.09 36.89 -44.38 11.18 2tdt_c00 source 2tdt TETRAHYDRODIPICOLINATE N-SUCCINYLTRANSFERASE : 2 hits 2tdt_c00 naa= 3 ULMN 3 2tpl_c04 TYROSINE PHENOL-LYASE user 1 3 # 1 A 122 TYR B 70 TYR~? -4.61 O ACT B 102s A 214 ASP A 65 ASP~? 10.10 C1 EDO A 104 A 256 LYS A 38 LYS^? -2.86 O1 EDO A 104s coo -36.51 -15.34 5.35 -36.90 -16.76 7.69 23.57 -42.42 13.63 21.81 -43.83 12.00 coo -29.95 -11.32 -1.46 -28.83 -11.55 0.31 26.58 -32.44 17.88 27.18 -32.00 15.88 coo -18.13 -8.46 4.26 -20.75 -6.32 9.36 27.72 -37.88 30.49 27.16 -40.68 26.03 ULMN 3 2tpl_c04 TYROSINE PHENOL-LYASE user 2 3 # 2 A 122 TYR B 70 TYR~? -4.61 O ACT B 102s A 214 ASP B 65 ASP~? 10.18 C1 EDO A 104 A 256 LYS A 38 LYS^? -2.86 O1 EDO A 104s coo -36.51 -15.34 5.35 -36.90 -16.76 7.69 23.57 -42.42 13.63 21.81 -43.83 12.00 coo -29.95 -11.32 -1.46 -28.83 -11.55 0.31 33.69 -38.88 16.48 35.60 -39.38 17.27 coo -18.13 -8.46 4.26 -20.75 -6.32 9.36 27.72 -37.88 30.49 27.16 -40.68 26.03 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 B 70 TYR~? -4.61 O ACT B 102s B 214 ASP A 65 ASP~? 10.10 C1 EDO A 104 B 256 LYS A 38 LYS^? -2.86 O1 EDO A 104s coo -32.67 22.74 10.17 -32.85 23.98 7.70 23.57 -42.42 13.63 21.81 -43.83 12.00 coo -26.88 17.61 16.89 -26.08 17.11 15.00 26.58 -32.44 17.88 27.18 -32.00 15.88 coo -16.04 12.06 11.09 -17.97 10.54 5.71 27.72 -37.88 30.49 27.16 -40.68 26.03 ULMN 3 2tpl_c05 TYROSINE PHENOL-LYASE user 2 3 # 2 B 122 TYR B 70 TYR~? -4.61 O ACT B 102s B 214 ASP B 65 ASP~? 10.18 C1 EDO A 104 B 256 LYS A 38 LYS^? -2.86 O1 EDO A 104s coo -32.67 22.74 10.17 -32.85 23.98 7.70 23.57 -42.42 13.63 21.81 -43.83 12.00 coo -26.88 17.61 16.89 -26.08 17.11 15.00 33.69 -38.88 16.48 35.60 -39.38 17.27 coo -16.04 12.06 11.09 -17.97 10.54 5.71 27.72 -37.88 30.49 27.16 -40.68 26.03 2tpl_c05 source 2tpl TYROSINE PHENOL-LYASE : 2 hits 2tpl_c05 naa= 3 ULMN 3 3cla_c00 TYPE III CHLORAMPHENICOL ACETYLTRANSuser 1 3 # 1 18 ARG A 77 ARG~? 12.24 O2 EDO A 105 195 HIS A 73 HIS~? -4.02 O2 EDO A 105s 199 ASP A 72 ASP~? 9.41 O1 EDO A 102 coo 21.96 2.03 15.24 19.33 1.86 13.55 15.52 -22.75 25.33 12.48 -23.17 25.81 coo 13.48 -0.87 14.56 14.47 -2.14 15.92 17.06 -30.49 26.75 15.82 -32.02 27.49 coo 17.92 -0.05 18.55 18.90 -0.38 16.73 19.04 -26.10 21.93 20.11 -24.78 20.72 ULMN 3 3cla_c00 TYPE III CHLORAMPHENICOL ACETYLTRANSuser 2 3 # 2 18 ARG A 77 ARG~? 12.24 O2 EDO A 105 195 HIS A 76 HIS~? 3.91 O2 EDO A 102s 199 ASP A 72 ASP~? 9.41 O1 EDO A 102 coo 21.96 2.03 15.24 19.33 1.86 13.55 15.52 -22.75 25.33 12.48 -23.17 25.81 coo 13.48 -0.87 14.56 14.47 -2.14 15.92 20.68 -25.44 29.29 22.44 -24.37 29.64 coo 17.92 -0.05 18.55 18.90 -0.38 16.73 19.04 -26.10 21.93 20.11 -24.78 20.72 ULMN 3 3cla_c00 TYPE III CHLORAMPHENICOL ACETYLTRANSuser 3 3 # 3 18 ARG B 77 ARG~? 7.48 O2 EDO A 104 195 HIS B 73 HIS~? 5.11 C2 EDO A 104 199 ASP B 72 ASP~? -3.91 O2 EDO A 104s coo 21.96 2.03 15.24 19.33 1.86 13.55 21.83 -48.69 21.52 20.83 -47.48 24.21 coo 13.48 -0.87 14.56 14.47 -2.14 15.92 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 17.92 -0.05 18.55 18.90 -0.38 16.73 26.38 -44.91 20.83 26.53 -45.26 22.94 3cla_c00 source 3cla TYPE III CHLORAMPHENICOL ACETYLTRANSFERASE ( C: 3 hits 3cla_c00 naa= 3 ULMN 3 4mdh_c02 CYTOPLASMIC MALATE DEHYDROGENASE (E.user 1 3 # 1 A 158 ASP A 72 ASP~? 9.41 O1 EDO A 102 A 161 ARG A 77 ARG~? 12.24 O2 EDO A 105 A 186 HIS A 73 HIS~? -4.02 O2 EDO A 105s coo 18.62 26.83 58.17 18.48 28.64 57.08 19.04 -26.10 21.93 20.11 -24.78 20.72 coo 23.76 27.69 57.88 24.05 29.81 55.69 15.52 -22.75 25.33 12.48 -23.17 25.81 coo 16.67 31.22 54.64 18.74 31.15 54.14 17.06 -30.49 26.75 15.82 -32.02 27.49 ULMN 3 4mdh_c02 CYTOPLASMIC MALATE DEHYDROGENASE (E.user 2 3 # 2 A 158 ASP A 72 ASP~? 9.41 O1 EDO A 102 A 161 ARG A 77 ARG~? 12.24 O2 EDO A 105 A 186 HIS A 76 HIS~? 3.91 O2 EDO A 102s coo 18.62 26.83 58.17 18.48 28.64 57.08 19.04 -26.10 21.93 20.11 -24.78 20.72 coo 23.76 27.69 57.88 24.05 29.81 55.69 15.52 -22.75 25.33 12.48 -23.17 25.81 coo 16.67 31.22 54.64 18.74 31.15 54.14 20.68 -25.44 29.29 22.44 -24.37 29.64 ULMN 3 4mdh_c02 CYTOPLASMIC MALATE DEHYDROGENASE (E.user 3 3 # 3 A 158 ASP B 72 ASP~? -3.91 O2 EDO A 104s A 161 ARG B 77 ARG~? 7.48 O2 EDO A 104 A 186 HIS B 73 HIS~? 5.11 C2 EDO A 104 coo 18.62 26.83 58.17 18.48 28.64 57.08 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 23.76 27.69 57.88 24.05 29.81 55.69 21.83 -48.69 21.52 20.83 -47.48 24.21 coo 16.67 31.22 54.64 18.74 31.15 54.14 21.13 -40.83 20.13 19.87 -39.36 20.93 ULMN 3 4mdh_c02 CYTOPLASMIC MALATE DEHYDROGENASE (E.user 4 3 # 4 A 158 ASP B 72 ASP~? -3.91 O2 EDO A 104s A 161 ARG B 77 ARG~? 7.48 O2 EDO A 104 A 186 HIS B 76 HIS~? -3.94 OXT ACT B 102s coo 18.62 26.83 58.17 18.48 28.64 57.08 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 23.76 27.69 57.88 24.05 29.81 55.69 21.83 -48.69 21.52 20.83 -47.48 24.21 coo 16.67 31.22 54.64 18.74 31.15 54.14 20.42 -45.46 15.69 21.14 -46.68 14.13 4mdh_c02 source 4mdh CYTOPLASMIC MALATE DEHYDROGENASE (E.C.1.1.1.37: 4 hits 4mdh_c02 naa= 3 ULMN 3 4mdh_c03 CYTOPLASMIC MALATE DEHYDROGENASE (E.user 1 3 # 1 B 158 ASP A 72 ASP~? 9.41 O1 EDO A 102 B 161 ARG A 77 ARG~? 12.24 O2 EDO A 105 B 186 HIS A 73 HIS~? -4.02 O2 EDO A 105s coo 44.53 16.44 28.54 44.89 18.45 28.77 19.04 -26.10 21.93 20.11 -24.78 20.72 coo 39.64 19.27 28.15 40.19 21.74 29.94 15.52 -22.75 25.33 12.48 -23.17 25.81 coo 48.32 20.00 31.44 46.45 20.91 31.50 17.06 -30.49 26.75 15.82 -32.02 27.49 ULMN 3 4mdh_c03 CYTOPLASMIC MALATE DEHYDROGENASE (E.user 2 3 # 2 B 158 ASP B 72 ASP~? -3.91 O2 EDO A 104s B 161 ARG B 68 ARG~? 13.19 C1 EDO A 104 B 186 HIS B 76 HIS~? -3.94 OXT ACT B 102s coo 44.53 16.44 28.54 44.89 18.45 28.77 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 39.64 19.27 28.15 40.19 21.74 29.94 31.65 -46.03 15.78 32.85 -48.29 14.05 coo 48.32 20.00 31.44 46.45 20.91 31.50 20.42 -45.46 15.69 21.14 -46.68 14.13 ULMN 3 4mdh_c03 CYTOPLASMIC MALATE DEHYDROGENASE (E.user 3 3 # 3 B 158 ASP B 72 ASP~? -3.91 O2 EDO A 104s B 161 ARG B 77 ARG~? 7.48 O2 EDO A 104 B 186 HIS B 73 HIS~? 5.11 C2 EDO A 104 coo 44.53 16.44 28.54 44.89 18.45 28.77 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 39.64 19.27 28.15 40.19 21.74 29.94 21.83 -48.69 21.52 20.83 -47.48 24.21 coo 48.32 20.00 31.44 46.45 20.91 31.50 21.13 -40.83 20.13 19.87 -39.36 20.93 4mdh_c03 source 4mdh CYTOPLASMIC MALATE DEHYDROGENASE (E.C.1.1.1.37: 3 hits 4mdh_c03 naa= 3 ULMN 3 5cox_c04 CYCLOOXYGENASE-2 user 1 3 # 1 A 203 GLN A 94 GLN^? 4.68 C1 EDO A 102 A 207 HIS A 5 HIS^? 3.66 C2 EDO A 102s A 385 TYR A 70 TYR~? 4.47 O2 EDO A 103s coo 23.69 37.92 6.66 22.22 39.29 5.97 32.05 -24.90 27.25 31.50 -22.83 27.13 coo 27.49 36.78 4.86 25.87 35.83 3.93 29.39 -25.70 30.68 28.57 -23.87 31.25 coo 25.45 28.28 7.33 26.01 28.57 10.04 23.80 -29.17 27.91 24.12 -28.60 30.60 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 94 GLN^? 4.68 C1 EDO A 102 B 207 HIS A 5 HIS^? 3.66 C2 EDO A 102s B 385 TYR A 70 TYR~? 4.47 O2 EDO A 103s coo 71.73 24.29 -6.07 73.27 24.95 -7.36 32.05 -24.90 27.25 31.50 -22.83 27.13 coo 67.92 26.15 -5.01 69.53 27.05 -4.02 29.39 -25.70 30.68 28.57 -23.87 31.25 coo 69.83 23.77 3.61 69.22 21.05 3.32 23.80 -29.17 27.91 24.12 -28.60 30.60 5cox_c05 source 5cox CYCLOOXYGENASE-2 : 1 hits 5cox_c05 naa= 3 ULMN 3 5cox_c06 CYCLOOXYGENASE-2 user 1 3 # 1 C 203 GLN A 94 GLN^? 4.68 C1 EDO A 102 C 207 HIS A 5 HIS^? 3.66 C2 EDO A 102s C 385 TYR A 70 TYR~? 4.47 O2 EDO A 103s coo 60.00 28.49 66.40 61.43 27.08 65.71 32.05 -24.90 27.25 31.50 -22.83 27.13 coo 56.23 29.81 64.65 57.85 30.66 63.63 29.39 -25.70 30.68 28.57 -23.87 31.25 coo 58.74 38.31 66.76 58.24 38.12 69.50 23.80 -29.17 27.91 24.12 -28.60 30.60 5cox_c06 source 5cox CYCLOOXYGENASE-2 : 1 hits 5cox_c06 naa= 3 ULMN 3 5cox_c07 CYCLOOXYGENASE-2 user 1 3 # 1 D 203 GLN A 94 GLN^? 4.68 C1 EDO A 102 D 207 HIS A 5 HIS^? 3.66 C2 EDO A 102s D 385 TYR A 70 TYR~? 4.47 O2 EDO A 103s coo 12.27 43.90 54.45 10.71 43.30 53.17 32.05 -24.90 27.25 31.50 -22.83 27.13 coo 16.03 41.92 55.47 14.38 41.13 56.50 29.39 -25.70 30.68 28.57 -23.87 31.25 coo 14.46 44.71 64.03 15.12 47.37 63.64 23.80 -29.17 27.91 24.12 -28.60 30.60 5cox_c07 source 5cox CYCLOOXYGENASE-2 : 1 hits 5cox_c07 naa= 3 ULMN 3 5fit_c00 FRAGILE HISTIDINE TRIAD PROTEIN user 1 3 # 1 83 GLN A -1 GLN.? 6.08 C1 EDO A 104 94 HIS B 76 HIS~? -3.94 OXT ACT B 102s 96 HIS B 73 HIS~? 5.11 C2 EDO A 104 coo 12.06 13.83 19.61 9.96 13.82 20.00 29.96 -42.38 21.18 30.64 -44.39 21.08 coo 15.69 26.32 19.80 17.39 27.17 20.68 20.42 -45.46 15.69 21.14 -46.68 14.13 coo 14.38 20.59 22.16 12.49 20.21 21.35 21.13 -40.83 20.13 19.87 -39.36 20.93 5fit_c00 source 5fit FRAGILE HISTIDINE TRIAD PROTEIN : 1 hits 5fit_c00 naa= 3 ULMN 3 5rsa_c01 RIBONUCLEASE A user 1 3 # 1 12 HIS A 5 HIS^? 3.66 C2 EDO A 102s 41 LYS A 38 LYS^? -2.86 O1 EDO A 104s 119 HIS A 76 HIS~? 3.91 O2 EDO A 102s coo 28.18 18.67 11.43 28.83 17.39 9.89 29.39 -25.70 30.68 28.57 -23.87 31.25 coo 25.33 8.32 6.30 27.86 13.90 7.82 27.72 -37.88 30.49 27.16 -40.68 26.03 coo 33.68 19.99 5.35 34.98 18.36 5.19 20.68 -25.44 29.29 22.44 -24.37 29.64 ULMN 3 5rsa_c01 RIBONUCLEASE A user 2 3 # 2 12 HIS A 73 HIS~? -4.02 O2 EDO A 105s 41 LYS A 38 LYS^? -2.86 O1 EDO A 104s 119 HIS A 76 HIS~? 3.91 O2 EDO A 102s coo 28.18 18.67 11.43 28.83 17.39 9.89 17.06 -30.49 26.75 15.82 -32.02 27.49 coo 25.33 8.32 6.30 27.86 13.90 7.82 27.72 -37.88 30.49 27.16 -40.68 26.03 coo 33.68 19.99 5.35 34.98 18.36 5.19 20.68 -25.44 29.29 22.44 -24.37 29.64 ULMN 3 5rsa_c01 RIBONUCLEASE A user 3 3 # 3 12 HIS B 5 HIS^? 5.90 OXT ACT B 102 41 LYS B 38 LYS.? 11.73 C1 EDO B 105 119 HIS B 76 HIS~? -3.94 OXT ACT B 102s coo 28.18 18.67 11.43 28.83 17.39 9.89 24.56 -45.54 8.01 23.59 -47.34 8.47 coo 25.33 8.32 6.30 27.86 13.90 7.82 23.51 -33.84 9.67 26.45 -31.79 13.35 coo 33.68 19.99 5.35 34.98 18.36 5.19 20.42 -45.46 15.69 21.14 -46.68 14.13 ULMN 3 5rsa_c01 RIBONUCLEASE A user 4 3 # 4 12 HIS B 73 HIS~? 5.11 C2 EDO A 104 41 LYS B 38 LYS.? 11.73 C1 EDO B 105 119 HIS B 76 HIS~? -3.94 OXT ACT B 102s coo 28.18 18.67 11.43 28.83 17.39 9.89 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 25.33 8.32 6.30 27.86 13.90 7.82 23.51 -33.84 9.67 26.45 -31.79 13.35 coo 33.68 19.99 5.35 34.98 18.36 5.19 20.42 -45.46 15.69 21.14 -46.68 14.13 ULMN 3 5rsa_c01 RIBONUCLEASE A user 5 3 # 5 12 HIS B 76 HIS~? -3.94 OXT ACT B 102s 41 LYS B 38 LYS.? 11.73 C1 EDO B 105 119 HIS B 73 HIS~? 5.11 C2 EDO A 104 coo 28.18 18.67 11.43 28.83 17.39 9.89 20.42 -45.46 15.69 21.14 -46.68 14.13 coo 25.33 8.32 6.30 27.86 13.90 7.82 23.51 -33.84 9.67 26.45 -31.79 13.35 coo 33.68 19.99 5.35 34.98 18.36 5.19 21.13 -40.83 20.13 19.87 -39.36 20.93 5rsa_c01 source 5rsa RIBONUCLEASE A : 5 hits 5rsa_c01 naa= 3 ULMN 1 1kbk_p00 ALPHA-AMYLASE, PANCREATIC user 1 1 # 1 A 461 ASN A -5 ASN.? -7.74 O1 EDO A 104s coo 5.80 63.03 55.85 5.52 65.03 56.45 29.90 -41.58 32.00 29.84 -42.46 30.04 ULMN 1 1kbk_p00 ALPHA-AMYLASE, PANCREATIC user 2 1 # 2 A 461 ASN A 12 ASN.? 8.27 O2 EDO A 108 coo 5.80 63.03 55.85 5.52 65.03 56.45 22.62 -9.72 42.54 20.75 -10.53 42.11 ULMN 1 1kbk_p00 ALPHA-AMYLASE, PANCREATIC user 3 1 # 3 A 461 ASN A 39 ASN^? 10.59 C2 EDO A 103 coo 5.80 63.03 55.85 5.52 65.03 56.45 29.70 -36.24 34.29 30.64 -37.97 33.66 ULMN 1 1kbk_p00 ALPHA-AMYLASE, PANCREATIC user 4 1 # 4 A 461 ASN A 52 ASN.? -6.21 C2 EDO A 111s coo 5.80 63.03 55.85 5.52 65.03 56.45 35.15 -18.30 46.67 36.80 -19.55 46.81 ULMN 1 1kbk_p00 ALPHA-AMYLASE, PANCREATIC user 5 1 # 5 A 461 ASN B -5 ASN.? -7.35 O1 EDO B 105s coo 5.80 63.03 55.85 5.52 65.03 56.45 23.22 -30.19 6.38 21.29 -29.48 6.94 ULMN 1 1kbk_p00 ALPHA-AMYLASE, PANCREATIC user 6 1 # 6 A 461 ASN B 12 ASN.? 15.94 CH3 ACT B 102 coo 5.80 63.03 55.85 5.52 65.03 56.45 10.97 -61.50 7.37 10.43 -60.80 9.30 ULMN 1 1kbk_p00 ALPHA-AMYLASE, PANCREATIC user 7 1 # 7 A 461 ASN B 39 ASN^? 4.87 O1 EDO B 105 coo 5.80 63.03 55.85 5.52 65.03 56.45 21.48 -35.09 5.61 22.53 -33.31 5.12 ULMN 1 1kbk_p00 ALPHA-AMYLASE, PANCREATIC user 8 1 # 8 A 461 ASN B 52 ASN.? 15.61 O2 EDO B 104 coo 5.80 63.03 55.85 5.52 65.03 56.45 14.32 -53.01 -5.43 15.07 -51.80 -6.99 1kbk_p00 source 1kbk ALPHA-AMYLASE, PANCREATIC : 8 hits 1kbk_p00 naa= 1 ULMN 3 1uy2_p00 ENDO-1,4-BETA-XYLANASE A user 1 3 # 1 A 51 TYR A -3 TYR.? 8.43 O1 EDO A 104 A 108 ASN A 39 ASN^? 10.59 C2 EDO A 103 A 135 ASN A -5 ASN.? -7.74 O1 EDO A 104s coo 17.59 4.66 17.88 15.38 5.96 18.97 32.49 -44.83 26.57 32.70 -46.37 24.23 coo 12.36 16.24 15.27 12.06 14.29 16.05 29.70 -36.24 34.29 30.64 -37.97 33.66 coo 18.05 11.56 12.71 17.57 10.75 14.60 29.90 -41.58 32.00 29.84 -42.46 30.04 1uy2_p00 source 1uy2 ENDO-1,4-BETA-XYLANASE A : 1 hits 1uy2_p00 naa= 3 ULMN 3 1uy4_p00 ENDO-1,4-BETA-XYLANASE A user 1 3 # 1 A 51 TYR A -3 TYR.? 8.43 O1 EDO A 104 A 108 ASN A 39 ASN^? 10.59 C2 EDO A 103 A 135 ASN A -5 ASN.? -7.74 O1 EDO A 104s coo 17.50 4.57 17.85 15.28 5.88 18.97 32.49 -44.83 26.57 32.70 -46.37 24.23 coo 12.22 15.98 15.24 11.94 14.05 16.09 29.70 -36.24 34.29 30.64 -37.97 33.66 coo 17.94 11.43 12.65 17.42 10.61 14.53 29.90 -41.58 32.00 29.84 -42.46 30.04 1uy4_p00 source 1uy4 ENDO-1,4-BETA-XYLANASE A : 1 hits 1uy4_p00 naa= 3 ULMN 3 1cqt_d00 GENE REGULATION/DNA user 1 3 # 1 I 303 TYR A 53 TYR.? -5.67 C2 EDO A 110s I 306 VAL A 91 VAL^? -4.15 C1 EDO A 107s I 308 VAL A 93 VAL^? 9.29 C1 EDO A 102 coo 26.18 35.24 6.87 24.33 35.18 8.97 32.28 -15.98 41.58 32.53 -13.67 40.07 coo 23.55 29.53 9.81 23.15 27.39 10.24 32.02 -16.69 34.38 33.97 -15.82 34.83 coo 16.43 30.18 9.35 15.05 30.67 11.01 34.82 -21.98 30.31 37.03 -21.97 30.73 ULMN 3 1cqt_d00 GENE REGULATION/DNA user 2 3 # 2 I 303 TYR B 53 TYR.? 14.89 OXT ACT B 102 I 306 VAL B 91 VAL^? 12.19 OXT ACT B 102 I 308 VAL B 93 VAL^? 12.91 OXT ACT B 102 coo 26.18 35.24 6.87 24.33 35.18 8.97 17.12 -55.21 -0.25 18.76 -57.47 0.21 coo 23.55 29.53 9.81 23.15 27.39 10.24 22.83 -54.48 3.86 22.34 -55.14 1.80 coo 16.43 30.18 9.35 15.05 30.67 11.01 27.83 -49.34 3.63 28.60 -49.42 1.59 1cqt_d00 source 1cqt GENE REGULATION/DNA : 2 hits 1cqt_d00 naa= 3 ULMN 3 1emh_d00 HYDROLASE/DNA user 1 3 # 1 A 271 PRO A 85 PRO.? 11.57 C5 NBZ A 112 A 272 LEU A 87 LEU^? 7.51 O1 NBZ A 112 A 276 ARG A 90 ARG^? 3.92 O2 NBZ A 112s coo 16.45 -2.42 17.59 14.58 -2.74 16.47 15.69 -14.05 37.40 17.83 -13.37 37.48 coo 10.97 0.43 16.73 11.31 2.11 18.06 23.53 -13.65 37.69 23.95 -15.76 37.12 coo 5.13 -4.12 13.47 2.16 -3.72 14.17 26.51 -17.50 33.30 27.88 -18.98 30.96 ULMN 3 1emh_d00 HYDROLASE/DNA user 2 3 # 2 A 271 PRO B 85 PRO.? 12.64 CH3 ACT B 102 A 272 LEU B 87 LEU^? 10.49 OXT ACT B 102 A 276 ARG B 90 ARG^? 7.30 OXT ACT B 102 coo 16.45 -2.42 17.59 14.58 -2.74 16.47 10.89 -57.06 15.72 12.36 -57.85 14.20 coo 10.97 0.43 16.73 11.31 2.11 18.06 15.35 -57.57 9.20 16.10 -55.54 9.05 coo 5.13 -4.12 13.47 2.16 -3.72 14.17 20.94 -53.69 9.07 23.65 -52.18 9.23 1emh_d00 source 1emh HYDROLASE/DNA : 2 hits 1emh_d00 naa= 3 ULMN 4 3odc_d00 DNA BINDING PROTEIN/DNA user 1 4 # 1 B 122 ARG A 90 ARG^? 3.92 O2 NBZ A 112s B 148 LYS A 38 LYS^? -2.86 O1 EDO A 104s B 151 LEU A 61 LEU^? 7.92 C2 EDO A 102 B 154 ILE A 3 ILE^? 9.62 C2 EDO A 102 coo 13.00 32.05 60.31 16.02 31.73 59.80 26.51 -17.50 33.30 27.88 -18.98 30.96 coo 11.05 44.13 44.68 12.77 44.45 49.56 27.72 -37.88 30.49 27.16 -40.68 26.03 coo 11.72 38.91 44.77 13.11 39.67 46.23 28.64 -31.94 26.66 26.84 -31.08 27.62 coo 7.03 36.97 46.99 7.83 37.90 47.52 32.92 -30.34 25.76 32.71 -29.35 24.76 ULMN 4 3odc_d00 DNA BINDING PROTEIN/DNA user 2 4 # 2 B 122 ARG B 4 ARG^? 5.32 O2 EDO B 105 B 148 LYS B 29 LYS~? 12.18 O1 EDO B 104 B 151 LEU B 30 LEU~? 5.49 O ACT B 102 B 154 ILE B 34 ILE~? 7.74 O ACT B 102 coo 13.00 32.05 60.31 16.02 31.73 59.80 25.02 -40.81 1.35 23.83 -38.19 0.28 coo 11.05 44.13 44.68 12.77 44.45 49.56 11.33 -38.31 14.91 6.22 -40.97 17.66 coo 11.72 38.91 44.77 13.11 39.67 46.23 15.69 -40.28 14.09 15.80 -42.22 15.06 coo 7.03 36.97 46.99 7.83 37.90 47.52 19.99 -38.38 16.55 20.40 -39.80 16.43 ULMN 4 3odc_d00 DNA BINDING PROTEIN/DNA user 3 4 # 3 B 122 ARG B 68 ARG~? 13.19 C1 EDO A 104 B 148 LYS B 29 LYS~? 12.18 O1 EDO B 104 B 151 LEU B 30 LEU~? 5.49 O ACT B 102 B 154 ILE B 34 ILE~? 7.74 O ACT B 102 coo 13.00 32.05 60.31 16.02 31.73 59.80 31.65 -46.03 15.78 32.85 -48.29 14.05 coo 11.05 44.13 44.68 12.77 44.45 49.56 11.33 -38.31 14.91 6.22 -40.97 17.66 coo 11.72 38.91 44.77 13.11 39.67 46.23 15.69 -40.28 14.09 15.80 -42.22 15.06 coo 7.03 36.97 46.99 7.83 37.90 47.52 19.99 -38.38 16.55 20.40 -39.80 16.43 ULMN 4 3odc_d00 DNA BINDING PROTEIN/DNA user 4 4 # 4 B 122 ARG B 90 ARG^? 7.30 OXT ACT B 102 B 148 LYS B 29 LYS~? 12.18 O1 EDO B 104 B 151 LEU B 30 LEU~? 5.49 O ACT B 102 B 154 ILE B 34 ILE~? 7.74 O ACT B 102 coo 13.00 32.05 60.31 16.02 31.73 59.80 20.94 -53.69 9.07 23.65 -52.18 9.23 coo 11.05 44.13 44.68 12.77 44.45 49.56 11.33 -38.31 14.91 6.22 -40.97 17.66 coo 11.72 38.91 44.77 13.11 39.67 46.23 15.69 -40.28 14.09 15.80 -42.22 15.06 coo 7.03 36.97 46.99 7.83 37.90 47.52 19.99 -38.38 16.55 20.40 -39.80 16.43 ULMN 4 3odc_d00 DNA BINDING PROTEIN/DNA user 5 4 # 5 B 122 ARG B 90 ARG^? 7.30 OXT ACT B 102 B 148 LYS B 38 LYS.? 11.73 C1 EDO B 105 B 151 LEU B 37 LEU.? 7.24 O ACT B 102 B 154 ILE B 34 ILE~? 7.74 O ACT B 102 coo 13.00 32.05 60.31 16.02 31.73 59.80 20.94 -53.69 9.07 23.65 -52.18 9.23 coo 11.05 44.13 44.68 12.77 44.45 49.56 23.51 -33.84 9.67 26.45 -31.79 13.35 coo 11.72 38.91 44.77 13.11 39.67 46.23 20.99 -36.91 12.22 20.40 -38.90 11.98 coo 7.03 36.97 46.99 7.83 37.90 47.52 19.99 -38.38 16.55 20.40 -39.80 16.43 ULMN 4 3odc_d00 DNA BINDING PROTEIN/DNA user 6 4 # 6 B 122 ARG B 90 ARG^? 7.30 OXT ACT B 102 B 148 LYS B 38 LYS.? 11.73 C1 EDO B 105 B 151 LEU B 61 LEU^? 9.55 O ACT B 102 B 154 ILE B 3 ILE^? 11.17 C1 EDO B 105 coo 13.00 32.05 60.31 16.02 31.73 59.80 20.94 -53.69 9.07 23.65 -52.18 9.23 coo 11.05 44.13 44.68 12.77 44.45 49.56 23.51 -33.84 9.67 26.45 -31.79 13.35 coo 11.72 38.91 44.77 13.11 39.67 46.23 27.55 -39.08 10.62 25.77 -40.38 11.00 coo 7.03 36.97 46.99 7.83 37.90 47.52 30.62 -40.74 7.40 31.34 -41.85 8.04 3odc_d00 source 3odc DNA BINDING PROTEIN/DNA : 6 hits 3odc_d00 naa= 4 ULMN 3 4hp3_d00 DNA BINDING PROTEIN/DNA user 1 3 # 1 C 61 LYS A 38 LYS^? -2.86 O1 EDO A 104s C 90 HIS A 76 HIS~? 3.91 O2 EDO A 102s C 91 GLN A 71 GLN~? -4.00 O1 EDO A 102s coo -19.62 -7.95 11.61 -14.74 -11.23 10.80 27.72 -37.88 30.49 27.16 -40.68 26.03 coo -14.60 -21.92 8.98 -13.75 -22.48 7.16 20.68 -25.44 29.29 22.44 -24.37 29.64 coo -19.27 -22.51 13.20 -20.06 -20.67 12.43 24.64 -24.43 24.90 25.74 -23.20 23.58 ULMN 3 4hp3_d00 DNA BINDING PROTEIN/DNA user 2 3 # 2 C 61 LYS B 38 LYS.? 11.73 C1 EDO B 105 C 90 HIS B 76 HIS~? -3.94 OXT ACT B 102s C 91 GLN B 71 GLN~? 10.01 OXT ACT B 102 coo -19.62 -7.95 11.61 -14.74 -11.23 10.80 23.51 -33.84 9.67 26.45 -31.79 13.35 coo -14.60 -21.92 8.98 -13.75 -22.48 7.16 20.42 -45.46 15.69 21.14 -46.68 14.13 coo -19.27 -22.51 13.20 -20.06 -20.67 12.43 26.83 -46.80 14.76 28.45 -48.23 14.84 4hp3_d00 source 4hp3 DNA BINDING PROTEIN/DNA : 2 hits 4hp3_d00 naa= 3 ULMN 3 2odj_o01 PORIN D user 1 3 # 1 B 156 HIS A 76 HIS~? 3.91 O2 EDO A 102s B 208 ASP A 62 ASP^? -3.71 O1 EDO A 104s B 296 SER B 28 SER~? 6.31 O1 EDO B 104 coo -2.35 -7.60 76.02 -1.45 -9.49 76.24 20.68 -25.44 29.29 22.44 -24.37 29.64 coo -7.90 -19.74 71.88 -5.88 -19.94 71.25 29.38 -36.88 23.98 30.56 -38.20 22.76 coo -24.72 -6.64 81.21 -24.66 -4.26 81.67 10.64 -39.26 11.27 8.38 -39.28 12.08 2odj_o01 source 2ODJ PORIN D : 1 hits 2odj_o01 naa= 3 ULMN 3 2wwt_o00 INTRACELLULAR SUBTILISIN PROTEASE user 1 3 # 1 A 49 ASP A 72 ASP~? 9.41 O1 EDO A 102 A 86 HIS A 76 HIS~? 3.91 O2 EDO A 102s A 250 ALA A 32 ALA.? -5.14 O2 EDO A 103s coo 18.89 -28.09 25.11 19.05 -26.61 23.60 19.04 -26.10 21.93 20.11 -24.78 20.72 coo 21.50 -24.76 21.11 19.82 -23.58 21.50 20.68 -25.44 29.29 22.44 -24.37 29.64 coo 16.40 -19.57 19.82 17.00 -20.87 19.22 18.89 -31.60 30.32 19.49 -30.34 29.72 ULMN 3 2wwt_o00 INTRACELLULAR SUBTILISIN PROTEASE user 2 3 # 2 A 49 ASP A 72 ASP~? 9.41 O1 EDO A 102 A 86 HIS A 76 HIS~? 3.91 O2 EDO A 102s A 250 ALA A 78 ALA~? 9.16 C4 NBZ A 112 coo 18.89 -28.09 25.11 19.05 -26.61 23.60 19.04 -26.10 21.93 20.11 -24.78 20.72 coo 21.50 -24.76 21.11 19.82 -23.58 21.50 20.68 -25.44 29.29 22.44 -24.37 29.64 coo 16.40 -19.57 19.82 17.00 -20.87 19.22 14.23 -23.30 32.13 13.34 -24.45 32.44 ULMN 3 2wwt_o00 INTRACELLULAR SUBTILISIN PROTEASE user 3 3 # 3 A 49 ASP A 75 ASP~? -3.37 CL CL A 101s A 86 HIS A 73 HIS~? -4.02 O2 EDO A 105s A 250 ALA A 69 ALA~? 8.89 O2 EDO A 105 coo 18.89 -28.09 25.11 19.05 -26.61 23.60 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 21.50 -24.76 21.11 19.82 -23.58 21.50 17.06 -30.49 26.75 15.82 -32.02 27.49 coo 16.40 -19.57 19.82 17.00 -20.87 19.22 21.83 -29.76 22.01 21.88 -31.27 21.77 ULMN 3 2wwt_o00 INTRACELLULAR SUBTILISIN PROTEASE user 4 3 # 4 A 49 ASP A 75 ASP~? -3.37 CL CL A 101s A 86 HIS A 76 HIS~? 3.91 O2 EDO A 102s A 250 ALA A 69 ALA~? 8.89 O2 EDO A 105 coo 18.89 -28.09 25.11 19.05 -26.61 23.60 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 21.50 -24.76 21.11 19.82 -23.58 21.50 20.68 -25.44 29.29 22.44 -24.37 29.64 coo 16.40 -19.57 19.82 17.00 -20.87 19.22 21.83 -29.76 22.01 21.88 -31.27 21.77 ULMN 3 2wwt_o00 INTRACELLULAR SUBTILISIN PROTEASE user 5 3 # 5 A 49 ASP B 72 ASP~? -3.91 O2 EDO A 104s A 86 HIS B 73 HIS~? 5.11 C2 EDO A 104 A 250 ALA B 78 ALA~? 9.37 CH3 ACT B 102 coo 18.89 -28.09 25.11 19.05 -26.61 23.60 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 21.50 -24.76 21.11 19.82 -23.58 21.50 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 16.40 -19.57 19.82 17.00 -20.87 19.22 14.97 -47.84 20.03 14.24 -46.69 20.72 ULMN 3 2wwt_o00 INTRACELLULAR SUBTILISIN PROTEASE user 6 3 # 6 A 49 ASP B 75 ASP~? 7.34 C2 EDO A 105 A 86 HIS B 73 HIS~? 5.11 C2 EDO A 104 A 250 ALA B 69 ALA~? 3.93 C1 EDO A 104 coo 18.89 -28.09 25.11 19.05 -26.61 23.60 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 21.50 -24.76 21.11 19.82 -23.58 21.50 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 16.40 -19.57 19.82 17.00 -20.87 19.22 27.47 -41.30 18.33 27.70 -39.80 18.34 ULMN 3 2wwt_o00 INTRACELLULAR SUBTILISIN PROTEASE user 7 3 # 7 A 49 ASP B 75 ASP~? 7.34 C2 EDO A 105 A 86 HIS B 76 HIS~? -3.94 OXT ACT B 102s A 250 ALA B 69 ALA~? 3.93 C1 EDO A 104 coo 18.89 -28.09 25.11 19.05 -26.61 23.60 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 21.50 -24.76 21.11 19.82 -23.58 21.50 20.42 -45.46 15.69 21.14 -46.68 14.13 coo 16.40 -19.57 19.82 17.00 -20.87 19.22 27.47 -41.30 18.33 27.70 -39.80 18.34 2wwt_o00 source 2WWT INTRACELLULAR SUBTILISIN PROTEASE : 7 hits 2wwt_o00 naa= 3 ULMN 3 2wwt_o01 INTRACELLULAR SUBTILISIN PROTEASE user 1 3 # 1 B 49 ASP A 72 ASP~? 9.41 O1 EDO A 102 B 86 HIS A 73 HIS~? -4.02 O2 EDO A 105s B 250 ALA A 78 ALA~? 9.16 C4 NBZ A 112 coo -25.60 -8.15 41.87 -24.93 -7.05 43.55 19.04 -26.10 21.93 20.11 -24.78 20.72 coo -24.87 -3.97 45.59 -22.79 -4.09 45.73 17.06 -30.49 26.75 15.82 -32.02 27.49 coo -17.45 -4.02 46.78 -18.80 -4.41 47.26 14.23 -23.30 32.13 13.34 -24.45 32.44 ULMN 3 2wwt_o01 INTRACELLULAR SUBTILISIN PROTEASE user 2 3 # 2 B 49 ASP A 72 ASP~? 9.41 O1 EDO A 102 B 86 HIS A 76 HIS~? 3.91 O2 EDO A 102s B 250 ALA A 32 ALA.? -5.14 O2 EDO A 103s coo -25.60 -8.15 41.87 -24.93 -7.05 43.55 19.04 -26.10 21.93 20.11 -24.78 20.72 coo -24.87 -3.97 45.59 -22.79 -4.09 45.73 20.68 -25.44 29.29 22.44 -24.37 29.64 coo -17.45 -4.02 46.78 -18.80 -4.41 47.26 18.89 -31.60 30.32 19.49 -30.34 29.72 ULMN 3 2wwt_o01 INTRACELLULAR SUBTILISIN PROTEASE user 3 3 # 3 B 49 ASP A 72 ASP~? 9.41 O1 EDO A 102 B 86 HIS A 76 HIS~? 3.91 O2 EDO A 102s B 250 ALA A 78 ALA~? 9.16 C4 NBZ A 112 coo -25.60 -8.15 41.87 -24.93 -7.05 43.55 19.04 -26.10 21.93 20.11 -24.78 20.72 coo -24.87 -3.97 45.59 -22.79 -4.09 45.73 20.68 -25.44 29.29 22.44 -24.37 29.64 coo -17.45 -4.02 46.78 -18.80 -4.41 47.26 14.23 -23.30 32.13 13.34 -24.45 32.44 ULMN 3 2wwt_o01 INTRACELLULAR SUBTILISIN PROTEASE user 4 3 # 4 B 49 ASP A 75 ASP~? -3.37 CL CL A 101s B 86 HIS A 73 HIS~? -4.02 O2 EDO A 105s B 250 ALA A 69 ALA~? 8.89 O2 EDO A 105 coo -25.60 -8.15 41.87 -24.93 -7.05 43.55 16.12 -29.42 31.11 14.94 -31.11 31.50 coo -24.87 -3.97 45.59 -22.79 -4.09 45.73 17.06 -30.49 26.75 15.82 -32.02 27.49 coo -17.45 -4.02 46.78 -18.80 -4.41 47.26 21.83 -29.76 22.01 21.88 -31.27 21.77 ULMN 3 2wwt_o01 INTRACELLULAR SUBTILISIN PROTEASE user 5 3 # 5 B 49 ASP A 75 ASP~? -3.37 CL CL A 101s B 86 HIS A 76 HIS~? 3.91 O2 EDO A 102s B 250 ALA A 69 ALA~? 8.89 O2 EDO A 105 coo -25.60 -8.15 41.87 -24.93 -7.05 43.55 16.12 -29.42 31.11 14.94 -31.11 31.50 coo -24.87 -3.97 45.59 -22.79 -4.09 45.73 20.68 -25.44 29.29 22.44 -24.37 29.64 coo -17.45 -4.02 46.78 -18.80 -4.41 47.26 21.83 -29.76 22.01 21.88 -31.27 21.77 ULMN 3 2wwt_o01 INTRACELLULAR SUBTILISIN PROTEASE user 6 3 # 6 B 49 ASP A 75 ASP~? -3.37 CL CL A 101s B 86 HIS A 76 HIS~? 3.91 O2 EDO A 102s B 250 ALA A 81 ALA~? 9.38 C4 NBZ A 112 coo -25.60 -8.15 41.87 -24.93 -7.05 43.55 16.12 -29.42 31.11 14.94 -31.11 31.50 coo -24.87 -3.97 45.59 -22.79 -4.09 45.73 20.68 -25.44 29.29 22.44 -24.37 29.64 coo -17.45 -4.02 46.78 -18.80 -4.41 47.26 15.71 -18.57 33.45 14.32 -19.03 32.89 ULMN 3 2wwt_o01 INTRACELLULAR SUBTILISIN PROTEASE user 7 3 # 7 B 49 ASP B 72 ASP~? -3.91 O2 EDO A 104s B 86 HIS B 73 HIS~? 5.11 C2 EDO A 104 B 250 ALA B 78 ALA~? 9.37 CH3 ACT B 102 coo -25.60 -8.15 41.87 -24.93 -7.05 43.55 26.38 -44.91 20.83 26.53 -45.26 22.94 coo -24.87 -3.97 45.59 -22.79 -4.09 45.73 21.13 -40.83 20.13 19.87 -39.36 20.93 coo -17.45 -4.02 46.78 -18.80 -4.41 47.26 14.97 -47.84 20.03 14.24 -46.69 20.72 ULMN 3 2wwt_o01 INTRACELLULAR SUBTILISIN PROTEASE user 8 3 # 8 B 49 ASP B 75 ASP~? 7.34 C2 EDO A 105 B 86 HIS B 73 HIS~? 5.11 C2 EDO A 104 B 250 ALA B 69 ALA~? 3.93 C1 EDO A 104 coo -25.60 -8.15 41.87 -24.93 -7.05 43.55 16.30 -41.75 19.83 15.36 -40.72 21.44 coo -24.87 -3.97 45.59 -22.79 -4.09 45.73 21.13 -40.83 20.13 19.87 -39.36 20.93 coo -17.45 -4.02 46.78 -18.80 -4.41 47.26 27.47 -41.30 18.33 27.70 -39.80 18.34 ULMN 3 2wwt_o01 INTRACELLULAR SUBTILISIN PROTEASE user 9 3 # 9 B 49 ASP B 75 ASP~? 7.34 C2 EDO A 105 B 86 HIS B 76 HIS~? -3.94 OXT ACT B 102s B 250 ALA B 69 ALA~? 3.93 C1 EDO A 104 coo -25.60 -8.15 41.87 -24.93 -7.05 43.55 16.30 -41.75 19.83 15.36 -40.72 21.44 coo -24.87 -3.97 45.59 -22.79 -4.09 45.73 20.42 -45.46 15.69 21.14 -46.68 14.13 coo -17.45 -4.02 46.78 -18.80 -4.41 47.26 27.47 -41.30 18.33 27.70 -39.80 18.34 2wwt_o01 source 2WWT INTRACELLULAR SUBTILISIN PROTEASE : 9 hits 2wwt_o01 naa= 3 ULMN 3 2wwt_o02 INTRACELLULAR SUBTILISIN PROTEASE user 1 3 # 1 C 49 ASP A 72 ASP~? 9.41 O1 EDO A 102 C 86 HIS A 76 HIS~? 3.91 O2 EDO A 102s C 250 ALA A 32 ALA.? -5.14 O2 EDO A 103s coo 52.29 -8.84 6.54 53.45 -9.52 8.16 19.04 -26.10 21.93 20.11 -24.78 20.72 coo 56.78 -9.42 10.42 56.27 -11.41 10.02 20.68 -25.44 29.29 22.44 -24.37 29.64 coo 56.74 -16.59 11.78 56.33 -15.18 12.23 18.89 -31.60 30.32 19.49 -30.34 29.72 ULMN 3 2wwt_o02 INTRACELLULAR SUBTILISIN PROTEASE user 2 3 # 2 C 49 ASP A 72 ASP~? 9.41 O1 EDO A 102 C 86 HIS A 76 HIS~? 3.91 O2 EDO A 102s C 250 ALA A 78 ALA~? 9.16 C4 NBZ A 112 coo 52.29 -8.84 6.54 53.45 -9.52 8.16 19.04 -26.10 21.93 20.11 -24.78 20.72 coo 56.78 -9.42 10.42 56.27 -11.41 10.02 20.68 -25.44 29.29 22.44 -24.37 29.64 coo 56.74 -16.59 11.78 56.33 -15.18 12.23 14.23 -23.30 32.13 13.34 -24.45 32.44 ULMN 3 2wwt_o02 INTRACELLULAR SUBTILISIN PROTEASE user 3 3 # 3 C 49 ASP A 75 ASP~? -3.37 CL CL A 101s C 86 HIS A 73 HIS~? -4.02 O2 EDO A 105s C 250 ALA A 69 ALA~? 8.89 O2 EDO A 105 coo 52.29 -8.84 6.54 53.45 -9.52 8.16 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 56.78 -9.42 10.42 56.27 -11.41 10.02 17.06 -30.49 26.75 15.82 -32.02 27.49 coo 56.74 -16.59 11.78 56.33 -15.18 12.23 21.83 -29.76 22.01 21.88 -31.27 21.77 ULMN 3 2wwt_o02 INTRACELLULAR SUBTILISIN PROTEASE user 4 3 # 4 C 49 ASP A 75 ASP~? -3.37 CL CL A 101s C 86 HIS A 76 HIS~? 3.91 O2 EDO A 102s C 250 ALA A 69 ALA~? 8.89 O2 EDO A 105 coo 52.29 -8.84 6.54 53.45 -9.52 8.16 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 56.78 -9.42 10.42 56.27 -11.41 10.02 20.68 -25.44 29.29 22.44 -24.37 29.64 coo 56.74 -16.59 11.78 56.33 -15.18 12.23 21.83 -29.76 22.01 21.88 -31.27 21.77 ULMN 3 2wwt_o02 INTRACELLULAR SUBTILISIN PROTEASE user 5 3 # 5 C 49 ASP B 72 ASP~? -3.91 O2 EDO A 104s C 86 HIS B 76 HIS~? -3.94 OXT ACT B 102s C 250 ALA B 78 ALA~? 9.37 CH3 ACT B 102 coo 52.29 -8.84 6.54 53.45 -9.52 8.16 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 56.78 -9.42 10.42 56.27 -11.41 10.02 20.42 -45.46 15.69 21.14 -46.68 14.13 coo 56.74 -16.59 11.78 56.33 -15.18 12.23 14.97 -47.84 20.03 14.24 -46.69 20.72 ULMN 3 2wwt_o02 INTRACELLULAR SUBTILISIN PROTEASE user 6 3 # 6 C 49 ASP B 75 ASP~? 7.34 C2 EDO A 105 C 86 HIS B 73 HIS~? 5.11 C2 EDO A 104 C 250 ALA B 69 ALA~? 3.93 C1 EDO A 104 coo 52.29 -8.84 6.54 53.45 -9.52 8.16 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 56.78 -9.42 10.42 56.27 -11.41 10.02 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 56.74 -16.59 11.78 56.33 -15.18 12.23 27.47 -41.30 18.33 27.70 -39.80 18.34 ULMN 3 2wwt_o02 INTRACELLULAR SUBTILISIN PROTEASE user 7 3 # 7 C 49 ASP B 75 ASP~? 7.34 C2 EDO A 105 C 86 HIS B 76 HIS~? -3.94 OXT ACT B 102s C 250 ALA B 69 ALA~? 3.93 C1 EDO A 104 coo 52.29 -8.84 6.54 53.45 -9.52 8.16 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 56.78 -9.42 10.42 56.27 -11.41 10.02 20.42 -45.46 15.69 21.14 -46.68 14.13 coo 56.74 -16.59 11.78 56.33 -15.18 12.23 27.47 -41.30 18.33 27.70 -39.80 18.34 2wwt_o02 source 2WWT INTRACELLULAR SUBTILISIN PROTEASE : 7 hits 2wwt_o02 naa= 3 ULMN 3 2wwt_o03 INTRACELLULAR SUBTILISIN PROTEASE user 1 3 # 1 D 49 ASP A 72 ASP~? 9.41 O1 EDO A 102 D 86 HIS A 73 HIS~? -4.02 O2 EDO A 105s D 250 ALA A 78 ALA~? 9.16 C4 NBZ A 112 coo 33.58 -54.23 -8.77 34.81 -54.76 -10.41 19.04 -26.10 21.93 20.11 -24.78 20.72 coo 36.78 -56.86 -12.59 37.95 -55.16 -12.26 17.06 -30.49 26.75 15.82 -32.02 27.49 coo 41.85 -51.50 -13.98 40.55 -52.02 -14.52 14.23 -23.30 32.13 13.34 -24.45 32.44 ULMN 3 2wwt_o03 INTRACELLULAR SUBTILISIN PROTEASE user 2 3 # 2 D 49 ASP A 72 ASP~? 9.41 O1 EDO A 102 D 86 HIS A 76 HIS~? 3.91 O2 EDO A 102s D 250 ALA A 32 ALA.? -5.14 O2 EDO A 103s coo 33.58 -54.23 -8.77 34.81 -54.76 -10.41 19.04 -26.10 21.93 20.11 -24.78 20.72 coo 36.78 -56.86 -12.59 37.95 -55.16 -12.26 20.68 -25.44 29.29 22.44 -24.37 29.64 coo 41.85 -51.50 -13.98 40.55 -52.02 -14.52 18.89 -31.60 30.32 19.49 -30.34 29.72 ULMN 3 2wwt_o03 INTRACELLULAR SUBTILISIN PROTEASE user 3 3 # 3 D 49 ASP A 72 ASP~? 9.41 O1 EDO A 102 D 86 HIS A 76 HIS~? 3.91 O2 EDO A 102s D 250 ALA A 78 ALA~? 9.16 C4 NBZ A 112 coo 33.58 -54.23 -8.77 34.81 -54.76 -10.41 19.04 -26.10 21.93 20.11 -24.78 20.72 coo 36.78 -56.86 -12.59 37.95 -55.16 -12.26 20.68 -25.44 29.29 22.44 -24.37 29.64 coo 41.85 -51.50 -13.98 40.55 -52.02 -14.52 14.23 -23.30 32.13 13.34 -24.45 32.44 ULMN 3 2wwt_o03 INTRACELLULAR SUBTILISIN PROTEASE user 4 3 # 4 D 49 ASP A 75 ASP~? -3.37 CL CL A 101s D 86 HIS A 73 HIS~? -4.02 O2 EDO A 105s D 250 ALA A 69 ALA~? 8.89 O2 EDO A 105 coo 33.58 -54.23 -8.77 34.81 -54.76 -10.41 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 36.78 -56.86 -12.59 37.95 -55.16 -12.26 17.06 -30.49 26.75 15.82 -32.02 27.49 coo 41.85 -51.50 -13.98 40.55 -52.02 -14.52 21.83 -29.76 22.01 21.88 -31.27 21.77 ULMN 3 2wwt_o03 INTRACELLULAR SUBTILISIN PROTEASE user 5 3 # 5 D 49 ASP A 75 ASP~? -3.37 CL CL A 101s D 86 HIS A 76 HIS~? 3.91 O2 EDO A 102s D 250 ALA A 69 ALA~? 8.89 O2 EDO A 105 coo 33.58 -54.23 -8.77 34.81 -54.76 -10.41 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 36.78 -56.86 -12.59 37.95 -55.16 -12.26 20.68 -25.44 29.29 22.44 -24.37 29.64 coo 41.85 -51.50 -13.98 40.55 -52.02 -14.52 21.83 -29.76 22.01 21.88 -31.27 21.77 ULMN 3 2wwt_o03 INTRACELLULAR SUBTILISIN PROTEASE user 6 3 # 6 D 49 ASP A 75 ASP~? -3.37 CL CL A 101s D 86 HIS A 76 HIS~? 3.91 O2 EDO A 102s D 250 ALA A 81 ALA~? 9.38 C4 NBZ A 112 coo 33.58 -54.23 -8.77 34.81 -54.76 -10.41 16.12 -29.42 31.11 14.94 -31.11 31.50 coo 36.78 -56.86 -12.59 37.95 -55.16 -12.26 20.68 -25.44 29.29 22.44 -24.37 29.64 coo 41.85 -51.50 -13.98 40.55 -52.02 -14.52 15.71 -18.57 33.45 14.32 -19.03 32.89 ULMN 3 2wwt_o03 INTRACELLULAR SUBTILISIN PROTEASE user 7 3 # 7 D 49 ASP B 72 ASP~? -3.91 O2 EDO A 104s D 86 HIS B 73 HIS~? 5.11 C2 EDO A 104 D 250 ALA B 78 ALA~? 9.37 CH3 ACT B 102 coo 33.58 -54.23 -8.77 34.81 -54.76 -10.41 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 36.78 -56.86 -12.59 37.95 -55.16 -12.26 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 41.85 -51.50 -13.98 40.55 -52.02 -14.52 14.97 -47.84 20.03 14.24 -46.69 20.72 ULMN 3 2wwt_o03 INTRACELLULAR SUBTILISIN PROTEASE user 8 3 # 8 D 49 ASP B 75 ASP~? 7.34 C2 EDO A 105 D 86 HIS B 73 HIS~? 5.11 C2 EDO A 104 D 250 ALA B 69 ALA~? 3.93 C1 EDO A 104 coo 33.58 -54.23 -8.77 34.81 -54.76 -10.41 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 36.78 -56.86 -12.59 37.95 -55.16 -12.26 21.13 -40.83 20.13 19.87 -39.36 20.93 coo 41.85 -51.50 -13.98 40.55 -52.02 -14.52 27.47 -41.30 18.33 27.70 -39.80 18.34 ULMN 3 2wwt_o03 INTRACELLULAR SUBTILISIN PROTEASE user 9 3 # 9 D 49 ASP B 75 ASP~? 7.34 C2 EDO A 105 D 86 HIS B 76 HIS~? -3.94 OXT ACT B 102s D 250 ALA B 69 ALA~? 3.93 C1 EDO A 104 coo 33.58 -54.23 -8.77 34.81 -54.76 -10.41 16.30 -41.75 19.83 15.36 -40.72 21.44 coo 36.78 -56.86 -12.59 37.95 -55.16 -12.26 20.42 -45.46 15.69 21.14 -46.68 14.13 coo 41.85 -51.50 -13.98 40.55 -52.02 -14.52 27.47 -41.30 18.33 27.70 -39.80 18.34 2wwt_o03 source 2WWT INTRACELLULAR SUBTILISIN PROTEASE : 9 hits 2wwt_o03 naa= 3 ULMN 3 2wwt_o04 INTRACELLULAR SUBTILISIN PROTEASE user 1 3 # 1 E 49 ASP A 72 ASP~? 9.41 O1 EDO A 102 E 86 HIS A 73 HIS~? -4.02 O2 EDO A 105s E 250 ALA A 33 ALA.? 3.70 CL CL A 101s coo -36.18 24.97 18.78 -36.93 26.11 17.11 19.04 -26.10 21.93 20.11 -24.78 20.72 coo -36.85 29.32 15.06 -38.90 29.14 15.48 17.06 -30.49 26.75 15.82 -32.02 27.49 coo -44.49 29.68 13.98 -43.47 28.67 13.52 19.95 -35.27 30.54 19.58 -36.13 31.70 ULMN 3 2wwt_o04 INTRACELLULAR SUBTILISIN PROTEASE user 2 3 # 2 E 49 ASP A 72 ASP~? 9.41 O1 EDO A 102 E 86 HIS A 73 HIS~? -4.02 O2 EDO A 105s E 250 ALA A 78 ALA~? 9.16 C4 NBZ A 112 coo -36.18 24.97 18.78 -36.93 26.11 17.11 19.04 -26.10 21.93 20.11 -24.78 20.72 coo -36.85 29.32 15.06 -38.90 29.14 15.48 17.06 -30.49 26.75 15.82 -32.02 27.49 coo -44.49 29.68 13.98 -43.47 28.67 13.52 14.23 -23.30 32.13 13.34 -24.45 32.44 ULMN 3 2wwt_o04 INTRACELLULAR SUBTILISIN PROTEASE user 3 3 # 3 E 49 ASP A 72 ASP~? 9.41 O1 EDO A 102 E 86 HIS A 76 HIS~? 3.91 O2 EDO A 102s E 250 ALA A 32 ALA.? -5.14 O2 EDO A 103s coo -36.18 24.97 18.78 -36.93 26.11 17.11 19.04 -26.10 21.93 20.11 -24.78 20.72 coo -36.85 29.32 15.06 -38.90 29.14 15.48 20.68 -25.44 29.29 22.44 -24.37 29.64 coo -44.49 29.68 13.98 -43.47 28.67 13.52 18.89 -31.60 30.32 19.49 -30.34 29.72 ULMN 3 2wwt_o04 INTRACELLULAR SUBTILISIN PROTEASE user 4 3 # 4 E 49 ASP A 72 ASP~? 9.41 O1 EDO A 102 E 86 HIS A 76 HIS~? 3.91 O2 EDO A 102s E 250 ALA A 78 ALA~? 9.16 C4 NBZ A 112 coo -36.18 24.97 18.78 -36.93 26.11 17.11 19.04 -26.10 21.93 20.11 -24.78 20.72 coo -36.85 29.32 15.06 -38.90 29.14 15.48 20.68 -25.44 29.29 22.44 -24.37 29.64 coo -44.49 29.68 13.98 -43.47 28.67 13.52 14.23 -23.30 32.13 13.34 -24.45 32.44 ULMN 3 2wwt_o04 INTRACELLULAR SUBTILISIN PROTEASE user 5 3 # 5 E 49 ASP A 75 ASP~? -3.37 CL CL A 101s E 86 HIS A 73 HIS~? -4.02 O2 EDO A 105s E 250 ALA A 69 ALA~? 8.89 O2 EDO A 105 coo -36.18 24.97 18.78 -36.93 26.11 17.11 16.12 -29.42 31.11 14.94 -31.11 31.50 coo -36.85 29.32 15.06 -38.90 29.14 15.48 17.06 -30.49 26.75 15.82 -32.02 27.49 coo -44.49 29.68 13.98 -43.47 28.67 13.52 21.83 -29.76 22.01 21.88 -31.27 21.77 ULMN 3 2wwt_o04 INTRACELLULAR SUBTILISIN PROTEASE user 6 3 # 6 E 49 ASP A 75 ASP~? -3.37 CL CL A 101s E 86 HIS A 76 HIS~? 3.91 O2 EDO A 102s E 250 ALA A 69 ALA~? 8.89 O2 EDO A 105 coo -36.18 24.97 18.78 -36.93 26.11 17.11 16.12 -29.42 31.11 14.94 -31.11 31.50 coo -36.85 29.32 15.06 -38.90 29.14 15.48 20.68 -25.44 29.29 22.44 -24.37 29.64 coo -44.49 29.68 13.98 -43.47 28.67 13.52 21.83 -29.76 22.01 21.88 -31.27 21.77 ULMN 3 2wwt_o04 INTRACELLULAR SUBTILISIN PROTEASE user 7 3 # 7 E 49 ASP A 75 ASP~? -3.37 CL CL A 101s E 86 HIS A 76 HIS~? 3.91 O2 EDO A 102s E 250 ALA A 81 ALA~? 9.38 C4 NBZ A 112 coo -36.18 24.97 18.78 -36.93 26.11 17.11 16.12 -29.42 31.11 14.94 -31.11 31.50 coo -36.85 29.32 15.06 -38.90 29.14 15.48 20.68 -25.44 29.29 22.44 -24.37 29.64 coo -44.49 29.68 13.98 -43.47 28.67 13.52 15.71 -18.57 33.45 14.32 -19.03 32.89 ULMN 3 2wwt_o04 INTRACELLULAR SUBTILISIN PROTEASE user 8 3 # 8 E 49 ASP B 72 ASP~? -3.91 O2 EDO A 104s E 86 HIS B 73 HIS~? 5.11 C2 EDO A 104 E 250 ALA B 78 ALA~? 9.37 CH3 ACT B 102 coo -36.18 24.97 18.78 -36.93 26.11 17.11 26.38 -44.91 20.83 26.53 -45.26 22.94 coo -36.85 29.32 15.06 -38.90 29.14 15.48 21.13 -40.83 20.13 19.87 -39.36 20.93 coo -44.49 29.68 13.98 -43.47 28.67 13.52 14.97 -47.84 20.03 14.24 -46.69 20.72 ULMN 3 2wwt_o04 INTRACELLULAR SUBTILISIN PROTEASE user 9 3 # 9 E 49 ASP B 75 ASP~? 7.34 C2 EDO A 105 E 86 HIS B 73 HIS~? 5.11 C2 EDO A 104 E 250 ALA B 69 ALA~? 3.93 C1 EDO A 104 coo -36.18 24.97 18.78 -36.93 26.11 17.11 16.30 -41.75 19.83 15.36 -40.72 21.44 coo -36.85 29.32 15.06 -38.90 29.14 15.48 21.13 -40.83 20.13 19.87 -39.36 20.93 coo -44.49 29.68 13.98 -43.47 28.67 13.52 27.47 -41.30 18.33 27.70 -39.80 18.34 ULMN 3 2wwt_o04 INTRACELLULAR SUBTILISIN PROTEASE user 10 3 # 10 E 49 ASP B 75 ASP~? 7.34 C2 EDO A 105 E 86 HIS B 76 HIS~? -3.94 OXT ACT B 102s E 250 ALA B 69 ALA~? 3.93 C1 EDO A 104 coo -36.18 24.97 18.78 -36.93 26.11 17.11 16.30 -41.75 19.83 15.36 -40.72 21.44 coo -36.85 29.32 15.06 -38.90 29.14 15.48 20.42 -45.46 15.69 21.14 -46.68 14.13 coo -44.49 29.68 13.98 -43.47 28.67 13.52 27.47 -41.30 18.33 27.70 -39.80 18.34 ULMN 3 2wwt_o04 INTRACELLULAR SUBTILISIN PROTEASE user 11 3 # 11 E 49 ASP B 75 ASP~? 7.34 C2 EDO A 105 E 86 HIS B 76 HIS~? -3.94 OXT ACT B 102s E 250 ALA B 81 ALA~? 10.03 CH3 ACT B 102 coo -36.18 24.97 18.78 -36.93 26.11 17.11 16.30 -41.75 19.83 15.36 -40.72 21.44 coo -36.85 29.32 15.06 -38.90 29.14 15.48 20.42 -45.46 15.69 21.14 -46.68 14.13 coo -44.49 29.68 13.98 -43.47 28.67 13.52 14.49 -52.51 18.03 14.38 -52.17 19.55 2wwt_o04 source 2WWT INTRACELLULAR SUBTILISIN PROTEASE : 11 hits 2wwt_o04 naa= 3 ULMN 3 2wwt_o05 INTRACELLULAR SUBTILISIN PROTEASE user 1 3 # 1 F 49 ASP A 72 ASP~? 9.41 O1 EDO A 102 F 86 HIS A 73 HIS~? -4.02 O2 EDO A 105s F 250 ALA A 33 ALA.? 3.70 CL CL A 101s coo -82.12 8.55 35.60 -81.93 9.84 37.19 19.04 -26.10 21.93 20.11 -24.78 20.72 coo -84.21 11.81 39.90 -82.43 12.70 39.26 17.06 -30.49 26.75 15.82 -32.02 27.49 coo -78.49 17.13 41.31 -79.25 15.85 41.61 19.95 -35.27 30.54 19.58 -36.13 31.70 ULMN 3 2wwt_o05 INTRACELLULAR SUBTILISIN PROTEASE user 2 3 # 2 F 49 ASP A 72 ASP~? 9.41 O1 EDO A 102 F 86 HIS A 73 HIS~? -4.02 O2 EDO A 105s F 250 ALA A 78 ALA~? 9.16 C4 NBZ A 112 coo -82.12 8.55 35.60 -81.93 9.84 37.19 19.04 -26.10 21.93 20.11 -24.78 20.72 coo -84.21 11.81 39.90 -82.43 12.70 39.26 17.06 -30.49 26.75 15.82 -32.02 27.49 coo -78.49 17.13 41.31 -79.25 15.85 41.61 14.23 -23.30 32.13 13.34 -24.45 32.44 ULMN 3 2wwt_o05 INTRACELLULAR SUBTILISIN PROTEASE user 3 3 # 3 F 49 ASP A 72 ASP~? 9.41 O1 EDO A 102 F 86 HIS A 76 HIS~? 3.91 O2 EDO A 102s F 250 ALA A 32 ALA.? -5.14 O2 EDO A 103s coo -82.12 8.55 35.60 -81.93 9.84 37.19 19.04 -26.10 21.93 20.11 -24.78 20.72 coo -84.21 11.81 39.90 -82.43 12.70 39.26 20.68 -25.44 29.29 22.44 -24.37 29.64 coo -78.49 17.13 41.31 -79.25 15.85 41.61 18.89 -31.60 30.32 19.49 -30.34 29.72 ULMN 3 2wwt_o05 INTRACELLULAR SUBTILISIN PROTEASE user 4 3 # 4 F 49 ASP A 72 ASP~? 9.41 O1 EDO A 102 F 86 HIS A 76 HIS~? 3.91 O2 EDO A 102s F 250 ALA A 78 ALA~? 9.16 C4 NBZ A 112 coo -82.12 8.55 35.60 -81.93 9.84 37.19 19.04 -26.10 21.93 20.11 -24.78 20.72 coo -84.21 11.81 39.90 -82.43 12.70 39.26 20.68 -25.44 29.29 22.44 -24.37 29.64 coo -78.49 17.13 41.31 -79.25 15.85 41.61 14.23 -23.30 32.13 13.34 -24.45 32.44 ULMN 3 2wwt_o05 INTRACELLULAR SUBTILISIN PROTEASE user 5 3 # 5 F 49 ASP A 75 ASP~? -3.37 CL CL A 101s F 86 HIS A 73 HIS~? -4.02 O2 EDO A 105s F 250 ALA A 69 ALA~? 8.89 O2 EDO A 105 coo -82.12 8.55 35.60 -81.93 9.84 37.19 16.12 -29.42 31.11 14.94 -31.11 31.50 coo -84.21 11.81 39.90 -82.43 12.70 39.26 17.06 -30.49 26.75 15.82 -32.02 27.49 coo -78.49 17.13 41.31 -79.25 15.85 41.61 21.83 -29.76 22.01 21.88 -31.27 21.77 ULMN 3 2wwt_o05 INTRACELLULAR SUBTILISIN PROTEASE user 6 3 # 6 F 49 ASP A 75 ASP~? -3.37 CL CL A 101s F 86 HIS A 76 HIS~? 3.91 O2 EDO A 102s F 250 ALA A 69 ALA~? 8.89 O2 EDO A 105 coo -82.12 8.55 35.60 -81.93 9.84 37.19 16.12 -29.42 31.11 14.94 -31.11 31.50 coo -84.21 11.81 39.90 -82.43 12.70 39.26 20.68 -25.44 29.29 22.44 -24.37 29.64 coo -78.49 17.13 41.31 -79.25 15.85 41.61 21.83 -29.76 22.01 21.88 -31.27 21.77 ULMN 3 2wwt_o05 INTRACELLULAR SUBTILISIN PROTEASE user 7 3 # 7 F 49 ASP A 75 ASP~? -3.37 CL CL A 101s F 86 HIS A 76 HIS~? 3.91 O2 EDO A 102s F 250 ALA A 81 ALA~? 9.38 C4 NBZ A 112 coo -82.12 8.55 35.60 -81.93 9.84 37.19 16.12 -29.42 31.11 14.94 -31.11 31.50 coo -84.21 11.81 39.90 -82.43 12.70 39.26 20.68 -25.44 29.29 22.44 -24.37 29.64 coo -78.49 17.13 41.31 -79.25 15.85 41.61 15.71 -18.57 33.45 14.32 -19.03 32.89 ULMN 3 2wwt_o05 INTRACELLULAR SUBTILISIN PROTEASE user 8 3 # 8 F 49 ASP B 72 ASP~? -3.91 O2 EDO A 104s F 86 HIS B 73 HIS~? 5.11 C2 EDO A 104 F 250 ALA B 78 ALA~? 9.37 CH3 ACT B 102 coo -82.12 8.55 35.60 -81.93 9.84 37.19 26.38 -44.91 20.83 26.53 -45.26 22.94 coo -84.21 11.81 39.90 -82.43 12.70 39.26 21.13 -40.83 20.13 19.87 -39.36 20.93 coo -78.49 17.13 41.31 -79.25 15.85 41.61 14.97 -47.84 20.03 14.24 -46.69 20.72 ULMN 3 2wwt_o05 INTRACELLULAR SUBTILISIN PROTEASE user 9 3 # 9 F 49 ASP B 75 ASP~? 7.34 C2 EDO A 105 F 86 HIS B 73 HIS~? 5.11 C2 EDO A 104 F 250 ALA B 69 ALA~? 3.93 C1 EDO A 104 coo -82.12 8.55 35.60 -81.93 9.84 37.19 16.30 -41.75 19.83 15.36 -40.72 21.44 coo -84.21 11.81 39.90 -82.43 12.70 39.26 21.13 -40.83 20.13 19.87 -39.36 20.93 coo -78.49 17.13 41.31 -79.25 15.85 41.61 27.47 -41.30 18.33 27.70 -39.80 18.34 ULMN 3 2wwt_o05 INTRACELLULAR SUBTILISIN PROTEASE user 10 3 # 10 F 49 ASP B 75 ASP~? 7.34 C2 EDO A 105 F 86 HIS B 76 HIS~? -3.94 OXT ACT B 102s F 250 ALA B 69 ALA~? 3.93 C1 EDO A 104 coo -82.12 8.55 35.60 -81.93 9.84 37.19 16.30 -41.75 19.83 15.36 -40.72 21.44 coo -84.21 11.81 39.90 -82.43 12.70 39.26 20.42 -45.46 15.69 21.14 -46.68 14.13 coo -78.49 17.13 41.31 -79.25 15.85 41.61 27.47 -41.30 18.33 27.70 -39.80 18.34 ULMN 3 2wwt_o05 INTRACELLULAR SUBTILISIN PROTEASE user 11 3 # 11 F 49 ASP B 75 ASP~? 7.34 C2 EDO A 105 F 86 HIS B 76 HIS~? -3.94 OXT ACT B 102s F 250 ALA B 81 ALA~? 10.03 CH3 ACT B 102 coo -82.12 8.55 35.60 -81.93 9.84 37.19 16.30 -41.75 19.83 15.36 -40.72 21.44 coo -84.21 11.81 39.90 -82.43 12.70 39.26 20.42 -45.46 15.69 21.14 -46.68 14.13 coo -78.49 17.13 41.31 -79.25 15.85 41.61 14.49 -52.51 18.03 14.38 -52.17 19.55 2wwt_o05 source 2WWT INTRACELLULAR SUBTILISIN PROTEASE : 11 hits 2wwt_o05 naa= 3 ULMN 4 3ay3_o00 NAD-DEPENDENT EPIMERASE/DEHYDRATASE user 1 4 # 1 A 33 ASP B 72 ASP~? -3.91 O2 EDO A 104s A 50 ASP A 62 ASP^? -3.71 O1 EDO A 104s A 135 TYR B 40 TYR^? 4.63 O ACT B 102s A 139 LYS B 29 LYS~? 12.18 O1 EDO B 104 coo 70.97 69.36 47.09 72.37 70.68 46.17 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 70.64 63.25 38.70 71.64 63.73 36.92 29.38 -36.88 23.98 30.56 -38.20 22.76 coo 76.54 81.45 36.18 74.68 81.93 38.25 17.73 -39.49 9.16 17.04 -42.03 10.10 coo 70.40 81.94 33.22 70.32 79.36 37.92 11.33 -38.31 14.91 6.22 -40.97 17.66 3ay3_o00 source 3AY3 NAD-DEPENDENT EPIMERASE/DEHYDRATASE : 1 hits 3ay3_o00 naa= 4 ULMN 4 3ay3_o01 NAD-DEPENDENT EPIMERASE/DEHYDRATASE user 1 4 # 1 B 33 ASP B 72 ASP~? -3.91 O2 EDO A 104s B 50 ASP A 62 ASP^? -3.71 O1 EDO A 104s B 135 TYR B 40 TYR^? 4.63 O ACT B 102s B 139 LYS B 29 LYS~? 12.18 O1 EDO B 104 coo 74.18 70.35 5.04 72.24 70.85 5.80 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 77.13 65.83 12.97 75.77 65.81 14.64 29.38 -36.88 23.98 30.56 -38.20 22.76 coo 62.73 77.36 15.79 63.97 78.80 13.74 17.73 -39.49 9.16 17.04 -42.03 10.10 coo 67.49 80.95 18.75 69.23 79.00 14.39 11.33 -38.31 14.91 6.22 -40.97 17.66 3ay3_o01 source 3AY3 NAD-DEPENDENT EPIMERASE/DEHYDRATASE : 1 hits 3ay3_o01 naa= 4 ULMN 4 3ay3_o02 NAD-DEPENDENT EPIMERASE/DEHYDRATASE user 1 4 # 1 C 33 ASP B 72 ASP~? -3.91 O2 EDO A 104s C 50 ASP A 62 ASP^? -3.71 O1 EDO A 104s C 135 TYR B 40 TYR^? 4.63 O ACT B 102s C 139 LYS B 29 LYS~? 12.18 O1 EDO B 104 coo 86.20 60.28 31.38 86.67 62.15 32.25 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 81.03 56.94 39.98 80.92 58.13 41.68 29.38 -36.88 23.98 30.56 -38.20 22.76 coo 93.45 71.06 42.47 95.04 69.99 40.46 17.73 -39.49 9.16 17.04 -42.03 10.10 coo 97.22 66.11 45.24 94.47 64.68 41.07 11.33 -38.31 14.91 6.22 -40.97 17.66 3ay3_o02 source 3AY3 NAD-DEPENDENT EPIMERASE/DEHYDRATASE : 1 hits 3ay3_o02 naa= 4 ULMN 4 3ay3_o03 NAD-DEPENDENT EPIMERASE/DEHYDRATASE user 1 4 # 1 D 33 ASP B 72 ASP~? -3.91 O2 EDO A 104s D 50 ASP A 62 ASP^? -3.71 O1 EDO A 104s D 135 TYR B 40 TYR^? 4.63 O ACT B 102s D 139 LYS B 29 LYS~? 12.18 O1 EDO B 104 coo 85.52 62.84 73.55 86.96 61.48 72.69 26.38 -44.91 20.83 26.53 -45.26 22.94 coo 79.58 63.22 65.19 80.01 62.49 63.28 29.38 -36.88 23.98 30.56 -38.20 22.76 coo 97.27 56.92 62.74 97.69 58.80 64.79 17.73 -39.49 9.16 17.04 -42.03 10.10 coo 98.02 63.02 59.73 95.39 63.19 64.30 11.33 -38.31 14.91 6.22 -40.97 17.66 3ay3_o03 source 3AY3 NAD-DEPENDENT EPIMERASE/DEHYDRATASE : 1 hits 3ay3_o03 naa= 4