*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMN 3 2wwt_o00 INTRACELLULAR SUBTILISIN PROTEASE user 1 3 # 1 A 49 ASP A 18 ASP~? 1000.00 A 86 HIS A 21 HIS~? 1000.00 A 250 ALA A 96 ALA^? 1000.00 coo 18.89 -28.09 25.11 19.05 -26.61 23.60 26.87 -23.27 -16.72 26.31 -23.96 -18.62 coo 21.50 -24.76 21.11 19.82 -23.58 21.50 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo 16.40 -19.57 19.82 17.00 -20.87 19.22 19.10 -29.71 -22.50 20.08 -29.54 -23.63 ULMN 3 2wwt_o00 INTRACELLULAR SUBTILISIN PROTEASE user 2 3 # 2 A 49 ASP B 18 ASP^? 1000.00 A 86 HIS B 21 HIS^? 1000.00 A 250 ALA B 96 ALA^? 1000.00 coo 18.89 -28.09 25.11 19.05 -26.61 23.60 6.68 -34.89 -92.82 7.57 -34.75 -90.92 coo 21.50 -24.76 21.11 19.82 -23.58 21.50 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo 16.40 -19.57 19.82 17.00 -20.87 19.22 16.17 -31.39 -87.06 15.53 -32.16 -85.92 2wwt_o00 source 2WWT INTRACELLULAR SUBTILISIN PROTEASE : 2 hits 2wwt_o00 naa= 3 ULMN 4 1avf_c00 GASTRICSIN user 1 4 # 1 A 32 ASP A 18 ASP~? 1000.00 A 35 SER A 16 SER.? 1000.00 A 217 ASP A 4 ASP^? 1000.00 A 220 THR A 5 THR^? 1000.00 coo -10.06 2.54 49.69 -8.83 3.73 50.96 26.87 -23.27 -16.72 26.31 -23.96 -18.62 coo -11.96 5.74 52.90 -10.55 6.74 51.22 29.28 -18.48 -20.76 27.76 -20.30 -20.33 coo -5.22 1.43 56.08 -5.36 2.84 54.49 19.46 -21.33 -18.77 18.88 -20.63 -16.86 coo -1.48 1.48 52.34 -0.65 2.04 54.29 19.47 -20.80 -23.49 17.87 -20.32 -24.84 ULMN 4 1avf_c00 GASTRICSIN user 2 4 # 2 A 32 ASP B 18 ASP^? 1000.00 A 35 SER B 16 SER^? 1000.00 A 217 ASP B 4 ASP^? 1000.00 A 220 THR B 5 THR^? 1000.00 coo -10.06 2.54 49.69 -8.83 3.73 50.96 6.68 -34.89 -92.82 7.57 -34.75 -90.92 coo -11.96 5.74 52.90 -10.55 6.74 51.22 1.34 -34.60 -88.79 3.68 -34.16 -89.21 coo -5.22 1.43 56.08 -5.36 2.84 54.49 8.72 -27.52 -90.78 8.40 -26.67 -92.69 coo -1.48 1.48 52.34 -0.65 2.04 54.29 8.27 -27.26 -86.05 8.66 -25.65 -84.68 1avf_c00 source 1avf GASTRICSIN : 2 hits 1avf_c00 naa= 4 ULMN 4 1avf_c01 GASTRICSIN user 1 4 # 1 J 32 ASP A 18 ASP~? 1000.00 J 35 SER A 16 SER.? 1000.00 J 217 ASP A 4 ASP^? 1000.00 J 220 THR A 5 THR^? 1000.00 coo -37.57 -17.54 20.53 -38.55 -18.66 19.00 26.87 -23.27 -16.72 26.31 -23.96 -18.62 coo -40.93 -20.91 21.81 -38.85 -21.36 20.65 29.28 -18.48 -20.76 27.76 -20.30 -20.33 coo -43.00 -16.46 14.92 -41.37 -17.71 15.28 19.46 -21.33 -18.77 18.88 -20.63 -16.86 coo -38.56 -16.44 11.85 -40.37 -16.72 10.69 19.47 -20.80 -23.49 17.87 -20.32 -24.84 ULMN 4 1avf_c01 GASTRICSIN user 2 4 # 2 J 32 ASP B 18 ASP^? 1000.00 J 35 SER B 16 SER^? 1000.00 J 217 ASP B 4 ASP^? 1000.00 J 220 THR B 5 THR^? 1000.00 coo -37.57 -17.54 20.53 -38.55 -18.66 19.00 6.68 -34.89 -92.82 7.57 -34.75 -90.92 coo -40.93 -20.91 21.81 -38.85 -21.36 20.65 1.34 -34.60 -88.79 3.68 -34.16 -89.21 coo -43.00 -16.46 14.92 -41.37 -17.71 15.28 8.72 -27.52 -90.78 8.40 -26.67 -92.69 coo -38.56 -16.44 11.85 -40.37 -16.72 10.69 8.27 -27.26 -86.05 8.66 -25.65 -84.68 1avf_c01 source 1avf GASTRICSIN : 2 hits 1avf_c01 naa= 4 ULMN 4 1cd5_c00 GLUCOSAMINE 6-PHOSPHATE DEAMINASE user 1 4 # 1 A 72 ASP A 13 ASP.? 1000.00 A 141 ASP A 18 ASP~? 1000.00 A 143 HIS A 21 HIS~? 1000.00 A 148 GLU A 26 GLU^? 1000.00 coo 86.21 51.78 11.27 86.87 50.27 12.61 35.39 -17.87 -27.45 36.78 -19.31 -28.08 coo 77.92 48.13 25.32 78.70 49.17 23.61 26.87 -23.27 -16.72 26.31 -23.96 -18.62 coo 79.83 48.98 19.95 81.76 49.72 20.33 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo 76.11 54.71 19.44 77.75 55.81 18.59 25.58 -17.25 -21.04 25.74 -16.50 -19.06 ULMN 4 1cd5_c00 GLUCOSAMINE 6-PHOSPHATE DEAMINASE user 2 4 # 2 A 72 ASP B 13 ASP^? 1000.00 A 141 ASP B 18 ASP^? 1000.00 A 143 HIS B 21 HIS^? 1000.00 A 148 GLU B 26 GLU^? 1000.00 coo 86.21 51.78 11.27 86.87 50.27 12.61 -2.24 -39.57 -82.10 -1.69 -41.51 -81.47 coo 77.92 48.13 25.32 78.70 49.17 23.61 6.68 -34.89 -92.82 7.57 -34.75 -90.92 coo 79.83 48.98 19.95 81.76 49.72 20.33 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo 76.11 54.71 19.44 77.75 55.81 18.59 2.14 -30.76 -88.51 1.40 -30.52 -90.48 1cd5_c00 source 1cd5 GLUCOSAMINE 6-PHOSPHATE DEAMINASE : 2 hits 1cd5_c00 naa= 4 ULMN 4 1cms_c02 CHYMOSIN B (FORMERLY KNOWN AS RENNINuser 1 4 # 1 34 ASP A 18 ASP~? 1000.00 37 SER A 16 SER.? 1000.00 216 ASP A 4 ASP^? 1000.00 219 THR A 5 THR^? 1000.00 coo 16.90 26.20 29.49 16.22 24.50 28.41 26.87 -23.27 -16.72 26.31 -23.96 -18.62 coo 12.23 24.31 30.40 14.55 23.96 31.03 29.28 -18.48 -20.76 27.76 -20.30 -20.33 coo 13.93 25.52 22.10 14.75 24.44 23.75 19.46 -21.33 -18.77 18.88 -20.63 -16.86 coo 18.26 23.14 21.54 16.59 21.96 20.68 19.47 -20.80 -23.49 17.87 -20.32 -24.84 ULMN 4 1cms_c02 CHYMOSIN B (FORMERLY KNOWN AS RENNINuser 2 4 # 2 34 ASP B 18 ASP^? 1000.00 37 SER B 16 SER^? 1000.00 216 ASP B 4 ASP^? 1000.00 219 THR B 5 THR^? 1000.00 coo 16.90 26.20 29.49 16.22 24.50 28.41 6.68 -34.89 -92.82 7.57 -34.75 -90.92 coo 12.23 24.31 30.40 14.55 23.96 31.03 1.34 -34.60 -88.79 3.68 -34.16 -89.21 coo 13.93 25.52 22.10 14.75 24.44 23.75 8.72 -27.52 -90.78 8.40 -26.67 -92.69 coo 18.26 23.14 21.54 16.59 21.96 20.68 8.27 -27.26 -86.05 8.66 -25.65 -84.68 1cms_c02 source 1cms CHYMOSIN B (FORMERLY KNOWN AS RENNIN) (E.C.3.4: 2 hits 1cms_c02 naa= 4 ULMN 4 1dbt_c02 OROTIDINE 5'-PHOSPHATE DECARBOXYLASEuser 1 4 # 1 A 33 LYS A 11 LYS.? 1000.00 A 60 ASP A 13 ASP.? 1000.00 A 62 LYS A 23 LYS.? 1000.00 A 65 ASP A 19 ASP~? 1000.00 coo 71.59 57.86 25.98 66.66 59.50 26.53 35.58 -20.94 -33.59 38.95 -22.16 -38.38 coo 66.44 58.31 23.16 64.45 58.00 23.81 35.39 -17.87 -27.45 36.78 -19.31 -28.08 coo 61.71 58.67 18.68 62.06 59.06 24.07 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 57.96 61.59 10.16 57.54 63.39 9.12 29.74 -27.57 -15.65 30.35 -27.04 -13.70 ULMN 4 1dbt_c02 OROTIDINE 5'-PHOSPHATE DECARBOXYLASEuser 2 4 # 2 A 33 LYS B 11 LYS^? 1000.00 A 60 ASP B 13 ASP^? 1000.00 A 62 LYS B 23 LYS^? 1000.00 A 65 ASP B 19 ASP^? 1000.00 coo 71.59 57.86 25.98 66.66 59.50 26.53 0.33 -41.28 -75.95 -0.30 -44.81 -71.18 coo 66.44 58.31 23.16 64.45 58.00 23.81 -2.24 -39.57 -82.10 -1.69 -41.51 -81.47 coo 61.71 58.67 18.68 62.06 59.06 24.07 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 57.96 61.59 10.16 57.54 63.39 9.12 8.97 -39.53 -93.90 8.21 -39.80 -95.86 1dbt_c02 source 1dbt OROTIDINE 5'-PHOSPHATE DECARBOXYLASE : 2 hits 1dbt_c02 naa= 4 ULMN 4 1dbt_c03 OROTIDINE 5'-PHOSPHATE DECARBOXYLASEuser 1 4 # 1 B 33 LYS A 11 LYS.? 1000.00 B 60 ASP A 13 ASP.? 1000.00 B 62 LYS A 23 LYS.? 1000.00 B 65 ASP A 18 ASP~? 1000.00 coo 60.66 73.37 6.16 58.97 68.44 6.56 35.58 -20.94 -33.59 38.95 -22.16 -38.38 coo 58.78 69.55 10.14 57.19 68.14 10.07 35.39 -17.87 -27.45 36.78 -19.31 -28.08 coo 57.51 66.37 15.65 56.43 65.69 10.35 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 59.76 62.84 24.35 61.26 61.55 25.03 26.87 -23.27 -16.72 26.31 -23.96 -18.62 ULMN 4 1dbt_c03 OROTIDINE 5'-PHOSPHATE DECARBOXYLASEuser 2 4 # 2 B 33 LYS A 11 LYS.? 1000.00 B 60 ASP A 13 ASP.? 1000.00 B 62 LYS A 23 LYS.? 1000.00 B 65 ASP A 19 ASP~? 1000.00 coo 60.66 73.37 6.16 58.97 68.44 6.56 35.58 -20.94 -33.59 38.95 -22.16 -38.38 coo 58.78 69.55 10.14 57.19 68.14 10.07 35.39 -17.87 -27.45 36.78 -19.31 -28.08 coo 57.51 66.37 15.65 56.43 65.69 10.35 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 59.76 62.84 24.35 61.26 61.55 25.03 29.74 -27.57 -15.65 30.35 -27.04 -13.70 ULMN 4 1dbt_c03 OROTIDINE 5'-PHOSPHATE DECARBOXYLASEuser 3 4 # 3 B 33 LYS B 11 LYS^? 1000.00 B 60 ASP B 13 ASP^? 1000.00 B 62 LYS B 23 LYS^? 1000.00 B 65 ASP B 18 ASP^? 1000.00 coo 60.66 73.37 6.16 58.97 68.44 6.56 0.33 -41.28 -75.95 -0.30 -44.81 -71.18 coo 58.78 69.55 10.14 57.19 68.14 10.07 -2.24 -39.57 -82.10 -1.69 -41.51 -81.47 coo 57.51 66.37 15.65 56.43 65.69 10.35 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 59.76 62.84 24.35 61.26 61.55 25.03 6.68 -34.89 -92.82 7.57 -34.75 -90.92 ULMN 4 1dbt_c03 OROTIDINE 5'-PHOSPHATE DECARBOXYLASEuser 4 4 # 4 B 33 LYS B 11 LYS^? 1000.00 B 60 ASP B 13 ASP^? 1000.00 B 62 LYS B 23 LYS^? 1000.00 B 65 ASP B 19 ASP^? 1000.00 coo 60.66 73.37 6.16 58.97 68.44 6.56 0.33 -41.28 -75.95 -0.30 -44.81 -71.18 coo 58.78 69.55 10.14 57.19 68.14 10.07 -2.24 -39.57 -82.10 -1.69 -41.51 -81.47 coo 57.51 66.37 15.65 56.43 65.69 10.35 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 59.76 62.84 24.35 61.26 61.55 25.03 8.97 -39.53 -93.90 8.21 -39.80 -95.86 1dbt_c03 source 1dbt OROTIDINE 5'-PHOSPHATE DECARBOXYLASE : 4 hits 1dbt_c03 naa= 4 ULMN 4 1dbt_c04 OROTIDINE 5'-PHOSPHATE DECARBOXYLASEuser 1 4 # 1 C 33 LYS A 11 LYS.? 1000.00 C 60 ASP A 13 ASP.? 1000.00 C 62 LYS A 23 LYS.? 1000.00 C 65 ASP A 18 ASP~? 1000.00 coo 48.78 54.73 53.49 45.16 54.73 57.01 35.58 -20.94 -33.59 38.95 -22.16 -38.38 coo 46.15 51.25 57.34 45.59 51.66 59.34 35.39 -17.87 -27.45 36.78 -19.31 -28.08 coo 43.68 46.22 60.72 43.55 51.70 60.99 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 39.24 37.68 61.54 37.35 37.05 60.87 26.87 -23.27 -16.72 26.31 -23.96 -18.62 ULMN 4 1dbt_c04 OROTIDINE 5'-PHOSPHATE DECARBOXYLASEuser 2 4 # 2 C 33 LYS A 11 LYS.? 1000.00 C 60 ASP A 13 ASP.? 1000.00 C 62 LYS A 23 LYS.? 1000.00 C 65 ASP A 19 ASP~? 1000.00 coo 48.78 54.73 53.49 45.16 54.73 57.01 35.58 -20.94 -33.59 38.95 -22.16 -38.38 coo 46.15 51.25 57.34 45.59 51.66 59.34 35.39 -17.87 -27.45 36.78 -19.31 -28.08 coo 43.68 46.22 60.72 43.55 51.70 60.99 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 39.24 37.68 61.54 37.35 37.05 60.87 29.74 -27.57 -15.65 30.35 -27.04 -13.70 ULMN 4 1dbt_c04 OROTIDINE 5'-PHOSPHATE DECARBOXYLASEuser 3 4 # 3 C 33 LYS B 11 LYS^? 1000.00 C 60 ASP B 13 ASP^? 1000.00 C 62 LYS B 23 LYS^? 1000.00 C 65 ASP B 18 ASP^? 1000.00 coo 48.78 54.73 53.49 45.16 54.73 57.01 0.33 -41.28 -75.95 -0.30 -44.81 -71.18 coo 46.15 51.25 57.34 45.59 51.66 59.34 -2.24 -39.57 -82.10 -1.69 -41.51 -81.47 coo 43.68 46.22 60.72 43.55 51.70 60.99 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 39.24 37.68 61.54 37.35 37.05 60.87 6.68 -34.89 -92.82 7.57 -34.75 -90.92 ULMN 4 1dbt_c04 OROTIDINE 5'-PHOSPHATE DECARBOXYLASEuser 4 4 # 4 C 33 LYS B 11 LYS^? 1000.00 C 60 ASP B 13 ASP^? 1000.00 C 62 LYS B 23 LYS^? 1000.00 C 65 ASP B 19 ASP^? 1000.00 coo 48.78 54.73 53.49 45.16 54.73 57.01 0.33 -41.28 -75.95 -0.30 -44.81 -71.18 coo 46.15 51.25 57.34 45.59 51.66 59.34 -2.24 -39.57 -82.10 -1.69 -41.51 -81.47 coo 43.68 46.22 60.72 43.55 51.70 60.99 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 39.24 37.68 61.54 37.35 37.05 60.87 8.97 -39.53 -93.90 8.21 -39.80 -95.86 1dbt_c04 source 1dbt OROTIDINE 5'-PHOSPHATE DECARBOXYLASE : 4 hits 1dbt_c04 naa= 4 ULMN 4 1djo_c00 GLUTAMINASE-ASPARAGINASE user 1 4 # 1 A1020 THR A 134 THR^? 1000.00 A1034 TYR A 100 TYR^? 1000.00 A1100 THR A 103 THR^? 1000.00 B3294 GLU A 84 GLU^? 1000.00 coo 40.94 131.25 89.60 39.24 130.12 90.27 17.32 -30.60 -36.41 18.42 -32.44 -36.43 coo 35.38 132.08 89.27 36.78 129.74 88.76 16.60 -26.06 -32.54 13.89 -26.00 -33.19 coo 43.56 124.16 89.51 42.17 124.73 91.05 24.28 -26.60 -40.66 24.51 -28.76 -40.89 coo 33.89 125.64 85.55 35.54 126.95 85.33 25.54 -27.52 -32.09 27.26 -28.36 -31.17 ULMN 4 1djo_c00 GLUTAMINASE-ASPARAGINASE user 2 4 # 2 A1020 THR B 134 THR^? 1000.00 A1034 TYR B 100 TYR^? 1000.00 A1100 THR B 103 THR^? 1000.00 B3294 GLU B 84 GLU^? 1000.00 coo 40.94 131.25 89.60 39.24 130.12 90.27 17.83 -30.32 -73.14 18.88 -32.19 -73.12 coo 35.38 132.08 89.27 36.78 129.74 88.76 14.25 -27.42 -77.01 15.57 -25.03 -76.37 coo 43.56 124.16 89.51 42.17 124.73 91.05 10.89 -34.34 -68.89 12.65 -35.61 -68.66 coo 33.89 125.64 85.55 35.54 126.95 85.33 11.05 -35.89 -77.46 10.93 -37.79 -78.39 1djo_c00 source 1djo GLUTAMINASE-ASPARAGINASE : 2 hits 1djo_c00 naa= 4 ULMN 4 1djo_c01 GLUTAMINASE-ASPARAGINASE user 1 4 # 1 A1294 GLU A 84 GLU^? 1000.00 B3020 THR A 134 THR^? 1000.00 B3034 TYR A 100 TYR^? 1000.00 B3100 THR A 103 THR^? 1000.00 coo 42.18 93.40 84.96 40.44 92.19 85.03 25.54 -27.52 -32.09 27.26 -28.36 -31.17 coo 35.69 87.89 89.88 37.41 89.09 90.33 17.32 -30.60 -36.41 18.42 -32.44 -36.43 coo 40.98 87.08 88.86 39.63 89.46 88.41 16.60 -26.06 -32.54 13.89 -26.00 -33.19 coo 33.09 94.86 90.18 34.63 94.22 91.55 24.28 -26.60 -40.66 24.51 -28.76 -40.89 ULMN 4 1djo_c01 GLUTAMINASE-ASPARAGINASE user 2 4 # 2 A1294 GLU B 84 GLU^? 1000.00 B3020 THR B 134 THR^? 1000.00 B3034 TYR B 100 TYR^? 1000.00 B3100 THR B 103 THR^? 1000.00 coo 42.18 93.40 84.96 40.44 92.19 85.03 11.05 -35.89 -77.46 10.93 -37.79 -78.39 coo 35.69 87.89 89.88 37.41 89.09 90.33 17.83 -30.32 -73.14 18.88 -32.19 -73.12 coo 40.98 87.08 88.86 39.63 89.46 88.41 14.25 -27.42 -77.01 15.57 -25.03 -76.37 coo 33.09 94.86 90.18 34.63 94.22 91.55 10.89 -34.34 -68.89 12.65 -35.61 -68.66 1djo_c01 source 1djo GLUTAMINASE-ASPARAGINASE : 2 hits 1djo_c01 naa= 4 ULMN 4 1ds2_c01 PROTEINASE B (SGPB user 1 4 # 1 E 57 HIS A 21 HIS~? 1000.00 E 102 ASP A 19 ASP~? 1000.00 E 193 GLY A 14 GLY.? 1000.00 E 195 SER A 16 SER.? 1000.00 coo 11.39 26.86 25.95 9.85 26.64 27.36 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo 10.90 32.83 25.96 10.83 30.68 25.98 29.74 -27.57 -15.65 30.35 -27.04 -13.70 coo 4.57 20.60 30.29 4.74 21.36 30.66 31.16 -16.49 -26.28 31.87 -16.86 -25.96 coo 5.68 25.88 28.95 8.05 25.40 29.05 29.28 -18.48 -20.76 27.76 -20.30 -20.33 ULMN 4 1ds2_c01 PROTEINASE B (SGPB user 2 4 # 2 E 57 HIS B 21 HIS^? 1000.00 E 102 ASP B 19 ASP^? 1000.00 E 193 GLY B 14 GLY^? 1000.00 E 195 SER B 16 SER^? 1000.00 coo 11.39 26.86 25.95 9.85 26.64 27.36 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo 10.90 32.83 25.96 10.83 30.68 25.98 8.97 -39.53 -93.90 8.21 -39.80 -95.86 coo 4.57 20.60 30.29 4.74 21.36 30.66 -1.32 -35.21 -83.27 -1.35 -36.02 -83.59 coo 5.68 25.88 28.95 8.05 25.40 29.05 1.34 -34.60 -88.79 3.68 -34.16 -89.21 1ds2_c01 source 1ds2 PROTEINASE B (SGPB : 2 hits 1ds2_c01 naa= 4 ULMN 4 1eix_c04 OROTIDINE 5'-MONOPHOSPHATE DECARBOXYuser 1 4 # 1 A 44 LYS A 11 LYS.? 1000.00 A 71 ASP A 13 ASP.? 1000.00 A 73 LYS A 23 LYS.? 1000.00 A 76 ASP A 18 ASP~? 1000.00 coo 19.59 28.23 101.92 19.95 24.94 105.61 35.58 -20.94 -33.59 38.95 -22.16 -38.38 coo 23.19 26.70 106.03 22.83 25.75 107.86 35.39 -17.87 -27.45 36.78 -19.31 -28.08 coo 27.86 26.05 110.45 22.68 24.67 109.97 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 36.95 24.59 112.32 38.04 22.87 111.77 26.87 -23.27 -16.72 26.31 -23.96 -18.62 ULMN 4 1eix_c04 OROTIDINE 5'-MONOPHOSPHATE DECARBOXYuser 2 4 # 2 A 44 LYS A 11 LYS.? 1000.00 A 71 ASP A 13 ASP.? 1000.00 A 73 LYS A 23 LYS.? 1000.00 A 76 ASP A 19 ASP~? 1000.00 coo 19.59 28.23 101.92 19.95 24.94 105.61 35.58 -20.94 -33.59 38.95 -22.16 -38.38 coo 23.19 26.70 106.03 22.83 25.75 107.86 35.39 -17.87 -27.45 36.78 -19.31 -28.08 coo 27.86 26.05 110.45 22.68 24.67 109.97 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 36.95 24.59 112.32 38.04 22.87 111.77 29.74 -27.57 -15.65 30.35 -27.04 -13.70 ULMN 4 1eix_c04 OROTIDINE 5'-MONOPHOSPHATE DECARBOXYuser 3 4 # 3 A 44 LYS B 11 LYS^? 1000.00 A 71 ASP B 13 ASP^? 1000.00 A 73 LYS B 23 LYS^? 1000.00 A 76 ASP B 18 ASP^? 1000.00 coo 19.59 28.23 101.92 19.95 24.94 105.61 0.33 -41.28 -75.95 -0.30 -44.81 -71.18 coo 23.19 26.70 106.03 22.83 25.75 107.86 -2.24 -39.57 -82.10 -1.69 -41.51 -81.47 coo 27.86 26.05 110.45 22.68 24.67 109.97 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 36.95 24.59 112.32 38.04 22.87 111.77 6.68 -34.89 -92.82 7.57 -34.75 -90.92 ULMN 4 1eix_c04 OROTIDINE 5'-MONOPHOSPHATE DECARBOXYuser 4 4 # 4 A 44 LYS B 11 LYS^? 1000.00 A 71 ASP B 13 ASP^? 1000.00 A 73 LYS B 23 LYS^? 1000.00 A 76 ASP B 19 ASP^? 1000.00 coo 19.59 28.23 101.92 19.95 24.94 105.61 0.33 -41.28 -75.95 -0.30 -44.81 -71.18 coo 23.19 26.70 106.03 22.83 25.75 107.86 -2.24 -39.57 -82.10 -1.69 -41.51 -81.47 coo 27.86 26.05 110.45 22.68 24.67 109.97 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 36.95 24.59 112.32 38.04 22.87 111.77 8.97 -39.53 -93.90 8.21 -39.80 -95.86 1eix_c04 source 1eix OROTIDINE 5'-MONOPHOSPHATE DECARBOXYLASE : 4 hits 1eix_c04 naa= 4 ULMN 4 1eix_c05 OROTIDINE 5'-MONOPHOSPHATE DECARBOXYuser 1 4 # 1 B 44 LYS A 11 LYS.? 1000.00 B 71 ASP A 13 ASP.? 1000.00 B 73 LYS A 23 LYS.? 1000.00 B 76 ASP A 18 ASP~? 1000.00 coo 42.51 16.13 104.66 41.59 19.58 107.89 35.58 -20.94 -33.59 38.95 -22.16 -38.38 coo 38.06 17.61 107.95 37.94 18.87 109.63 35.39 -17.87 -27.45 36.78 -19.31 -28.08 coo 32.65 18.53 110.98 37.67 20.13 111.67 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 23.32 19.98 111.00 22.38 21.72 110.29 26.87 -23.27 -16.72 26.31 -23.96 -18.62 ULMN 4 1eix_c05 OROTIDINE 5'-MONOPHOSPHATE DECARBOXYuser 2 4 # 2 B 44 LYS A 11 LYS.? 1000.00 B 71 ASP A 13 ASP.? 1000.00 B 73 LYS A 23 LYS.? 1000.00 B 76 ASP A 19 ASP~? 1000.00 coo 42.51 16.13 104.66 41.59 19.58 107.89 35.58 -20.94 -33.59 38.95 -22.16 -38.38 coo 38.06 17.61 107.95 37.94 18.87 109.63 35.39 -17.87 -27.45 36.78 -19.31 -28.08 coo 32.65 18.53 110.98 37.67 20.13 111.67 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 23.32 19.98 111.00 22.38 21.72 110.29 29.74 -27.57 -15.65 30.35 -27.04 -13.70 ULMN 4 1eix_c05 OROTIDINE 5'-MONOPHOSPHATE DECARBOXYuser 3 4 # 3 B 44 LYS B 11 LYS^? 1000.00 B 71 ASP B 13 ASP^? 1000.00 B 73 LYS B 23 LYS^? 1000.00 B 76 ASP B 18 ASP^? 1000.00 coo 42.51 16.13 104.66 41.59 19.58 107.89 0.33 -41.28 -75.95 -0.30 -44.81 -71.18 coo 38.06 17.61 107.95 37.94 18.87 109.63 -2.24 -39.57 -82.10 -1.69 -41.51 -81.47 coo 32.65 18.53 110.98 37.67 20.13 111.67 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 23.32 19.98 111.00 22.38 21.72 110.29 6.68 -34.89 -92.82 7.57 -34.75 -90.92 ULMN 4 1eix_c05 OROTIDINE 5'-MONOPHOSPHATE DECARBOXYuser 4 4 # 4 B 44 LYS B 11 LYS^? 1000.00 B 71 ASP B 13 ASP^? 1000.00 B 73 LYS B 23 LYS^? 1000.00 B 76 ASP B 19 ASP^? 1000.00 coo 42.51 16.13 104.66 41.59 19.58 107.89 0.33 -41.28 -75.95 -0.30 -44.81 -71.18 coo 38.06 17.61 107.95 37.94 18.87 109.63 -2.24 -39.57 -82.10 -1.69 -41.51 -81.47 coo 32.65 18.53 110.98 37.67 20.13 111.67 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 23.32 19.98 111.00 22.38 21.72 110.29 8.97 -39.53 -93.90 8.21 -39.80 -95.86 1eix_c05 source 1eix OROTIDINE 5'-MONOPHOSPHATE DECARBOXYLASE : 4 hits 1eix_c05 naa= 4 ULMN 4 1eix_c06 OROTIDINE 5'-MONOPHOSPHATE DECARBOXYuser 1 4 # 1 C 44 LYS A 11 LYS.? 1000.00 C 71 ASP A 13 ASP.? 1000.00 C 73 LYS A 23 LYS.? 1000.00 C 76 ASP A 18 ASP~? 1000.00 coo 36.80 44.62 62.45 37.50 45.99 67.26 35.58 -20.94 -33.59 38.95 -22.16 -38.38 coo 41.24 46.44 65.36 41.30 47.43 67.22 35.39 -17.87 -27.45 36.78 -19.31 -28.08 coo 46.67 48.87 67.69 41.63 48.86 69.39 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 56.00 48.26 68.98 57.09 46.84 70.05 26.87 -23.27 -16.72 26.31 -23.96 -18.62 ULMN 4 1eix_c06 OROTIDINE 5'-MONOPHOSPHATE DECARBOXYuser 2 4 # 2 C 44 LYS A 11 LYS.? 1000.00 C 71 ASP A 13 ASP.? 1000.00 C 73 LYS A 23 LYS.? 1000.00 C 76 ASP A 19 ASP~? 1000.00 coo 36.80 44.62 62.45 37.50 45.99 67.26 35.58 -20.94 -33.59 38.95 -22.16 -38.38 coo 41.24 46.44 65.36 41.30 47.43 67.22 35.39 -17.87 -27.45 36.78 -19.31 -28.08 coo 46.67 48.87 67.69 41.63 48.86 69.39 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 56.00 48.26 68.98 57.09 46.84 70.05 29.74 -27.57 -15.65 30.35 -27.04 -13.70 ULMN 4 1eix_c06 OROTIDINE 5'-MONOPHOSPHATE DECARBOXYuser 3 4 # 3 C 44 LYS B 11 LYS^? 1000.00 C 71 ASP B 13 ASP^? 1000.00 C 73 LYS B 23 LYS^? 1000.00 C 76 ASP B 18 ASP^? 1000.00 coo 36.80 44.62 62.45 37.50 45.99 67.26 0.33 -41.28 -75.95 -0.30 -44.81 -71.18 coo 41.24 46.44 65.36 41.30 47.43 67.22 -2.24 -39.57 -82.10 -1.69 -41.51 -81.47 coo 46.67 48.87 67.69 41.63 48.86 69.39 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 56.00 48.26 68.98 57.09 46.84 70.05 6.68 -34.89 -92.82 7.57 -34.75 -90.92 ULMN 4 1eix_c06 OROTIDINE 5'-MONOPHOSPHATE DECARBOXYuser 4 4 # 4 C 44 LYS B 11 LYS^? 1000.00 C 71 ASP B 13 ASP^? 1000.00 C 73 LYS B 23 LYS^? 1000.00 C 76 ASP B 19 ASP^? 1000.00 coo 36.80 44.62 62.45 37.50 45.99 67.26 0.33 -41.28 -75.95 -0.30 -44.81 -71.18 coo 41.24 46.44 65.36 41.30 47.43 67.22 -2.24 -39.57 -82.10 -1.69 -41.51 -81.47 coo 46.67 48.87 67.69 41.63 48.86 69.39 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 56.00 48.26 68.98 57.09 46.84 70.05 8.97 -39.53 -93.90 8.21 -39.80 -95.86 1eix_c06 source 1eix OROTIDINE 5'-MONOPHOSPHATE DECARBOXYLASE : 4 hits 1eix_c06 naa= 4 ULMN 4 1eix_c07 OROTIDINE 5'-MONOPHOSPHATE DECARBOXYuser 1 4 # 1 D 44 LYS A 11 LYS.? 1000.00 D 71 ASP A 13 ASP.? 1000.00 D 73 LYS A 23 LYS.? 1000.00 D 76 ASP A 18 ASP~? 1000.00 coo 59.78 36.42 71.82 59.95 40.97 70.58 35.58 -20.94 -33.59 38.95 -22.16 -38.38 coo 56.16 40.71 72.48 56.48 42.77 72.42 35.39 -17.87 -27.45 36.78 -19.31 -28.08 coo 51.52 44.76 73.92 56.76 45.26 72.14 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 42.33 47.14 73.59 41.23 47.55 71.88 26.87 -23.27 -16.72 26.31 -23.96 -18.62 ULMN 4 1eix_c07 OROTIDINE 5'-MONOPHOSPHATE DECARBOXYuser 2 4 # 2 D 44 LYS A 11 LYS.? 1000.00 D 71 ASP A 13 ASP.? 1000.00 D 73 LYS A 23 LYS.? 1000.00 D 76 ASP A 19 ASP~? 1000.00 coo 59.78 36.42 71.82 59.95 40.97 70.58 35.58 -20.94 -33.59 38.95 -22.16 -38.38 coo 56.16 40.71 72.48 56.48 42.77 72.42 35.39 -17.87 -27.45 36.78 -19.31 -28.08 coo 51.52 44.76 73.92 56.76 45.26 72.14 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 42.33 47.14 73.59 41.23 47.55 71.88 29.74 -27.57 -15.65 30.35 -27.04 -13.70 ULMN 4 1eix_c07 OROTIDINE 5'-MONOPHOSPHATE DECARBOXYuser 3 4 # 3 D 44 LYS B 11 LYS^? 1000.00 D 71 ASP B 13 ASP^? 1000.00 D 73 LYS B 23 LYS^? 1000.00 D 76 ASP B 18 ASP^? 1000.00 coo 59.78 36.42 71.82 59.95 40.97 70.58 0.33 -41.28 -75.95 -0.30 -44.81 -71.18 coo 56.16 40.71 72.48 56.48 42.77 72.42 -2.24 -39.57 -82.10 -1.69 -41.51 -81.47 coo 51.52 44.76 73.92 56.76 45.26 72.14 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 42.33 47.14 73.59 41.23 47.55 71.88 6.68 -34.89 -92.82 7.57 -34.75 -90.92 ULMN 4 1eix_c07 OROTIDINE 5'-MONOPHOSPHATE DECARBOXYuser 4 4 # 4 D 44 LYS B 11 LYS^? 1000.00 D 71 ASP B 13 ASP^? 1000.00 D 73 LYS B 23 LYS^? 1000.00 D 76 ASP B 19 ASP^? 1000.00 coo 59.78 36.42 71.82 59.95 40.97 70.58 0.33 -41.28 -75.95 -0.30 -44.81 -71.18 coo 56.16 40.71 72.48 56.48 42.77 72.42 -2.24 -39.57 -82.10 -1.69 -41.51 -81.47 coo 51.52 44.76 73.92 56.76 45.26 72.14 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 42.33 47.14 73.59 41.23 47.55 71.88 8.97 -39.53 -93.90 8.21 -39.80 -95.86 1eix_c07 source 1eix OROTIDINE 5'-MONOPHOSPHATE DECARBOXYLASE : 4 hits 1eix_c07 naa= 4 ULMN 4 1els_c01 ENOLASE (E.C.4.2.1.11) (2-PHOSPHO-D-user 1 4 # 1 168 GLU A 84 GLU^? 1000.00 211 GLU A 86 GLU^? 1000.00 345 LYS A 23 LYS.? 1000.00 373 HIS A 21 HIS~? 1000.00 coo 93.43 51.01 30.24 95.07 49.77 29.67 25.54 -27.52 -32.09 27.26 -28.36 -31.17 coo 91.65 44.62 30.04 93.01 45.95 29.66 21.78 -27.43 -25.47 23.65 -28.43 -25.48 coo 103.59 43.46 23.85 98.61 47.18 23.58 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 97.00 42.72 29.81 95.87 44.35 30.62 26.02 -25.01 -22.11 24.46 -26.35 -22.53 ULMN 4 1els_c01 ENOLASE (E.C.4.2.1.11) (2-PHOSPHO-D-user 2 4 # 2 168 GLU B 84 GLU^? 1000.00 211 GLU B 86 GLU^? 1000.00 345 LYS B 23 LYS^? 1000.00 373 HIS B 21 HIS^? 1000.00 coo 93.43 51.01 30.24 95.07 49.77 29.67 11.05 -35.89 -77.46 10.93 -37.79 -78.39 coo 91.65 44.62 30.04 93.01 45.95 29.66 12.86 -32.58 -84.08 12.77 -34.69 -84.08 coo 103.59 43.46 23.85 98.61 47.18 23.58 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 97.00 42.72 29.81 95.87 44.35 30.62 8.62 -35.03 -87.45 10.56 -34.35 -87.03 1els_c01 source 1els ENOLASE (E.C.4.2.1.11) (2-PHOSPHO-D-GLYCERATE : 2 hits 1els_c01 naa= 4 ULMN 4 1f6d_c00 UDP-N-ACETYLGLUCOSAMINE 2-EPIMERASE user 1 4 # 1 A 95 ASP A 64 ASP^? 1000.00 A 117 GLU A 124 GLU^? 1000.00 A 131 GLU A 15 GLU.? 1000.00 A 213 HIS A 21 HIS~? 1000.00 coo 46.83 58.85 1.64 47.10 59.61 -0.35 29.43 -11.47 -24.77 28.22 -12.20 -26.29 coo 53.79 54.48 -1.23 52.45 55.58 -2.50 24.17 -8.38 -29.24 26.07 -8.88 -30.07 coo 44.71 62.22 -0.37 43.17 63.49 -1.03 31.83 -13.52 -21.46 31.81 -11.49 -22.03 coo 48.73 68.19 -10.10 50.09 67.84 -8.53 26.02 -25.01 -22.11 24.46 -26.35 -22.53 ULMN 4 1f6d_c00 UDP-N-ACETYLGLUCOSAMINE 2-EPIMERASE user 2 4 # 2 A 95 ASP B 64 ASP^? 1000.00 A 117 GLU B 124 GLU^? 1000.00 A 131 GLU B 15 GLU^? 1000.00 A 213 HIS B 21 HIS^? 1000.00 coo 46.83 58.85 1.64 47.10 59.61 -0.35 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 coo 53.79 54.48 -1.23 52.45 55.58 -2.50 -4.84 -25.10 -80.31 -5.35 -27.01 -79.49 coo 44.71 62.22 -0.37 43.17 63.49 -1.03 -4.24 -34.31 -88.08 -5.97 -33.27 -87.50 coo 48.73 68.19 -10.10 50.09 67.84 -8.53 8.62 -35.03 -87.45 10.56 -34.35 -87.03 1f6d_c00 source 1f6d UDP-N-ACETYLGLUCOSAMINE 2-EPIMERASE : 2 hits 1f6d_c00 naa= 4 ULMN 4 1f6d_c03 UDP-N-ACETYLGLUCOSAMINE 2-EPIMERASE user 1 4 # 1 D 95 ASP A 64 ASP^? 1000.00 D 117 GLU A 124 GLU^? 1000.00 D 131 GLU A 15 GLU.? 1000.00 D 213 HIS A 21 HIS~? 1000.00 coo 60.45 59.04 95.56 60.08 59.57 97.62 29.43 -11.47 -24.77 28.22 -12.20 -26.29 coo 53.51 54.68 98.43 54.65 55.64 99.96 24.17 -8.38 -29.24 26.07 -8.88 -30.07 coo 62.34 62.21 97.48 63.80 63.61 98.07 31.83 -13.52 -21.46 31.81 -11.49 -22.03 coo 57.94 68.02 108.20 56.70 67.43 106.62 26.02 -25.01 -22.11 24.46 -26.35 -22.53 ULMN 4 1f6d_c03 UDP-N-ACETYLGLUCOSAMINE 2-EPIMERASE user 2 4 # 2 D 95 ASP B 64 ASP^? 1000.00 D 117 GLU B 124 GLU^? 1000.00 D 131 GLU B 15 GLU^? 1000.00 D 213 HIS B 21 HIS^? 1000.00 coo 60.45 59.04 95.56 60.08 59.57 97.62 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 coo 53.51 54.68 98.43 54.65 55.64 99.96 -4.84 -25.10 -80.31 -5.35 -27.01 -79.49 coo 62.34 62.21 97.48 63.80 63.61 98.07 -4.24 -34.31 -88.08 -5.97 -33.27 -87.50 coo 57.94 68.02 108.20 56.70 67.43 106.62 8.62 -35.03 -87.45 10.56 -34.35 -87.03 1f6d_c03 source 1f6d UDP-N-ACETYLGLUCOSAMINE 2-EPIMERASE : 2 hits 1f6d_c03 naa= 4 ULMN 4 1f8x_c00 NUCLEOSIDE 2-DEOXYRIBOSYLTRANSFERASEuser 1 4 # 1 A 7 TYR A 6 TYR^? 1000.00 A 72 ASP A 18 ASP~? 1000.00 A 92 ASP A 64 ASP^? 1000.00 A 98 GLU A 26 GLU^? 1000.00 coo 56.63 3.26 -21.57 57.90 0.91 -22.38 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo 61.98 -0.44 -23.69 61.13 -1.42 -25.38 26.87 -23.27 -16.72 26.31 -23.96 -18.62 coo 53.63 -9.21 -18.97 55.21 -8.90 -20.38 29.43 -11.47 -24.77 28.22 -12.20 -26.29 coo 58.86 -2.50 -18.61 57.78 -2.67 -20.39 25.58 -17.25 -21.04 25.74 -16.50 -19.06 ULMN 4 1f8x_c00 NUCLEOSIDE 2-DEOXYRIBOSYLTRANSFERASEuser 2 4 # 2 A 7 TYR B 6 TYR^? 1000.00 A 72 ASP B 18 ASP^? 1000.00 A 92 ASP B 64 ASP^? 1000.00 A 98 GLU B 26 GLU^? 1000.00 coo 56.63 3.26 -21.57 57.90 0.91 -22.38 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo 61.98 -0.44 -23.69 61.13 -1.42 -25.38 6.68 -34.89 -92.82 7.57 -34.75 -90.92 coo 53.63 -9.21 -18.97 55.21 -8.90 -20.38 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 coo 58.86 -2.50 -18.61 57.78 -2.67 -20.39 2.14 -30.76 -88.51 1.40 -30.52 -90.48 1f8x_c00 source 1f8x NUCLEOSIDE 2-DEOXYRIBOSYLTRANSFERASE : 2 hits 1f8x_c00 naa= 4 ULMN 4 1f8x_c01 NUCLEOSIDE 2-DEOXYRIBOSYLTRANSFERASEuser 1 4 # 1 B 207 TYR A 6 TYR^? 1000.00 B 272 ASP A 18 ASP~? 1000.00 B 292 ASP A 64 ASP^? 1000.00 B 298 GLU A 26 GLU^? 1000.00 coo 65.34 -9.96 -1.84 62.54 -9.98 -1.80 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo 59.10 -7.54 -0.32 58.10 -9.33 0.15 26.87 -23.27 -16.72 26.31 -23.96 -18.62 coo 57.21 -14.68 -11.04 55.94 -13.90 -9.53 29.43 -11.47 -24.77 28.22 -12.20 -26.29 coo 60.44 -8.22 -6.20 60.22 -10.11 -5.29 25.58 -17.25 -21.04 25.74 -16.50 -19.06 ULMN 4 1f8x_c01 NUCLEOSIDE 2-DEOXYRIBOSYLTRANSFERASEuser 2 4 # 2 B 207 TYR B 6 TYR^? 1000.00 B 272 ASP B 18 ASP^? 1000.00 B 292 ASP B 64 ASP^? 1000.00 B 298 GLU B 26 GLU^? 1000.00 coo 65.34 -9.96 -1.84 62.54 -9.98 -1.80 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo 59.10 -7.54 -0.32 58.10 -9.33 0.15 6.68 -34.89 -92.82 7.57 -34.75 -90.92 coo 57.21 -14.68 -11.04 55.94 -13.90 -9.53 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 coo 60.44 -8.22 -6.20 60.22 -10.11 -5.29 2.14 -30.76 -88.51 1.40 -30.52 -90.48 1f8x_c01 source 1f8x NUCLEOSIDE 2-DEOXYRIBOSYLTRANSFERASE : 2 hits 1f8x_c01 naa= 4 ULMN 4 1jxa_c01 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 1 4 # 1 A 481 GLU A 26 GLU^? 1000.00 A 485 LYS A 61 LYS^? 1000.00 A 488 GLU A 124 GLU^? 1000.00 A 603 LYS A 69 LYS^? 1000.00 coo -7.79 3.39 10.29 -9.01 4.74 9.32 25.58 -17.25 -21.04 25.74 -16.50 -19.06 coo -9.44 10.08 8.58 -11.94 6.98 8.10 21.64 -11.48 -26.11 26.63 -11.26 -28.52 coo -13.30 11.40 4.76 -13.95 9.40 5.16 24.17 -8.38 -29.24 26.07 -8.88 -30.07 coo -21.26 6.97 3.81 -20.43 4.23 9.21 32.90 -11.51 -34.53 36.58 -11.70 -35.14 ULMN 4 1jxa_c01 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 2 4 # 2 A 481 GLU B 26 GLU^? 1000.00 A 485 LYS B 61 LYS^? 1000.00 A 488 GLU B 124 GLU^? 1000.00 A 603 LYS B 69 LYS^? 1000.00 coo -7.79 3.39 10.29 -9.01 4.74 9.32 2.14 -30.76 -88.51 1.40 -30.52 -90.48 coo -9.44 10.08 8.58 -11.94 6.98 8.10 -0.89 -24.47 -83.43 -3.57 -28.69 -81.00 coo -13.30 11.40 4.76 -13.95 9.40 5.16 -4.84 -25.10 -80.31 -5.35 -27.01 -79.49 coo -21.26 6.97 3.81 -20.43 4.23 9.21 -6.51 -34.23 -75.02 -8.20 -37.51 -74.40 1jxa_c01 source 1jxa GLUCOSAMINE 6-PHOSPHATE SYNTHASE : 2 hits 1jxa_c01 naa= 4 ULMN 4 1nlu_c00 PSEUDO-IODOTYROSTATIN user 1 4 # 1 A 80 GLU A 15 GLU.? 1000.00 A 84 ASP A 64 ASP^? 1000.00 A 170 ASP A 18 ASP~? 1000.00 A 287 SER A 16 SER.? 1000.00 coo 23.89 18.61 12.79 25.29 17.35 13.81 31.83 -13.52 -21.46 31.81 -11.49 -22.03 coo 27.00 22.87 14.47 26.64 20.92 13.76 29.43 -11.47 -24.77 28.22 -12.20 -26.29 coo 27.92 8.51 14.90 28.11 10.58 15.35 26.87 -23.27 -16.72 26.31 -23.96 -18.62 coo 29.00 16.00 15.34 27.04 15.11 14.25 29.28 -18.48 -20.76 27.76 -20.30 -20.33 ULMN 4 1nlu_c00 PSEUDO-IODOTYROSTATIN user 2 4 # 2 A 80 GLU B 15 GLU^? 1000.00 A 84 ASP B 64 ASP^? 1000.00 A 170 ASP B 18 ASP^? 1000.00 A 287 SER B 16 SER^? 1000.00 coo 23.89 18.61 12.79 25.29 17.35 13.81 -4.24 -34.31 -88.08 -5.97 -33.27 -87.50 coo 27.00 22.87 14.47 26.64 20.92 13.76 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 coo 27.92 8.51 14.90 28.11 10.58 15.35 6.68 -34.89 -92.82 7.57 -34.75 -90.92 coo 29.00 16.00 15.34 27.04 15.11 14.25 1.34 -34.60 -88.79 3.68 -34.16 -89.21 1nlu_c00 source 1nlu PSEUDO-IODOTYROSTATIN : 2 hits 1nlu_c00 naa= 4 ULMN 4 1pix_c02 GLUTACONYL-COA DECARBOXYLASE A SUBUNuser 1 4 # 1 A 457 ALA A 106 ALA^? 1000.00 A 458 ALA A 129 ALA^? 1000.00 B 193 ALA A 73 ALA^? 1000.00 B 194 GLY A 77 GLY^? 1000.00 coo 43.27 124.32 20.47 43.79 125.29 21.53 25.41 -17.27 -41.77 25.21 -16.85 -43.22 coo 39.57 123.53 20.89 38.42 124.25 20.20 20.37 -17.76 -41.89 20.56 -16.96 -43.16 coo 47.95 129.15 20.31 47.81 128.95 18.79 30.28 -11.98 -39.72 29.66 -13.00 -38.79 coo 50.40 126.23 20.48 50.46 127.00 20.75 28.91 -12.91 -45.22 29.59 -13.00 -44.75 ULMN 4 1pix_c02 GLUTACONYL-COA DECARBOXYLASE A SUBUNuser 2 4 # 2 A 457 ALA A 106 ALA^? 1000.00 A 458 ALA A 129 ALA^? 1000.00 B 193 ALA A 74 ALA^? 1000.00 B 194 GLY A 77 GLY^? 1000.00 coo 43.27 124.32 20.47 43.79 125.29 21.53 25.41 -17.27 -41.77 25.21 -16.85 -43.22 coo 39.57 123.53 20.89 38.42 124.25 20.20 20.37 -17.76 -41.89 20.56 -16.96 -43.16 coo 47.95 129.15 20.31 47.81 128.95 18.79 27.38 -9.84 -40.88 26.76 -8.70 -40.11 coo 50.40 126.23 20.48 50.46 127.00 20.75 28.91 -12.91 -45.22 29.59 -13.00 -44.75 ULMN 4 1pix_c02 GLUTACONYL-COA DECARBOXYLASE A SUBUNuser 3 4 # 3 A 457 ALA B 106 ALA^? 1000.00 A 458 ALA B 129 ALA^? 1000.00 B 193 ALA B 73 ALA^? 1000.00 B 194 GLY B 77 GLY^? 1000.00 coo 43.27 124.32 20.47 43.79 125.29 21.53 2.25 -30.64 -67.78 1.99 -30.27 -66.32 coo 39.57 123.53 20.89 38.42 124.25 20.20 5.20 -26.52 -67.65 4.41 -26.26 -66.40 coo 47.95 129.15 20.31 47.81 128.95 18.79 -4.78 -32.21 -69.82 -3.58 -32.19 -70.74 coo 50.40 126.23 20.48 50.46 127.00 20.75 -3.28 -31.48 -64.33 -3.54 -32.11 -64.80 ULMN 4 1pix_c02 GLUTACONYL-COA DECARBOXYLASE A SUBUNuser 4 4 # 4 A 457 ALA B 106 ALA^? 1000.00 A 458 ALA B 129 ALA^? 1000.00 B 193 ALA B 74 ALA^? 1000.00 B 194 GLY B 77 GLY^? 1000.00 coo 43.27 124.32 20.47 43.79 125.29 21.53 2.25 -30.64 -67.78 1.99 -30.27 -66.32 coo 39.57 123.53 20.89 38.42 124.25 20.20 5.20 -26.52 -67.65 4.41 -26.26 -66.40 coo 47.95 129.15 20.31 47.81 128.95 18.79 -5.18 -28.61 -68.66 -5.86 -27.52 -69.44 coo 50.40 126.23 20.48 50.46 127.00 20.75 -3.28 -31.48 -64.33 -3.54 -32.11 -64.80 1pix_c02 source 1pix GLUTACONYL-COA DECARBOXYLASE A SUBUNIT : 4 hits 1pix_c02 naa= 4 ULMN 4 1pix_c03 GLUTACONYL-COA DECARBOXYLASE A SUBUNuser 1 4 # 1 A 193 ALA A 73 ALA^? 1000.00 A 194 GLY A 77 GLY^? 1000.00 B 457 ALA A 106 ALA^? 1000.00 B 458 ALA A 129 ALA^? 1000.00 coo 61.89 87.20 13.50 62.59 88.00 12.38 30.28 -11.98 -39.72 29.66 -13.00 -38.79 coo 59.34 89.99 13.88 59.24 89.18 13.73 28.91 -12.91 -45.22 29.59 -13.00 -44.75 coo 65.50 91.13 17.77 64.65 89.88 18.00 25.41 -17.27 -41.77 25.21 -16.85 -43.22 coo 68.56 91.15 20.03 69.95 90.68 19.64 20.37 -17.76 -41.89 20.56 -16.96 -43.16 ULMN 4 1pix_c03 GLUTACONYL-COA DECARBOXYLASE A SUBUNuser 2 4 # 2 A 193 ALA A 74 ALA^? 1000.00 A 194 GLY A 77 GLY^? 1000.00 B 457 ALA A 106 ALA^? 1000.00 B 458 ALA A 129 ALA^? 1000.00 coo 61.89 87.20 13.50 62.59 88.00 12.38 27.38 -9.84 -40.88 26.76 -8.70 -40.11 coo 59.34 89.99 13.88 59.24 89.18 13.73 28.91 -12.91 -45.22 29.59 -13.00 -44.75 coo 65.50 91.13 17.77 64.65 89.88 18.00 25.41 -17.27 -41.77 25.21 -16.85 -43.22 coo 68.56 91.15 20.03 69.95 90.68 19.64 20.37 -17.76 -41.89 20.56 -16.96 -43.16 ULMN 4 1pix_c03 GLUTACONYL-COA DECARBOXYLASE A SUBUNuser 3 4 # 3 A 193 ALA B 73 ALA^? 1000.00 A 194 GLY B 77 GLY^? 1000.00 B 457 ALA B 106 ALA^? 1000.00 B 458 ALA B 129 ALA^? 1000.00 coo 61.89 87.20 13.50 62.59 88.00 12.38 -4.78 -32.21 -69.82 -3.58 -32.19 -70.74 coo 59.34 89.99 13.88 59.24 89.18 13.73 -3.28 -31.48 -64.33 -3.54 -32.11 -64.80 coo 65.50 91.13 17.77 64.65 89.88 18.00 2.25 -30.64 -67.78 1.99 -30.27 -66.32 coo 68.56 91.15 20.03 69.95 90.68 19.64 5.20 -26.52 -67.65 4.41 -26.26 -66.40 ULMN 4 1pix_c03 GLUTACONYL-COA DECARBOXYLASE A SUBUNuser 4 4 # 4 A 193 ALA B 74 ALA^? 1000.00 A 194 GLY B 77 GLY^? 1000.00 B 457 ALA B 106 ALA^? 1000.00 B 458 ALA B 129 ALA^? 1000.00 coo 61.89 87.20 13.50 62.59 88.00 12.38 -5.18 -28.61 -68.66 -5.86 -27.52 -69.44 coo 59.34 89.99 13.88 59.24 89.18 13.73 -3.28 -31.48 -64.33 -3.54 -32.11 -64.80 coo 65.50 91.13 17.77 64.65 89.88 18.00 2.25 -30.64 -67.78 1.99 -30.27 -66.32 coo 68.56 91.15 20.03 69.95 90.68 19.64 5.20 -26.52 -67.65 4.41 -26.26 -66.40 1pix_c03 source 1pix GLUTACONYL-COA DECARBOXYLASE A SUBUNIT : 4 hits 1pix_c03 naa= 4 ULMN 4 1pjb_c00 L-ALANINE DEHYDROGENASE user 1 4 # 1 A 74 LYS A 8 LYS^? 1000.00 A 95 HIS A 21 HIS~? 1000.00 A 117 GLU A 86 GLU^? 1000.00 A 269 ASP A 19 ASP~? 1000.00 coo 8.15 32.64 23.74 10.45 29.09 22.22 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 13.22 26.82 27.06 12.30 25.69 25.54 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo 9.91 23.87 29.04 9.51 25.99 29.30 21.78 -27.43 -25.47 23.65 -28.43 -25.48 coo 19.03 25.15 20.47 17.35 23.93 20.93 29.74 -27.57 -15.65 30.35 -27.04 -13.70 ULMN 4 1pjb_c00 L-ALANINE DEHYDROGENASE user 2 4 # 2 A 74 LYS B 8 LYS^? 1000.00 A 95 HIS B 21 HIS^? 1000.00 A 117 GLU B 86 GLU^? 1000.00 A 269 ASP B 19 ASP^? 1000.00 coo 8.15 32.64 23.74 10.45 29.09 22.22 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 13.22 26.82 27.06 12.30 25.69 25.54 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo 9.91 23.87 29.04 9.51 25.99 29.30 12.86 -32.58 -84.08 12.77 -34.69 -84.08 coo 19.03 25.15 20.47 17.35 23.93 20.93 8.97 -39.53 -93.90 8.21 -39.80 -95.86 1pjb_c00 source 1pjb L-ALANINE DEHYDROGENASE : 2 hits 1pjb_c00 naa= 4 ULMN 4 1qrr_c00 SULFOLIPID BIOSYNTHESIS (SQD1) PROTEuser 1 4 # 1 A 145 THR A 17 THR.? 1000.00 A 182 TYR A 6 TYR^? 1000.00 A 183 HIS A 21 HIS~? 1000.00 A 186 LYS A 22 LYS~? 1000.00 coo 69.38 87.38 24.64 71.11 88.47 25.40 30.54 -20.11 -17.59 31.12 -18.60 -16.20 coo 73.61 90.42 31.12 71.36 89.66 29.64 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo 74.92 90.96 26.60 73.71 92.67 26.46 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo 73.54 84.00 28.64 69.01 86.68 29.71 31.99 -23.27 -21.33 35.03 -27.43 -17.58 ULMN 4 1qrr_c00 SULFOLIPID BIOSYNTHESIS (SQD1) PROTEuser 2 4 # 2 A 145 THR B 17 THR^? 1000.00 A 182 TYR B 6 TYR^? 1000.00 A 183 HIS B 21 HIS^? 1000.00 A 186 LYS B 22 LYS^? 1000.00 coo 69.38 87.38 24.64 71.11 88.47 25.40 2.13 -36.50 -91.95 0.52 -36.25 -93.35 coo 73.61 90.42 31.12 71.36 89.66 29.64 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo 74.92 90.96 26.60 73.71 92.67 26.46 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo 73.54 84.00 28.64 69.01 86.68 29.71 4.13 -39.33 -88.23 6.19 -44.05 -91.97 1qrr_c00 source 1qrr SULFOLIPID BIOSYNTHESIS (SQD1) PROTEIN : 2 hits 1qrr_c00 naa= 4 ULMN 4 1rgq_c00 NS4A PEPTIDE user 1 4 # 1 A 60 HIS A 21 HIS~? 1000.00 A 84 ASP A 19 ASP~? 1000.00 A 140 GLY A 14 GLY.? 1000.00 A 142 SER A 16 SER.? 1000.00 coo -11.57 56.27 -2.56 -10.65 55.84 -4.39 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo -6.31 55.84 0.20 -8.34 56.18 -0.37 29.74 -27.57 -15.65 30.35 -27.04 -13.70 coo -14.76 51.65 -11.32 -14.03 51.78 -11.65 31.16 -16.49 -26.28 31.87 -16.86 -25.96 coo -9.99 51.54 -8.47 -9.82 53.92 -8.11 29.28 -18.48 -20.76 27.76 -20.30 -20.33 ULMN 4 1rgq_c00 NS4A PEPTIDE user 2 4 # 2 A 60 HIS B 21 HIS^? 1000.00 A 84 ASP B 19 ASP^? 1000.00 A 140 GLY B 14 GLY^? 1000.00 A 142 SER B 16 SER^? 1000.00 coo -11.57 56.27 -2.56 -10.65 55.84 -4.39 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo -6.31 55.84 0.20 -8.34 56.18 -0.37 8.97 -39.53 -93.90 8.21 -39.80 -95.86 coo -14.76 51.65 -11.32 -14.03 51.78 -11.65 -1.32 -35.21 -83.27 -1.35 -36.02 -83.59 coo -9.99 51.54 -8.47 -9.82 53.92 -8.11 1.34 -34.60 -88.79 3.68 -34.16 -89.21 1rgq_c00 source 1rgq NS4A PEPTIDE : 2 hits 1rgq_c00 naa= 4 ULMN 4 2amg_c04 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 1 4 # 1 193 ASP A 4 ASP^? 1000.00 219 GLU A 26 GLU^? 1000.00 221 TRP A 24 TRP.? 1000.00 294 ASP A 18 ASP~? 1000.00 coo 27.89 102.52 14.98 29.35 101.92 13.57 19.46 -21.33 -18.77 18.88 -20.63 -16.86 coo 25.84 105.87 9.06 27.86 105.55 8.74 25.58 -17.25 -21.04 25.74 -16.50 -19.06 coo 26.57 103.90 2.48 30.28 105.00 3.20 29.50 -23.82 -24.98 26.46 -25.33 -26.95 coo 33.16 106.80 7.72 33.34 104.87 6.92 26.87 -23.27 -16.72 26.31 -23.96 -18.62 ULMN 4 2amg_c04 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 2 4 # 2 193 ASP B 4 ASP^? 1000.00 219 GLU B 26 GLU^? 1000.00 221 TRP B 24 TRP^? 1000.00 294 ASP B 18 ASP^? 1000.00 coo 27.89 102.52 14.98 29.35 101.92 13.57 8.72 -27.52 -90.78 8.40 -26.67 -92.69 coo 25.84 105.87 9.06 27.86 105.55 8.74 2.14 -30.76 -88.51 1.40 -30.52 -90.48 coo 26.57 103.90 2.48 30.28 105.00 3.20 5.85 -37.46 -84.57 8.68 -35.58 -82.60 coo 33.16 106.80 7.72 33.34 104.87 6.92 6.68 -34.89 -92.82 7.57 -34.75 -90.92 2amg_c04 source 2amg 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLASE : 2 hits 2amg_c04 naa= 4 ULMN 4 2xis_c01 XYLOSE ISOMERASE (E.C.5.3.1.5) COMPLuser 1 4 # 1 54 HIS A 21 HIS~? 1000.00 57 ASP A 18 ASP~? 1000.00 181 GLU A 84 GLU^? 1000.00 183 LYS A 101 LYS^? 1000.00 coo 14.76 26.44 45.64 13.75 28.28 45.57 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo 13.28 22.33 42.65 12.61 24.09 43.52 26.87 -23.27 -16.72 26.31 -23.96 -18.62 coo 15.43 37.69 46.28 14.58 36.11 45.10 25.54 -27.52 -32.09 27.26 -28.36 -31.17 coo 11.94 40.77 50.56 7.67 36.15 49.76 21.27 -27.97 -34.76 23.33 -33.29 -31.87 ULMN 4 2xis_c01 XYLOSE ISOMERASE (E.C.5.3.1.5) COMPLuser 2 4 # 2 54 HIS B 21 HIS^? 1000.00 57 ASP B 18 ASP^? 1000.00 181 GLU B 84 GLU^? 1000.00 183 LYS B 101 LYS^? 1000.00 coo 14.76 26.44 45.64 13.75 28.28 45.57 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo 13.28 22.33 42.65 12.61 24.09 43.52 6.68 -34.89 -92.82 7.57 -34.75 -90.92 coo 15.43 37.69 46.28 14.58 36.11 45.10 11.05 -35.89 -77.46 10.93 -37.79 -78.39 coo 11.94 40.77 50.56 7.67 36.15 49.76 13.59 -32.41 -74.79 17.17 -36.84 -77.71 2xis_c01 source 2xis XYLOSE ISOMERASE (E.C.5.3.1.5) COMPLEX WITH XY: 2 hits 2xis_c01 naa= 4 ULMN 4 3eca_c04 ASPARAGINASE TYPE II user 1 4 # 1 A 283 GLU A 86 GLU^? 1000.00 C 12 THR A 5 THR^? 1000.00 C 25 TYR A 6 TYR^? 1000.00 C 89 THR A 89 THR^? 1000.00 coo 60.56 18.92 0.90 61.14 20.52 2.16 21.78 -27.43 -25.47 23.65 -28.43 -25.48 coo 55.95 25.18 2.21 55.69 23.16 3.11 19.47 -20.80 -23.49 17.87 -20.32 -24.84 coo 55.67 19.31 -0.41 56.70 20.51 1.90 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo 59.81 26.53 8.25 58.00 25.30 8.32 16.50 -26.80 -17.44 16.12 -28.90 -17.35 ULMN 4 3eca_c04 ASPARAGINASE TYPE II user 2 4 # 2 A 283 GLU B 86 GLU^? 1000.00 C 12 THR B 5 THR^? 1000.00 C 25 TYR B 6 TYR^? 1000.00 C 89 THR B 89 THR^? 1000.00 coo 60.56 18.92 0.90 61.14 20.52 2.16 12.86 -32.58 -84.08 12.77 -34.69 -84.08 coo 55.95 25.18 2.21 55.69 23.16 3.11 8.27 -27.26 -86.05 8.66 -25.65 -84.68 coo 55.67 19.31 -0.41 56.70 20.51 1.90 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo 59.81 26.53 8.25 58.00 25.30 8.32 14.94 -27.68 -92.11 16.94 -28.40 -92.22 3eca_c04 source 3eca ASPARAGINASE TYPE II : 2 hits 3eca_c04 naa= 4 ULMN 4 3eca_c05 ASPARAGINASE TYPE II user 1 4 # 1 B 283 GLU A 86 GLU^? 1000.00 D 12 THR A 5 THR^? 1000.00 D 25 TYR A 6 TYR^? 1000.00 D 89 THR A 89 THR^? 1000.00 coo 30.23 27.31 19.48 30.08 25.34 19.98 21.78 -27.43 -25.47 23.65 -28.43 -25.48 coo 32.19 21.46 15.06 33.45 23.05 16.00 19.47 -20.80 -23.49 17.87 -20.32 -24.84 coo 31.17 27.34 14.84 32.70 26.15 16.86 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo 35.78 18.11 20.94 36.76 19.54 19.61 16.50 -26.80 -17.44 16.12 -28.90 -17.35 ULMN 4 3eca_c05 ASPARAGINASE TYPE II user 2 4 # 2 B 283 GLU B 86 GLU^? 1000.00 D 12 THR B 5 THR^? 1000.00 D 25 TYR B 6 TYR^? 1000.00 D 89 THR B 89 THR^? 1000.00 coo 30.23 27.31 19.48 30.08 25.34 19.98 12.86 -32.58 -84.08 12.77 -34.69 -84.08 coo 32.19 21.46 15.06 33.45 23.05 16.00 8.27 -27.26 -86.05 8.66 -25.65 -84.68 coo 31.17 27.34 14.84 32.70 26.15 16.86 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo 35.78 18.11 20.94 36.76 19.54 19.61 14.94 -27.68 -92.11 16.94 -28.40 -92.22 3eca_c05 source 3eca ASPARAGINASE TYPE II : 2 hits 3eca_c05 naa= 4 ULMN 4 3eca_c06 ASPARAGINASE TYPE II user 1 4 # 1 A 12 THR A 5 THR^? 1000.00 A 25 TYR A 6 TYR^? 1000.00 A 89 THR A 89 THR^? 1000.00 C 283 GLU A 86 GLU^? 1000.00 coo 76.53 15.20 38.92 75.75 17.07 38.27 19.47 -20.80 -23.49 17.87 -20.32 -24.84 coo 78.55 20.90 39.91 77.09 20.09 37.68 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo 72.66 13.38 32.85 71.79 14.81 34.24 16.50 -26.80 -17.44 16.12 -28.90 -17.35 coo 79.85 20.73 35.44 79.36 18.97 34.45 21.78 -27.43 -25.47 23.65 -28.43 -25.48 ULMN 4 3eca_c06 ASPARAGINASE TYPE II user 2 4 # 2 A 12 THR B 5 THR^? 1000.00 A 25 TYR B 6 TYR^? 1000.00 A 89 THR B 89 THR^? 1000.00 C 283 GLU B 86 GLU^? 1000.00 coo 76.53 15.20 38.92 75.75 17.07 38.27 8.27 -27.26 -86.05 8.66 -25.65 -84.68 coo 78.55 20.90 39.91 77.09 20.09 37.68 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo 72.66 13.38 32.85 71.79 14.81 34.24 14.94 -27.68 -92.11 16.94 -28.40 -92.22 coo 79.85 20.73 35.44 79.36 18.97 34.45 12.86 -32.58 -84.08 12.77 -34.69 -84.08 3eca_c06 source 3eca ASPARAGINASE TYPE II : 2 hits 3eca_c06 naa= 4 ULMN 4 3eca_c07 ASPARAGINASE TYPE II user 1 4 # 1 B 12 THR A 5 THR^? 1000.00 B 25 TYR A 6 TYR^? 1000.00 B 89 THR A 89 THR^? 1000.00 D 283 GLU A 86 GLU^? 1000.00 coo 53.77 21.59 52.52 53.72 19.81 51.24 19.47 -20.80 -23.49 17.87 -20.32 -24.84 coo 52.81 15.60 53.32 51.72 16.94 51.12 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo 50.67 24.88 46.55 52.16 23.30 46.40 16.50 -26.80 -17.44 16.12 -28.90 -17.35 coo 48.21 16.39 52.49 47.84 18.39 51.92 21.78 -27.43 -25.47 23.65 -28.43 -25.48 ULMN 4 3eca_c07 ASPARAGINASE TYPE II user 2 4 # 2 B 12 THR B 5 THR^? 1000.00 B 25 TYR B 6 TYR^? 1000.00 B 89 THR B 89 THR^? 1000.00 D 283 GLU B 86 GLU^? 1000.00 coo 53.77 21.59 52.52 53.72 19.81 51.24 8.27 -27.26 -86.05 8.66 -25.65 -84.68 coo 52.81 15.60 53.32 51.72 16.94 51.12 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo 50.67 24.88 46.55 52.16 23.30 46.40 14.94 -27.68 -92.11 16.94 -28.40 -92.22 coo 48.21 16.39 52.49 47.84 18.39 51.92 12.86 -32.58 -84.08 12.77 -34.69 -84.08 3eca_c07 source 3eca ASPARAGINASE TYPE II : 2 hits 3eca_c07 naa= 4 ULMN 4 5enl_c01 ENOLASE (E.C.4.2.1.11) (2-PHOSPHO- Duser 1 4 # 1 168 GLU A 84 GLU^? 1000.00 211 GLU A 86 GLU^? 1000.00 345 LYS A 23 LYS.? 1000.00 373 HIS A 21 HIS~? 1000.00 coo 93.06 51.30 30.12 94.58 49.94 29.58 25.54 -27.52 -32.09 27.26 -28.36 -31.17 coo 91.99 44.43 29.92 93.23 45.97 29.33 21.78 -27.43 -25.47 23.65 -28.43 -25.48 coo 103.66 43.57 23.68 98.86 47.65 23.32 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 97.15 42.73 29.83 95.81 44.24 30.44 26.02 -25.01 -22.11 24.46 -26.35 -22.53 ULMN 4 5enl_c01 ENOLASE (E.C.4.2.1.11) (2-PHOSPHO- Duser 2 4 # 2 168 GLU B 84 GLU^? 1000.00 211 GLU B 86 GLU^? 1000.00 345 LYS B 23 LYS^? 1000.00 373 HIS B 21 HIS^? 1000.00 coo 93.06 51.30 30.12 94.58 49.94 29.58 11.05 -35.89 -77.46 10.93 -37.79 -78.39 coo 91.99 44.43 29.92 93.23 45.97 29.33 12.86 -32.58 -84.08 12.77 -34.69 -84.08 coo 103.66 43.57 23.68 98.86 47.65 23.32 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 97.15 42.73 29.83 95.81 44.24 30.44 8.62 -35.03 -87.45 10.56 -34.35 -87.03 5enl_c01 source 5enl ENOLASE (E.C.4.2.1.11) (2-PHOSPHO- D-GLYCERATE: 2 hits 5enl_c01 naa= 4 ULMN 3 1a05_c00 3-ISOPROPYLMALATE DEHYDROGENASE user 1 3 # 1 A 140 TYR A 6 TYR^? 1000.00 B 190 LYS A 22 LYS~? 1000.00 B 222 ASP A 19 ASP~? 1000.00 coo 7.17 16.59 41.26 8.01 19.20 40.73 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo 13.38 20.00 35.06 11.43 22.49 39.53 31.99 -23.27 -21.33 35.03 -27.43 -17.58 coo 9.76 26.58 38.10 11.63 25.78 38.76 29.74 -27.57 -15.65 30.35 -27.04 -13.70 ULMN 3 1a05_c00 3-ISOPROPYLMALATE DEHYDROGENASE user 2 3 # 2 A 140 TYR A 6 TYR^? 1000.00 B 190 LYS A 23 LYS.? 1000.00 B 222 ASP A 64 ASP^? 1000.00 coo 7.17 16.59 41.26 8.01 19.20 40.73 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo 13.38 20.00 35.06 11.43 22.49 39.53 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 9.76 26.58 38.10 11.63 25.78 38.76 29.43 -11.47 -24.77 28.22 -12.20 -26.29 ULMN 3 1a05_c00 3-ISOPROPYLMALATE DEHYDROGENASE user 3 3 # 3 A 140 TYR A 110 TYR^? 1000.00 B 190 LYS A 61 LYS^? 1000.00 B 222 ASP A 64 ASP^? 1000.00 coo 7.17 16.59 41.26 8.01 19.20 40.73 25.37 -7.28 -35.31 26.28 -6.16 -32.97 coo 13.38 20.00 35.06 11.43 22.49 39.53 21.64 -11.48 -26.11 26.63 -11.26 -28.52 coo 9.76 26.58 38.10 11.63 25.78 38.76 29.43 -11.47 -24.77 28.22 -12.20 -26.29 ULMN 3 1a05_c00 3-ISOPROPYLMALATE DEHYDROGENASE user 4 3 # 4 A 140 TYR B 6 TYR^? 1000.00 B 190 LYS B 22 LYS^? 1000.00 B 222 ASP B 19 ASP^? 1000.00 coo 7.17 16.59 41.26 8.01 19.20 40.73 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo 13.38 20.00 35.06 11.43 22.49 39.53 4.13 -39.33 -88.23 6.19 -44.05 -91.97 coo 9.76 26.58 38.10 11.63 25.78 38.76 8.97 -39.53 -93.90 8.21 -39.80 -95.86 ULMN 3 1a05_c00 3-ISOPROPYLMALATE DEHYDROGENASE user 5 3 # 5 A 140 TYR B 6 TYR^? 1000.00 B 190 LYS B 23 LYS^? 1000.00 B 222 ASP B 64 ASP^? 1000.00 coo 7.17 16.59 41.26 8.01 19.20 40.73 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo 13.38 20.00 35.06 11.43 22.49 39.53 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 9.76 26.58 38.10 11.63 25.78 38.76 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 ULMN 3 1a05_c00 3-ISOPROPYLMALATE DEHYDROGENASE user 6 3 # 6 A 140 TYR B 110 TYR^? 1000.00 B 190 LYS B 61 LYS^? 1000.00 B 222 ASP B 64 ASP^? 1000.00 coo 7.17 16.59 41.26 8.01 19.20 40.73 -6.38 -25.61 -74.23 -7.82 -25.83 -76.58 coo 13.38 20.00 35.06 11.43 22.49 39.53 -0.89 -24.47 -83.43 -3.57 -28.69 -81.00 coo 9.76 26.58 38.10 11.63 25.78 38.76 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 1a05_c00 source 1a05 3-ISOPROPYLMALATE DEHYDROGENASE : 6 hits 1a05_c00 naa= 3 ULMN 3 1a05_c01 3-ISOPROPYLMALATE DEHYDROGENASE user 1 3 # 1 A 190 LYS A 22 LYS~? 1000.00 A 222 ASP A 19 ASP~? 1000.00 B 140 TYR A 6 TYR^? 1000.00 coo -4.61 20.12 30.34 -2.74 22.65 25.95 31.99 -23.27 -21.33 35.03 -27.43 -17.58 coo -1.04 26.60 27.37 -2.94 25.93 26.69 29.74 -27.57 -15.65 30.35 -27.04 -13.70 coo 1.51 16.60 24.17 0.82 19.23 24.79 23.82 -22.13 -22.62 23.54 -22.15 -19.84 ULMN 3 1a05_c01 3-ISOPROPYLMALATE DEHYDROGENASE user 2 3 # 2 A 190 LYS A 23 LYS.? 1000.00 A 222 ASP A 64 ASP^? 1000.00 B 140 TYR A 6 TYR^? 1000.00 coo -4.61 20.12 30.34 -2.74 22.65 25.95 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo -1.04 26.60 27.37 -2.94 25.93 26.69 29.43 -11.47 -24.77 28.22 -12.20 -26.29 coo 1.51 16.60 24.17 0.82 19.23 24.79 23.82 -22.13 -22.62 23.54 -22.15 -19.84 ULMN 3 1a05_c01 3-ISOPROPYLMALATE DEHYDROGENASE user 3 3 # 3 A 190 LYS A 61 LYS^? 1000.00 A 222 ASP A 64 ASP^? 1000.00 B 140 TYR A 110 TYR^? 1000.00 coo -4.61 20.12 30.34 -2.74 22.65 25.95 21.64 -11.48 -26.11 26.63 -11.26 -28.52 coo -1.04 26.60 27.37 -2.94 25.93 26.69 29.43 -11.47 -24.77 28.22 -12.20 -26.29 coo 1.51 16.60 24.17 0.82 19.23 24.79 25.37 -7.28 -35.31 26.28 -6.16 -32.97 ULMN 3 1a05_c01 3-ISOPROPYLMALATE DEHYDROGENASE user 4 3 # 4 A 190 LYS B 22 LYS^? 1000.00 A 222 ASP B 19 ASP^? 1000.00 B 140 TYR B 6 TYR^? 1000.00 coo -4.61 20.12 30.34 -2.74 22.65 25.95 4.13 -39.33 -88.23 6.19 -44.05 -91.97 coo -1.04 26.60 27.37 -2.94 25.93 26.69 8.97 -39.53 -93.90 8.21 -39.80 -95.86 coo 1.51 16.60 24.17 0.82 19.23 24.79 7.23 -31.69 -86.93 7.39 -31.46 -89.70 ULMN 3 1a05_c01 3-ISOPROPYLMALATE DEHYDROGENASE user 5 3 # 5 A 190 LYS B 23 LYS^? 1000.00 A 222 ASP B 64 ASP^? 1000.00 B 140 TYR B 6 TYR^? 1000.00 coo -4.61 20.12 30.34 -2.74 22.65 25.95 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo -1.04 26.60 27.37 -2.94 25.93 26.69 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 coo 1.51 16.60 24.17 0.82 19.23 24.79 7.23 -31.69 -86.93 7.39 -31.46 -89.70 ULMN 3 1a05_c01 3-ISOPROPYLMALATE DEHYDROGENASE user 6 3 # 6 A 190 LYS B 61 LYS^? 1000.00 A 222 ASP B 64 ASP^? 1000.00 B 140 TYR B 110 TYR^? 1000.00 coo -4.61 20.12 30.34 -2.74 22.65 25.95 -0.89 -24.47 -83.43 -3.57 -28.69 -81.00 coo -1.04 26.60 27.37 -2.94 25.93 26.69 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 coo 1.51 16.60 24.17 0.82 19.23 24.79 -6.38 -25.61 -74.23 -7.82 -25.83 -76.58 1a05_c01 source 1a05 3-ISOPROPYLMALATE DEHYDROGENASE : 6 hits 1a05_c01 naa= 3 ULMN 3 1a0j_c12 TRYPSIN user 1 3 # 1 A 57 HIS A 21 HIS~? 1000.00 A 102 ASP A 18 ASP~? 1000.00 A 193 GLY A 14 GLY.? 1000.00 coo 25.57 41.22 61.68 24.18 39.98 62.50 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo 22.33 45.48 59.73 23.35 43.67 60.06 26.87 -23.27 -16.72 26.31 -23.96 -18.62 coo 22.57 32.23 64.13 21.98 32.82 64.22 31.16 -16.49 -26.28 31.87 -16.86 -25.96 ULMN 3 1a0j_c12 TRYPSIN user 2 3 # 2 A 57 HIS B 21 HIS^? 1000.00 A 102 ASP B 18 ASP^? 1000.00 A 193 GLY B 14 GLY^? 1000.00 coo 25.57 41.22 61.68 24.18 39.98 62.50 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo 22.33 45.48 59.73 23.35 43.67 60.06 6.68 -34.89 -92.82 7.57 -34.75 -90.92 coo 22.57 32.23 64.13 21.98 32.82 64.22 -1.32 -35.21 -83.27 -1.35 -36.02 -83.59 1a0j_c12 source 1a0j TRYPSIN : 2 hits 1a0j_c12 naa= 3 ULMN 3 1a0j_c13 TRYPSIN user 1 3 # 1 B 57 HIS A 21 HIS~? 1000.00 B 102 ASP A 18 ASP~? 1000.00 B 193 GLY A 14 GLY.? 1000.00 coo 44.08 45.58 52.81 45.86 46.55 52.85 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo 43.04 44.75 47.18 43.31 45.51 49.13 26.87 -23.27 -16.72 26.31 -23.96 -18.62 coo 50.46 51.91 56.90 50.65 51.62 56.14 31.16 -16.49 -26.28 31.87 -16.86 -25.96 ULMN 3 1a0j_c13 TRYPSIN user 2 3 # 2 B 57 HIS B 21 HIS^? 1000.00 B 102 ASP B 18 ASP^? 1000.00 B 193 GLY B 14 GLY^? 1000.00 coo 44.08 45.58 52.81 45.86 46.55 52.85 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo 43.04 44.75 47.18 43.31 45.51 49.13 6.68 -34.89 -92.82 7.57 -34.75 -90.92 coo 50.46 51.91 56.90 50.65 51.62 56.14 -1.32 -35.21 -83.27 -1.35 -36.02 -83.59 1a0j_c13 source 1a0j TRYPSIN : 2 hits 1a0j_c13 naa= 3 ULMN 3 1a0j_c14 TRYPSIN user 1 3 # 1 C 57 HIS A 21 HIS~? 1000.00 C 102 ASP A 18 ASP~? 1000.00 C 193 GLY A 14 GLY.? 1000.00 coo 34.37 41.18 73.21 34.04 43.09 73.87 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo 34.89 38.34 78.12 35.11 39.59 76.42 26.87 -23.27 -16.72 26.31 -23.96 -18.62 coo 35.43 51.03 72.12 35.20 50.72 72.87 31.16 -16.49 -26.28 31.87 -16.86 -25.96 ULMN 3 1a0j_c14 TRYPSIN user 2 3 # 2 C 57 HIS B 21 HIS^? 1000.00 C 102 ASP B 18 ASP^? 1000.00 C 193 GLY B 14 GLY^? 1000.00 coo 34.37 41.18 73.21 34.04 43.09 73.87 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo 34.89 38.34 78.12 35.11 39.59 76.42 6.68 -34.89 -92.82 7.57 -34.75 -90.92 coo 35.43 51.03 72.12 35.20 50.72 72.87 -1.32 -35.21 -83.27 -1.35 -36.02 -83.59 1a0j_c14 source 1a0j TRYPSIN : 2 hits 1a0j_c14 naa= 3 ULMN 3 1a0j_c15 TRYPSIN user 1 3 # 1 D 57 HIS A 21 HIS~? 1000.00 D 102 ASP A 18 ASP~? 1000.00 D 193 GLY A 14 GLY.? 1000.00 coo 8.19 15.01 95.72 7.78 16.53 97.01 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo 13.53 16.28 93.98 11.45 16.21 94.40 26.87 -23.27 -16.72 26.31 -23.96 -18.62 coo 1.80 21.25 100.04 2.61 21.42 100.18 31.16 -16.49 -26.28 31.87 -16.86 -25.96 ULMN 3 1a0j_c15 TRYPSIN user 2 3 # 2 D 57 HIS B 21 HIS^? 1000.00 D 102 ASP B 18 ASP^? 1000.00 D 193 GLY B 14 GLY^? 1000.00 coo 8.19 15.01 95.72 7.78 16.53 97.01 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo 13.53 16.28 93.98 11.45 16.21 94.40 6.68 -34.89 -92.82 7.57 -34.75 -90.92 coo 1.80 21.25 100.04 2.61 21.42 100.18 -1.32 -35.21 -83.27 -1.35 -36.02 -83.59 1a0j_c15 source 1a0j TRYPSIN : 2 hits 1a0j_c15 naa= 3 ULMN 3 1a50_c03 TRYPTOPHAN SYNTHASE user 1 3 # 1 A 49 GLU A 26 GLU^? 1000.00 A 60 ASP A 13 ASP.? 1000.00 A 175 TYR A 6 TYR^? 1000.00 coo 46.10 28.27 19.27 45.48 26.99 20.84 25.58 -17.25 -21.04 25.74 -16.50 -19.06 coo 56.42 28.06 12.93 55.01 27.92 14.50 35.39 -17.87 -27.45 36.78 -19.31 -28.08 coo 45.02 22.04 15.38 46.16 24.00 13.76 23.82 -22.13 -22.62 23.54 -22.15 -19.84 ULMN 3 1a50_c03 TRYPTOPHAN SYNTHASE user 2 3 # 2 A 49 GLU B 26 GLU^? 1000.00 A 60 ASP B 13 ASP^? 1000.00 A 175 TYR B 6 TYR^? 1000.00 coo 46.10 28.27 19.27 45.48 26.99 20.84 2.14 -30.76 -88.51 1.40 -30.52 -90.48 coo 56.42 28.06 12.93 55.01 27.92 14.50 -2.24 -39.57 -82.10 -1.69 -41.51 -81.47 coo 45.02 22.04 15.38 46.16 24.00 13.76 7.23 -31.69 -86.93 7.39 -31.46 -89.70 1a50_c03 source 1a50 TRYPTOPHAN SYNTHASE : 2 hits 1a50_c03 naa= 3 ULMN 3 1aam_c01 ASPARTATE AMINOTRANSFERASE user 1 3 # 1 142 TRP A 32 TRP.? 1000.00 223 ASP A 127 ASP^? 1000.00 258 LYS A 131 LYS^? 1000.00 coo 127.19 33.46 26.14 126.78 36.79 28.15 14.08 -21.71 -36.71 11.66 -24.80 -36.55 coo 126.95 41.66 23.38 128.48 40.72 24.51 18.62 -12.41 -38.39 16.82 -11.65 -37.54 coo 138.83 37.95 25.17 133.50 36.37 26.52 20.68 -24.51 -44.83 21.09 -22.52 -49.85 ULMN 3 1aam_c01 ASPARTATE AMINOTRANSFERASE user 2 3 # 2 142 TRP B 32 TRP^? 1000.00 223 ASP B 127 ASP^? 1000.00 258 LYS B 131 LYS^? 1000.00 coo 127.19 33.46 26.14 126.78 36.79 28.15 11.76 -23.05 -72.84 15.65 -22.52 -73.00 coo 126.95 41.66 23.38 128.48 40.72 24.51 1.44 -22.32 -71.15 1.70 -20.39 -72.00 coo 138.83 37.95 25.17 133.50 36.37 26.52 10.88 -30.17 -64.72 8.95 -29.51 -59.71 1aam_c01 source 1aam ASPARTATE AMINOTRANSFERASE : 2 hits 1aam_c01 naa= 3 ULMN 3 1akd_c01 CYTOCHROME P450CAM user 1 3 # 1 252 THR A 5 THR^? 1000.00 350 PHE A 97 PHE^? 1000.00 357 CYH A 98 CYH^? 1000.00 coo 17.85 20.47 14.62 16.85 19.84 12.80 19.47 -20.80 -23.49 17.87 -20.32 -24.84 coo 7.92 21.96 13.27 8.57 20.30 15.42 14.16 -28.67 -22.02 13.82 -25.93 -21.87 coo 8.82 20.77 7.90 10.59 19.75 9.80 15.72 -29.14 -26.53 14.42 -27.53 -28.35 ULMN 3 1akd_c01 CYTOCHROME P450CAM user 2 3 # 2 252 THR B 5 THR^? 1000.00 350 PHE B 97 PHE^? 1000.00 357 CYH B 98 CYH^? 1000.00 coo 17.85 20.47 14.62 16.85 19.84 12.80 8.27 -27.26 -86.05 8.66 -25.65 -84.68 coo 7.92 21.96 13.27 8.57 20.30 15.42 17.74 -26.61 -87.53 15.53 -24.94 -87.68 coo 8.82 20.77 7.90 10.59 19.75 9.80 17.36 -28.18 -83.02 16.63 -26.25 -81.22 1akd_c01 source 1akd CYTOCHROME P450CAM : 2 hits 1akd_c01 naa= 3 ULMN 3 1ald_c00 ALDOLASE A (E.C.4.1.2.13) user 1 3 # 1 33 ASP A 127 ASP^? 1000.00 187 GLU A 124 GLU^? 1000.00 229 LYS A 61 LYS^? 1000.00 coo -52.57 56.60 47.75 -51.52 54.87 46.95 18.62 -12.41 -38.39 16.82 -11.65 -37.54 coo -45.08 48.37 46.81 -46.53 49.74 45.96 24.17 -8.38 -29.24 26.07 -8.88 -30.07 coo -47.40 44.36 48.48 -50.80 49.18 46.20 21.64 -11.48 -26.11 26.63 -11.26 -28.52 ULMN 3 1ald_c00 ALDOLASE A (E.C.4.1.2.13) user 2 3 # 2 33 ASP B 127 ASP^? 1000.00 187 GLU B 124 GLU^? 1000.00 229 LYS B 61 LYS^? 1000.00 coo -52.57 56.60 47.75 -51.52 54.87 46.95 1.44 -22.32 -71.15 1.70 -20.39 -72.00 coo -45.08 48.37 46.81 -46.53 49.74 45.96 -4.84 -25.10 -80.31 -5.35 -27.01 -79.49 coo -47.40 44.36 48.48 -50.80 49.18 46.20 -0.89 -24.47 -83.43 -3.57 -28.69 -81.00 1ald_c00 source 1ald ALDOLASE A (E.C.4.1.2.13) : 2 hits 1ald_c00 naa= 3 ULMN 3 1amo_c00 NADPH-CYTOCHROME P450 REDUCTASE user 1 3 # 1 A 457 SER A 16 SER.? 1000.00 A 630 CYH A 65 CYH^? 1000.00 A 675 ASP A 64 ASP^? 1000.00 coo 2.70 -0.05 22.31 2.42 1.39 24.24 29.28 -18.48 -20.76 27.76 -20.30 -20.33 coo 0.87 7.55 27.28 1.82 5.91 25.24 33.16 -11.23 -26.53 33.12 -13.74 -25.43 coo 0.10 3.62 28.03 1.23 2.44 26.67 29.43 -11.47 -24.77 28.22 -12.20 -26.29 ULMN 3 1amo_c00 NADPH-CYTOCHROME P450 REDUCTASE user 2 3 # 2 A 457 SER B 16 SER^? 1000.00 A 630 CYH B 65 CYH^? 1000.00 A 675 ASP B 64 ASP^? 1000.00 coo 2.70 -0.05 22.31 2.42 1.39 24.24 1.34 -34.60 -88.79 3.68 -34.16 -89.21 coo 0.87 7.55 27.28 1.82 5.91 25.24 -6.88 -34.31 -83.01 -4.68 -35.50 -84.10 coo 0.10 3.62 28.03 1.23 2.44 26.67 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 1amo_c00 source 1amo NADPH-CYTOCHROME P450 REDUCTASE : 2 hits 1amo_c00 naa= 3 ULMN 3 1amo_c01 NADPH-CYTOCHROME P450 REDUCTASE user 1 3 # 1 B 457 SER A 16 SER.? 1000.00 B 630 CYH A 65 CYH^? 1000.00 B 675 ASP A 64 ASP^? 1000.00 coo 48.68 26.05 22.04 49.09 24.42 23.79 29.28 -18.48 -20.76 27.76 -20.30 -20.33 coo 50.83 17.98 26.05 49.75 19.82 24.27 33.16 -11.23 -26.53 33.12 -13.74 -25.43 coo 51.67 21.81 27.15 50.44 23.13 26.00 29.43 -11.47 -24.77 28.22 -12.20 -26.29 ULMN 3 1amo_c01 NADPH-CYTOCHROME P450 REDUCTASE user 2 3 # 2 B 457 SER B 16 SER^? 1000.00 B 630 CYH B 65 CYH^? 1000.00 B 675 ASP B 64 ASP^? 1000.00 coo 48.68 26.05 22.04 49.09 24.42 23.79 1.34 -34.60 -88.79 3.68 -34.16 -89.21 coo 50.83 17.98 26.05 49.75 19.82 24.27 -6.88 -34.31 -83.01 -4.68 -35.50 -84.10 coo 51.67 21.81 27.15 50.44 23.13 26.00 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 1amo_c01 source 1amo NADPH-CYTOCHROME P450 REDUCTASE : 2 hits 1amo_c01 naa= 3 ULMN 3 1amy_c05 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 1 3 # 1 179 ASP A 64 ASP^? 1000.00 204 GLU A 15 GLU.? 1000.00 289 ASP A 13 ASP.? 1000.00 coo -0.62 65.95 29.97 0.31 67.47 31.05 29.43 -11.47 -24.77 28.22 -12.20 -26.29 coo 4.34 62.44 32.05 4.22 64.48 32.53 31.83 -13.52 -21.46 31.81 -11.49 -22.03 coo 9.42 68.07 30.27 7.35 68.27 30.10 35.39 -17.87 -27.45 36.78 -19.31 -28.08 ULMN 3 1amy_c05 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 2 3 # 2 179 ASP B 64 ASP^? 1000.00 204 GLU B 15 GLU^? 1000.00 289 ASP B 13 ASP^? 1000.00 coo -0.62 65.95 29.97 0.31 67.47 31.05 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 coo 4.34 62.44 32.05 4.22 64.48 32.53 -4.24 -34.31 -88.08 -5.97 -33.27 -87.50 coo 9.42 68.07 30.27 7.35 68.27 30.10 -2.24 -39.57 -82.10 -1.69 -41.51 -81.47 1amy_c05 source 1amy ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE (ALPHA-AMY: 2 hits 1amy_c05 naa= 3 ULMN 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 1 3 # 1 179 ASP A 10 ASP.? 1000.00 227 GLU A 86 GLU^? 1000.00 289 ASP A 13 ASP.? 1000.00 coo -0.62 65.95 29.97 0.31 67.47 31.05 32.49 -23.60 -36.06 31.26 -25.30 -35.99 coo 3.96 55.76 41.24 4.83 57.69 41.17 21.78 -27.43 -25.47 23.65 -28.43 -25.48 coo 9.42 68.07 30.27 7.35 68.27 30.10 35.39 -17.87 -27.45 36.78 -19.31 -28.08 ULMN 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 2 3 # 2 179 ASP A 13 ASP.? 1000.00 227 GLU A 84 GLU^? 1000.00 289 ASP A 64 ASP^? 1000.00 coo -0.62 65.95 29.97 0.31 67.47 31.05 35.39 -17.87 -27.45 36.78 -19.31 -28.08 coo 3.96 55.76 41.24 4.83 57.69 41.17 25.54 -27.52 -32.09 27.26 -28.36 -31.17 coo 9.42 68.07 30.27 7.35 68.27 30.10 29.43 -11.47 -24.77 28.22 -12.20 -26.29 ULMN 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 3 3 # 3 179 ASP A 13 ASP.? 1000.00 227 GLU A 86 GLU^? 1000.00 289 ASP A 10 ASP.? 1000.00 coo -0.62 65.95 29.97 0.31 67.47 31.05 35.39 -17.87 -27.45 36.78 -19.31 -28.08 coo 3.96 55.76 41.24 4.83 57.69 41.17 21.78 -27.43 -25.47 23.65 -28.43 -25.48 coo 9.42 68.07 30.27 7.35 68.27 30.10 32.49 -23.60 -36.06 31.26 -25.30 -35.99 ULMN 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 4 3 # 4 179 ASP A 13 ASP.? 1000.00 227 GLU A 86 GLU^? 1000.00 289 ASP A 64 ASP^? 1000.00 coo -0.62 65.95 29.97 0.31 67.47 31.05 35.39 -17.87 -27.45 36.78 -19.31 -28.08 coo 3.96 55.76 41.24 4.83 57.69 41.17 21.78 -27.43 -25.47 23.65 -28.43 -25.48 coo 9.42 68.07 30.27 7.35 68.27 30.10 29.43 -11.47 -24.77 28.22 -12.20 -26.29 ULMN 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 5 3 # 5 179 ASP A 13 ASP.? 1000.00 227 GLU A 124 GLU^? 1000.00 289 ASP A 10 ASP.? 1000.00 coo -0.62 65.95 29.97 0.31 67.47 31.05 35.39 -17.87 -27.45 36.78 -19.31 -28.08 coo 3.96 55.76 41.24 4.83 57.69 41.17 24.17 -8.38 -29.24 26.07 -8.88 -30.07 coo 9.42 68.07 30.27 7.35 68.27 30.10 32.49 -23.60 -36.06 31.26 -25.30 -35.99 ULMN 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 6 3 # 6 179 ASP A 64 ASP^? 1000.00 227 GLU A 86 GLU^? 1000.00 289 ASP A 13 ASP.? 1000.00 coo -0.62 65.95 29.97 0.31 67.47 31.05 29.43 -11.47 -24.77 28.22 -12.20 -26.29 coo 3.96 55.76 41.24 4.83 57.69 41.17 21.78 -27.43 -25.47 23.65 -28.43 -25.48 coo 9.42 68.07 30.27 7.35 68.27 30.10 35.39 -17.87 -27.45 36.78 -19.31 -28.08 ULMN 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 7 3 # 7 179 ASP B 10 ASP^? 1000.00 227 GLU B 86 GLU^? 1000.00 289 ASP B 13 ASP^? 1000.00 coo -0.62 65.95 29.97 0.31 67.47 31.05 4.17 -39.92 -73.48 6.27 -39.73 -73.56 coo 3.96 55.76 41.24 4.83 57.69 41.17 12.86 -32.58 -84.08 12.77 -34.69 -84.08 coo 9.42 68.07 30.27 7.35 68.27 30.10 -2.24 -39.57 -82.10 -1.69 -41.51 -81.47 ULMN 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 8 3 # 8 179 ASP B 13 ASP^? 1000.00 227 GLU B 84 GLU^? 1000.00 289 ASP B 64 ASP^? 1000.00 coo -0.62 65.95 29.97 0.31 67.47 31.05 -2.24 -39.57 -82.10 -1.69 -41.51 -81.47 coo 3.96 55.76 41.24 4.83 57.69 41.17 11.05 -35.89 -77.46 10.93 -37.79 -78.39 coo 9.42 68.07 30.27 7.35 68.27 30.10 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 ULMN 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 9 3 # 9 179 ASP B 13 ASP^? 1000.00 227 GLU B 86 GLU^? 1000.00 289 ASP B 10 ASP^? 1000.00 coo -0.62 65.95 29.97 0.31 67.47 31.05 -2.24 -39.57 -82.10 -1.69 -41.51 -81.47 coo 3.96 55.76 41.24 4.83 57.69 41.17 12.86 -32.58 -84.08 12.77 -34.69 -84.08 coo 9.42 68.07 30.27 7.35 68.27 30.10 4.17 -39.92 -73.48 6.27 -39.73 -73.56 ULMN 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 10 3 # 10 179 ASP B 13 ASP^? 1000.00 227 GLU B 86 GLU^? 1000.00 289 ASP B 64 ASP^? 1000.00 coo -0.62 65.95 29.97 0.31 67.47 31.05 -2.24 -39.57 -82.10 -1.69 -41.51 -81.47 coo 3.96 55.76 41.24 4.83 57.69 41.17 12.86 -32.58 -84.08 12.77 -34.69 -84.08 coo 9.42 68.07 30.27 7.35 68.27 30.10 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 ULMN 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 11 3 # 11 179 ASP B 13 ASP^? 1000.00 227 GLU B 124 GLU^? 1000.00 289 ASP B 10 ASP^? 1000.00 coo -0.62 65.95 29.97 0.31 67.47 31.05 -2.24 -39.57 -82.10 -1.69 -41.51 -81.47 coo 3.96 55.76 41.24 4.83 57.69 41.17 -4.84 -25.10 -80.31 -5.35 -27.01 -79.49 coo 9.42 68.07 30.27 7.35 68.27 30.10 4.17 -39.92 -73.48 6.27 -39.73 -73.56 ULMN 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 12 3 # 12 179 ASP B 64 ASP^? 1000.00 227 GLU B 86 GLU^? 1000.00 289 ASP B 13 ASP^? 1000.00 coo -0.62 65.95 29.97 0.31 67.47 31.05 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 coo 3.96 55.76 41.24 4.83 57.69 41.17 12.86 -32.58 -84.08 12.77 -34.69 -84.08 coo 9.42 68.07 30.27 7.35 68.27 30.10 -2.24 -39.57 -82.10 -1.69 -41.51 -81.47 1amy_c06 source 1amy ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE (ALPHA-AMY: 12 hits 1amy_c06 naa= 3 ULMN 3 1avf_c04 GASTRICSIN user 1 3 # 1 A 32 ASP A 18 ASP~? 1000.00 A 35 SER A 16 SER.? 1000.00 A 217 ASP A 4 ASP^? 1000.00 coo -10.06 2.54 49.69 -8.83 3.73 50.96 26.87 -23.27 -16.72 26.31 -23.96 -18.62 coo -11.96 5.74 52.90 -10.55 6.74 51.22 29.28 -18.48 -20.76 27.76 -20.30 -20.33 coo -5.22 1.43 56.08 -5.36 2.84 54.49 19.46 -21.33 -18.77 18.88 -20.63 -16.86 ULMN 3 1avf_c04 GASTRICSIN user 2 3 # 2 A 32 ASP B 18 ASP^? 1000.00 A 35 SER B 16 SER^? 1000.00 A 217 ASP B 4 ASP^? 1000.00 coo -10.06 2.54 49.69 -8.83 3.73 50.96 6.68 -34.89 -92.82 7.57 -34.75 -90.92 coo -11.96 5.74 52.90 -10.55 6.74 51.22 1.34 -34.60 -88.79 3.68 -34.16 -89.21 coo -5.22 1.43 56.08 -5.36 2.84 54.49 8.72 -27.52 -90.78 8.40 -26.67 -92.69 1avf_c04 source 1avf GASTRICSIN : 2 hits 1avf_c04 naa= 3 ULMN 3 1avf_c05 GASTRICSIN user 1 3 # 1 J 32 ASP A 18 ASP~? 1000.00 J 35 SER A 16 SER.? 1000.00 J 217 ASP A 4 ASP^? 1000.00 coo -37.57 -17.54 20.53 -38.55 -18.66 19.00 26.87 -23.27 -16.72 26.31 -23.96 -18.62 coo -40.93 -20.91 21.81 -38.85 -21.36 20.65 29.28 -18.48 -20.76 27.76 -20.30 -20.33 coo -43.00 -16.46 14.92 -41.37 -17.71 15.28 19.46 -21.33 -18.77 18.88 -20.63 -16.86 ULMN 3 1avf_c05 GASTRICSIN user 2 3 # 2 J 32 ASP B 18 ASP^? 1000.00 J 35 SER B 16 SER^? 1000.00 J 217 ASP B 4 ASP^? 1000.00 coo -37.57 -17.54 20.53 -38.55 -18.66 19.00 6.68 -34.89 -92.82 7.57 -34.75 -90.92 coo -40.93 -20.91 21.81 -38.85 -21.36 20.65 1.34 -34.60 -88.79 3.68 -34.16 -89.21 coo -43.00 -16.46 14.92 -41.37 -17.71 15.28 8.72 -27.52 -90.78 8.40 -26.67 -92.69 1avf_c05 source 1avf GASTRICSIN : 2 hits 1avf_c05 naa= 3 ULMN 3 1ax4_c04 TRYPTOPHANASE user 1 3 # 1 A 130 PHE A 30 PHE.? 1000.00 A 223 ASP A 4 ASP^? 1000.00 A 265 LYS A 22 LYS~? 1000.00 coo 39.74 52.86 65.74 41.15 55.14 66.52 14.78 -19.77 -29.14 12.90 -21.41 -27.95 coo 30.70 47.50 67.53 29.83 49.47 67.39 19.46 -21.33 -18.77 18.88 -20.63 -16.86 coo 19.99 54.53 64.11 20.55 58.78 68.33 31.99 -23.27 -21.33 35.03 -27.43 -17.58 ULMN 3 1ax4_c04 TRYPTOPHANASE user 2 3 # 2 A 130 PHE A 30 PHE.? 1000.00 A 223 ASP A 4 ASP^? 1000.00 A 265 LYS A 23 LYS.? 1000.00 coo 39.74 52.86 65.74 41.15 55.14 66.52 14.78 -19.77 -29.14 12.90 -21.41 -27.95 coo 30.70 47.50 67.53 29.83 49.47 67.39 19.46 -21.33 -18.77 18.88 -20.63 -16.86 coo 19.99 54.53 64.11 20.55 58.78 68.33 32.67 -20.15 -23.43 38.88 -20.02 -24.22 ULMN 3 1ax4_c04 TRYPTOPHANASE user 3 3 # 3 A 130 PHE A 30 PHE.? 1000.00 A 223 ASP A 127 ASP^? 1000.00 A 265 LYS A 69 LYS^? 1000.00 coo 39.74 52.86 65.74 41.15 55.14 66.52 14.78 -19.77 -29.14 12.90 -21.41 -27.95 coo 30.70 47.50 67.53 29.83 49.47 67.39 18.62 -12.41 -38.39 16.82 -11.65 -37.54 coo 19.99 54.53 64.11 20.55 58.78 68.33 32.90 -11.51 -34.53 36.58 -11.70 -35.14 ULMN 3 1ax4_c04 TRYPTOPHANASE user 4 3 # 4 A 130 PHE A 95 PHE^? 1000.00 A 223 ASP A 4 ASP^? 1000.00 A 265 LYS A 23 LYS.? 1000.00 coo 39.74 52.86 65.74 41.15 55.14 66.52 18.34 -32.59 -18.81 15.65 -33.01 -18.37 coo 30.70 47.50 67.53 29.83 49.47 67.39 19.46 -21.33 -18.77 18.88 -20.63 -16.86 coo 19.99 54.53 64.11 20.55 58.78 68.33 32.67 -20.15 -23.43 38.88 -20.02 -24.22 ULMN 3 1ax4_c04 TRYPTOPHANASE user 5 3 # 5 A 130 PHE A 97 PHE^? 1000.00 A 223 ASP A 4 ASP^? 1000.00 A 265 LYS A 22 LYS~? 1000.00 coo 39.74 52.86 65.74 41.15 55.14 66.52 14.16 -28.67 -22.02 13.82 -25.93 -21.87 coo 30.70 47.50 67.53 29.83 49.47 67.39 19.46 -21.33 -18.77 18.88 -20.63 -16.86 coo 19.99 54.53 64.11 20.55 58.78 68.33 31.99 -23.27 -21.33 35.03 -27.43 -17.58 ULMN 3 1ax4_c04 TRYPTOPHANASE user 6 3 # 6 A 130 PHE A 97 PHE^? 1000.00 A 223 ASP A 4 ASP^? 1000.00 A 265 LYS A 23 LYS.? 1000.00 coo 39.74 52.86 65.74 41.15 55.14 66.52 14.16 -28.67 -22.02 13.82 -25.93 -21.87 coo 30.70 47.50 67.53 29.83 49.47 67.39 19.46 -21.33 -18.77 18.88 -20.63 -16.86 coo 19.99 54.53 64.11 20.55 58.78 68.33 32.67 -20.15 -23.43 38.88 -20.02 -24.22 ULMN 3 1ax4_c04 TRYPTOPHANASE user 7 3 # 7 A 130 PHE A 97 PHE^? 1000.00 A 223 ASP A 4 ASP^? 1000.00 A 265 LYS A 61 LYS^? 1000.00 coo 39.74 52.86 65.74 41.15 55.14 66.52 14.16 -28.67 -22.02 13.82 -25.93 -21.87 coo 30.70 47.50 67.53 29.83 49.47 67.39 19.46 -21.33 -18.77 18.88 -20.63 -16.86 coo 19.99 54.53 64.11 20.55 58.78 68.33 21.64 -11.48 -26.11 26.63 -11.26 -28.52 ULMN 3 1ax4_c04 TRYPTOPHANASE user 8 3 # 8 A 130 PHE A 102 PHE^? 1000.00 A 223 ASP A 10 ASP.? 1000.00 A 265 LYS A 22 LYS~? 1000.00 coo 39.74 52.86 65.74 41.15 55.14 66.52 20.49 -23.92 -36.98 18.27 -23.18 -35.48 coo 30.70 47.50 67.53 29.83 49.47 67.39 32.49 -23.60 -36.06 31.26 -25.30 -35.99 coo 19.99 54.53 64.11 20.55 58.78 68.33 31.99 -23.27 -21.33 35.03 -27.43 -17.58 ULMN 3 1ax4_c04 TRYPTOPHANASE user 9 3 # 9 A 130 PHE A 102 PHE^? 1000.00 A 223 ASP A 10 ASP.? 1000.00 A 265 LYS A 23 LYS.? 1000.00 coo 39.74 52.86 65.74 41.15 55.14 66.52 20.49 -23.92 -36.98 18.27 -23.18 -35.48 coo 30.70 47.50 67.53 29.83 49.47 67.39 32.49 -23.60 -36.06 31.26 -25.30 -35.99 coo 19.99 54.53 64.11 20.55 58.78 68.33 32.67 -20.15 -23.43 38.88 -20.02 -24.22 ULMN 3 1ax4_c04 TRYPTOPHANASE user 10 3 # 10 A 130 PHE A 128 PHE^? 1000.00 A 223 ASP A 10 ASP.? 1000.00 A 265 LYS A 22 LYS~? 1000.00 coo 39.74 52.86 65.74 41.15 55.14 66.52 22.32 -16.99 -36.28 24.17 -16.12 -34.42 coo 30.70 47.50 67.53 29.83 49.47 67.39 32.49 -23.60 -36.06 31.26 -25.30 -35.99 coo 19.99 54.53 64.11 20.55 58.78 68.33 31.99 -23.27 -21.33 35.03 -27.43 -17.58 ULMN 3 1ax4_c04 TRYPTOPHANASE user 11 3 # 11 A 130 PHE B 30 PHE^? 1000.00 A 223 ASP B 4 ASP^? 1000.00 A 265 LYS B 22 LYS^? 1000.00 coo 39.74 52.86 65.74 41.15 55.14 66.52 9.71 -22.69 -80.41 12.09 -21.91 -81.59 coo 30.70 47.50 67.53 29.83 49.47 67.39 8.72 -27.52 -90.78 8.40 -26.67 -92.69 coo 19.99 54.53 64.11 20.55 58.78 68.33 4.13 -39.33 -88.23 6.19 -44.05 -91.97 ULMN 3 1ax4_c04 TRYPTOPHANASE user 12 3 # 12 A 130 PHE B 30 PHE^? 1000.00 A 223 ASP B 4 ASP^? 1000.00 A 265 LYS B 23 LYS^? 1000.00 coo 39.74 52.86 65.74 41.15 55.14 66.52 9.71 -22.69 -80.41 12.09 -21.91 -81.59 coo 30.70 47.50 67.53 29.83 49.47 67.39 8.72 -27.52 -90.78 8.40 -26.67 -92.69 coo 19.99 54.53 64.11 20.55 58.78 68.33 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 ULMN 3 1ax4_c04 TRYPTOPHANASE user 13 3 # 13 A 130 PHE B 30 PHE^? 1000.00 A 223 ASP B 127 ASP^? 1000.00 A 265 LYS B 69 LYS^? 1000.00 coo 39.74 52.86 65.74 41.15 55.14 66.52 9.71 -22.69 -80.41 12.09 -21.91 -81.59 coo 30.70 47.50 67.53 29.83 49.47 67.39 1.44 -22.32 -71.15 1.70 -20.39 -72.00 coo 19.99 54.53 64.11 20.55 58.78 68.33 -6.51 -34.23 -75.02 -8.20 -37.51 -74.40 ULMN 3 1ax4_c04 TRYPTOPHANASE user 14 3 # 14 A 130 PHE B 95 PHE^? 1000.00 A 223 ASP B 4 ASP^? 1000.00 A 265 LYS B 23 LYS^? 1000.00 coo 39.74 52.86 65.74 41.15 55.14 66.52 19.02 -32.18 -90.75 20.72 -30.05 -91.18 coo 30.70 47.50 67.53 29.83 49.47 67.39 8.72 -27.52 -90.78 8.40 -26.67 -92.69 coo 19.99 54.53 64.11 20.55 58.78 68.33 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 ULMN 3 1ax4_c04 TRYPTOPHANASE user 15 3 # 15 A 130 PHE B 97 PHE^? 1000.00 A 223 ASP B 4 ASP^? 1000.00 A 265 LYS B 22 LYS^? 1000.00 coo 39.74 52.86 65.74 41.15 55.14 66.52 17.74 -26.61 -87.53 15.53 -24.94 -87.68 coo 30.70 47.50 67.53 29.83 49.47 67.39 8.72 -27.52 -90.78 8.40 -26.67 -92.69 coo 19.99 54.53 64.11 20.55 58.78 68.33 4.13 -39.33 -88.23 6.19 -44.05 -91.97 ULMN 3 1ax4_c04 TRYPTOPHANASE user 16 3 # 16 A 130 PHE B 97 PHE^? 1000.00 A 223 ASP B 4 ASP^? 1000.00 A 265 LYS B 23 LYS^? 1000.00 coo 39.74 52.86 65.74 41.15 55.14 66.52 17.74 -26.61 -87.53 15.53 -24.94 -87.68 coo 30.70 47.50 67.53 29.83 49.47 67.39 8.72 -27.52 -90.78 8.40 -26.67 -92.69 coo 19.99 54.53 64.11 20.55 58.78 68.33 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 ULMN 3 1ax4_c04 TRYPTOPHANASE user 17 3 # 17 A 130 PHE B 97 PHE^? 1000.00 A 223 ASP B 4 ASP^? 1000.00 A 265 LYS B 61 LYS^? 1000.00 coo 39.74 52.86 65.74 41.15 55.14 66.52 17.74 -26.61 -87.53 15.53 -24.94 -87.68 coo 30.70 47.50 67.53 29.83 49.47 67.39 8.72 -27.52 -90.78 8.40 -26.67 -92.69 coo 19.99 54.53 64.11 20.55 58.78 68.33 -0.89 -24.47 -83.43 -3.57 -28.69 -81.00 ULMN 3 1ax4_c04 TRYPTOPHANASE user 18 3 # 18 A 130 PHE B 102 PHE^? 1000.00 A 223 ASP B 10 ASP^? 1000.00 A 265 LYS B 22 LYS^? 1000.00 coo 39.74 52.86 65.74 41.15 55.14 66.52 10.47 -29.71 -72.56 10.94 -27.41 -74.06 coo 30.70 47.50 67.53 29.83 49.47 67.39 4.17 -39.92 -73.48 6.27 -39.73 -73.56 coo 19.99 54.53 64.11 20.55 58.78 68.33 4.13 -39.33 -88.23 6.19 -44.05 -91.97 ULMN 3 1ax4_c04 TRYPTOPHANASE user 19 3 # 19 A 130 PHE B 102 PHE^? 1000.00 A 223 ASP B 10 ASP^? 1000.00 A 265 LYS B 23 LYS^? 1000.00 coo 39.74 52.86 65.74 41.15 55.14 66.52 10.47 -29.71 -72.56 10.94 -27.41 -74.06 coo 30.70 47.50 67.53 29.83 49.47 67.39 4.17 -39.92 -73.48 6.27 -39.73 -73.56 coo 19.99 54.53 64.11 20.55 58.78 68.33 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 ULMN 3 1ax4_c04 TRYPTOPHANASE user 20 3 # 20 A 130 PHE B 128 PHE^? 1000.00 A 223 ASP B 10 ASP^? 1000.00 A 265 LYS B 22 LYS^? 1000.00 coo 39.74 52.86 65.74 41.15 55.14 66.52 3.54 -27.82 -73.26 1.86 -28.99 -75.12 coo 30.70 47.50 67.53 29.83 49.47 67.39 4.17 -39.92 -73.48 6.27 -39.73 -73.56 coo 19.99 54.53 64.11 20.55 58.78 68.33 4.13 -39.33 -88.23 6.19 -44.05 -91.97 1ax4_c04 source 1ax4 TRYPTOPHANASE : 20 hits 1ax4_c04 naa= 3 ULMN 3 1ax4_c05 TRYPTOPHANASE user 1 3 # 1 B 130 PHE A 30 PHE.? 1000.00 B 223 ASP A 4 ASP^? 1000.00 B 265 LYS A 22 LYS~? 1000.00 coo 7.48 54.94 99.62 7.67 52.27 100.42 14.78 -19.77 -29.14 12.90 -21.41 -27.95 coo 10.43 61.66 91.81 9.80 60.04 90.61 19.46 -21.33 -18.77 18.88 -20.63 -16.86 coo 5.43 58.06 80.08 8.57 53.00 79.37 31.99 -23.27 -21.33 35.03 -27.43 -17.58 ULMN 3 1ax4_c05 TRYPTOPHANASE user 2 3 # 2 B 130 PHE A 30 PHE.? 1000.00 B 223 ASP A 4 ASP^? 1000.00 B 265 LYS A 23 LYS.? 1000.00 coo 7.48 54.94 99.62 7.67 52.27 100.42 14.78 -19.77 -29.14 12.90 -21.41 -27.95 coo 10.43 61.66 91.81 9.80 60.04 90.61 19.46 -21.33 -18.77 18.88 -20.63 -16.86 coo 5.43 58.06 80.08 8.57 53.00 79.37 32.67 -20.15 -23.43 38.88 -20.02 -24.22 ULMN 3 1ax4_c05 TRYPTOPHANASE user 3 3 # 3 B 130 PHE A 30 PHE.? 1000.00 B 223 ASP A 127 ASP^? 1000.00 B 265 LYS A 69 LYS^? 1000.00 coo 7.48 54.94 99.62 7.67 52.27 100.42 14.78 -19.77 -29.14 12.90 -21.41 -27.95 coo 10.43 61.66 91.81 9.80 60.04 90.61 18.62 -12.41 -38.39 16.82 -11.65 -37.54 coo 5.43 58.06 80.08 8.57 53.00 79.37 32.90 -11.51 -34.53 36.58 -11.70 -35.14 ULMN 3 1ax4_c05 TRYPTOPHANASE user 4 3 # 4 B 130 PHE A 95 PHE^? 1000.00 B 223 ASP A 4 ASP^? 1000.00 B 265 LYS A 23 LYS.? 1000.00 coo 7.48 54.94 99.62 7.67 52.27 100.42 18.34 -32.59 -18.81 15.65 -33.01 -18.37 coo 10.43 61.66 91.81 9.80 60.04 90.61 19.46 -21.33 -18.77 18.88 -20.63 -16.86 coo 5.43 58.06 80.08 8.57 53.00 79.37 32.67 -20.15 -23.43 38.88 -20.02 -24.22 ULMN 3 1ax4_c05 TRYPTOPHANASE user 5 3 # 5 B 130 PHE A 97 PHE^? 1000.00 B 223 ASP A 4 ASP^? 1000.00 B 265 LYS A 22 LYS~? 1000.00 coo 7.48 54.94 99.62 7.67 52.27 100.42 14.16 -28.67 -22.02 13.82 -25.93 -21.87 coo 10.43 61.66 91.81 9.80 60.04 90.61 19.46 -21.33 -18.77 18.88 -20.63 -16.86 coo 5.43 58.06 80.08 8.57 53.00 79.37 31.99 -23.27 -21.33 35.03 -27.43 -17.58 ULMN 3 1ax4_c05 TRYPTOPHANASE user 6 3 # 6 B 130 PHE A 97 PHE^? 1000.00 B 223 ASP A 4 ASP^? 1000.00 B 265 LYS A 23 LYS.? 1000.00 coo 7.48 54.94 99.62 7.67 52.27 100.42 14.16 -28.67 -22.02 13.82 -25.93 -21.87 coo 10.43 61.66 91.81 9.80 60.04 90.61 19.46 -21.33 -18.77 18.88 -20.63 -16.86 coo 5.43 58.06 80.08 8.57 53.00 79.37 32.67 -20.15 -23.43 38.88 -20.02 -24.22 ULMN 3 1ax4_c05 TRYPTOPHANASE user 7 3 # 7 B 130 PHE A 97 PHE^? 1000.00 B 223 ASP A 4 ASP^? 1000.00 B 265 LYS A 61 LYS^? 1000.00 coo 7.48 54.94 99.62 7.67 52.27 100.42 14.16 -28.67 -22.02 13.82 -25.93 -21.87 coo 10.43 61.66 91.81 9.80 60.04 90.61 19.46 -21.33 -18.77 18.88 -20.63 -16.86 coo 5.43 58.06 80.08 8.57 53.00 79.37 21.64 -11.48 -26.11 26.63 -11.26 -28.52 ULMN 3 1ax4_c05 TRYPTOPHANASE user 8 3 # 8 B 130 PHE A 102 PHE^? 1000.00 B 223 ASP A 10 ASP.? 1000.00 B 265 LYS A 22 LYS~? 1000.00 coo 7.48 54.94 99.62 7.67 52.27 100.42 20.49 -23.92 -36.98 18.27 -23.18 -35.48 coo 10.43 61.66 91.81 9.80 60.04 90.61 32.49 -23.60 -36.06 31.26 -25.30 -35.99 coo 5.43 58.06 80.08 8.57 53.00 79.37 31.99 -23.27 -21.33 35.03 -27.43 -17.58 ULMN 3 1ax4_c05 TRYPTOPHANASE user 9 3 # 9 B 130 PHE A 102 PHE^? 1000.00 B 223 ASP A 10 ASP.? 1000.00 B 265 LYS A 23 LYS.? 1000.00 coo 7.48 54.94 99.62 7.67 52.27 100.42 20.49 -23.92 -36.98 18.27 -23.18 -35.48 coo 10.43 61.66 91.81 9.80 60.04 90.61 32.49 -23.60 -36.06 31.26 -25.30 -35.99 coo 5.43 58.06 80.08 8.57 53.00 79.37 32.67 -20.15 -23.43 38.88 -20.02 -24.22 ULMN 3 1ax4_c05 TRYPTOPHANASE user 10 3 # 10 B 130 PHE A 128 PHE^? 1000.00 B 223 ASP A 10 ASP.? 1000.00 B 265 LYS A 22 LYS~? 1000.00 coo 7.48 54.94 99.62 7.67 52.27 100.42 22.32 -16.99 -36.28 24.17 -16.12 -34.42 coo 10.43 61.66 91.81 9.80 60.04 90.61 32.49 -23.60 -36.06 31.26 -25.30 -35.99 coo 5.43 58.06 80.08 8.57 53.00 79.37 31.99 -23.27 -21.33 35.03 -27.43 -17.58 ULMN 3 1ax4_c05 TRYPTOPHANASE user 11 3 # 11 B 130 PHE B 30 PHE^? 1000.00 B 223 ASP B 4 ASP^? 1000.00 B 265 LYS B 22 LYS^? 1000.00 coo 7.48 54.94 99.62 7.67 52.27 100.42 9.71 -22.69 -80.41 12.09 -21.91 -81.59 coo 10.43 61.66 91.81 9.80 60.04 90.61 8.72 -27.52 -90.78 8.40 -26.67 -92.69 coo 5.43 58.06 80.08 8.57 53.00 79.37 4.13 -39.33 -88.23 6.19 -44.05 -91.97 ULMN 3 1ax4_c05 TRYPTOPHANASE user 12 3 # 12 B 130 PHE B 30 PHE^? 1000.00 B 223 ASP B 4 ASP^? 1000.00 B 265 LYS B 23 LYS^? 1000.00 coo 7.48 54.94 99.62 7.67 52.27 100.42 9.71 -22.69 -80.41 12.09 -21.91 -81.59 coo 10.43 61.66 91.81 9.80 60.04 90.61 8.72 -27.52 -90.78 8.40 -26.67 -92.69 coo 5.43 58.06 80.08 8.57 53.00 79.37 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 ULMN 3 1ax4_c05 TRYPTOPHANASE user 13 3 # 13 B 130 PHE B 30 PHE^? 1000.00 B 223 ASP B 127 ASP^? 1000.00 B 265 LYS B 69 LYS^? 1000.00 coo 7.48 54.94 99.62 7.67 52.27 100.42 9.71 -22.69 -80.41 12.09 -21.91 -81.59 coo 10.43 61.66 91.81 9.80 60.04 90.61 1.44 -22.32 -71.15 1.70 -20.39 -72.00 coo 5.43 58.06 80.08 8.57 53.00 79.37 -6.51 -34.23 -75.02 -8.20 -37.51 -74.40 ULMN 3 1ax4_c05 TRYPTOPHANASE user 14 3 # 14 B 130 PHE B 95 PHE^? 1000.00 B 223 ASP B 4 ASP^? 1000.00 B 265 LYS B 23 LYS^? 1000.00 coo 7.48 54.94 99.62 7.67 52.27 100.42 19.02 -32.18 -90.75 20.72 -30.05 -91.18 coo 10.43 61.66 91.81 9.80 60.04 90.61 8.72 -27.52 -90.78 8.40 -26.67 -92.69 coo 5.43 58.06 80.08 8.57 53.00 79.37 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 ULMN 3 1ax4_c05 TRYPTOPHANASE user 15 3 # 15 B 130 PHE B 97 PHE^? 1000.00 B 223 ASP B 4 ASP^? 1000.00 B 265 LYS B 22 LYS^? 1000.00 coo 7.48 54.94 99.62 7.67 52.27 100.42 17.74 -26.61 -87.53 15.53 -24.94 -87.68 coo 10.43 61.66 91.81 9.80 60.04 90.61 8.72 -27.52 -90.78 8.40 -26.67 -92.69 coo 5.43 58.06 80.08 8.57 53.00 79.37 4.13 -39.33 -88.23 6.19 -44.05 -91.97 ULMN 3 1ax4_c05 TRYPTOPHANASE user 16 3 # 16 B 130 PHE B 97 PHE^? 1000.00 B 223 ASP B 4 ASP^? 1000.00 B 265 LYS B 23 LYS^? 1000.00 coo 7.48 54.94 99.62 7.67 52.27 100.42 17.74 -26.61 -87.53 15.53 -24.94 -87.68 coo 10.43 61.66 91.81 9.80 60.04 90.61 8.72 -27.52 -90.78 8.40 -26.67 -92.69 coo 5.43 58.06 80.08 8.57 53.00 79.37 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 ULMN 3 1ax4_c05 TRYPTOPHANASE user 17 3 # 17 B 130 PHE B 97 PHE^? 1000.00 B 223 ASP B 4 ASP^? 1000.00 B 265 LYS B 61 LYS^? 1000.00 coo 7.48 54.94 99.62 7.67 52.27 100.42 17.74 -26.61 -87.53 15.53 -24.94 -87.68 coo 10.43 61.66 91.81 9.80 60.04 90.61 8.72 -27.52 -90.78 8.40 -26.67 -92.69 coo 5.43 58.06 80.08 8.57 53.00 79.37 -0.89 -24.47 -83.43 -3.57 -28.69 -81.00 ULMN 3 1ax4_c05 TRYPTOPHANASE user 18 3 # 18 B 130 PHE B 102 PHE^? 1000.00 B 223 ASP B 10 ASP^? 1000.00 B 265 LYS B 22 LYS^? 1000.00 coo 7.48 54.94 99.62 7.67 52.27 100.42 10.47 -29.71 -72.56 10.94 -27.41 -74.06 coo 10.43 61.66 91.81 9.80 60.04 90.61 4.17 -39.92 -73.48 6.27 -39.73 -73.56 coo 5.43 58.06 80.08 8.57 53.00 79.37 4.13 -39.33 -88.23 6.19 -44.05 -91.97 ULMN 3 1ax4_c05 TRYPTOPHANASE user 19 3 # 19 B 130 PHE B 102 PHE^? 1000.00 B 223 ASP B 10 ASP^? 1000.00 B 265 LYS B 23 LYS^? 1000.00 coo 7.48 54.94 99.62 7.67 52.27 100.42 10.47 -29.71 -72.56 10.94 -27.41 -74.06 coo 10.43 61.66 91.81 9.80 60.04 90.61 4.17 -39.92 -73.48 6.27 -39.73 -73.56 coo 5.43 58.06 80.08 8.57 53.00 79.37 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 ULMN 3 1ax4_c05 TRYPTOPHANASE user 20 3 # 20 B 130 PHE B 128 PHE^? 1000.00 B 223 ASP B 10 ASP^? 1000.00 B 265 LYS B 22 LYS^? 1000.00 coo 7.48 54.94 99.62 7.67 52.27 100.42 3.54 -27.82 -73.26 1.86 -28.99 -75.12 coo 10.43 61.66 91.81 9.80 60.04 90.61 4.17 -39.92 -73.48 6.27 -39.73 -73.56 coo 5.43 58.06 80.08 8.57 53.00 79.37 4.13 -39.33 -88.23 6.19 -44.05 -91.97 1ax4_c05 source 1ax4 TRYPTOPHANASE : 20 hits 1ax4_c05 naa= 3 ULMN 3 1ax4_c06 TRYPTOPHANASE user 1 3 # 1 C 130 PHE A 30 PHE.? 1000.00 C 223 ASP A 4 ASP^? 1000.00 C 265 LYS A 22 LYS~? 1000.00 coo -6.55 73.45 23.60 -6.77 71.48 21.66 14.78 -19.77 -29.14 12.90 -21.41 -27.95 coo -9.52 75.74 33.62 -8.85 73.74 33.93 19.46 -21.33 -18.77 18.88 -20.63 -16.86 coo -4.44 67.20 42.32 -7.50 62.41 40.49 31.99 -23.27 -21.33 35.03 -27.43 -17.58 ULMN 3 1ax4_c06 TRYPTOPHANASE user 2 3 # 2 C 130 PHE A 30 PHE.? 1000.00 C 223 ASP A 4 ASP^? 1000.00 C 265 LYS A 23 LYS.? 1000.00 coo -6.55 73.45 23.60 -6.77 71.48 21.66 14.78 -19.77 -29.14 12.90 -21.41 -27.95 coo -9.52 75.74 33.62 -8.85 73.74 33.93 19.46 -21.33 -18.77 18.88 -20.63 -16.86 coo -4.44 67.20 42.32 -7.50 62.41 40.49 32.67 -20.15 -23.43 38.88 -20.02 -24.22 ULMN 3 1ax4_c06 TRYPTOPHANASE user 3 3 # 3 C 130 PHE A 30 PHE.? 1000.00 C 223 ASP A 127 ASP^? 1000.00 C 265 LYS A 69 LYS^? 1000.00 coo -6.55 73.45 23.60 -6.77 71.48 21.66 14.78 -19.77 -29.14 12.90 -21.41 -27.95 coo -9.52 75.74 33.62 -8.85 73.74 33.93 18.62 -12.41 -38.39 16.82 -11.65 -37.54 coo -4.44 67.20 42.32 -7.50 62.41 40.49 32.90 -11.51 -34.53 36.58 -11.70 -35.14 ULMN 3 1ax4_c06 TRYPTOPHANASE user 4 3 # 4 C 130 PHE A 95 PHE^? 1000.00 C 223 ASP A 4 ASP^? 1000.00 C 265 LYS A 23 LYS.? 1000.00 coo -6.55 73.45 23.60 -6.77 71.48 21.66 18.34 -32.59 -18.81 15.65 -33.01 -18.37 coo -9.52 75.74 33.62 -8.85 73.74 33.93 19.46 -21.33 -18.77 18.88 -20.63 -16.86 coo -4.44 67.20 42.32 -7.50 62.41 40.49 32.67 -20.15 -23.43 38.88 -20.02 -24.22 ULMN 3 1ax4_c06 TRYPTOPHANASE user 5 3 # 5 C 130 PHE A 97 PHE^? 1000.00 C 223 ASP A 4 ASP^? 1000.00 C 265 LYS A 22 LYS~? 1000.00 coo -6.55 73.45 23.60 -6.77 71.48 21.66 14.16 -28.67 -22.02 13.82 -25.93 -21.87 coo -9.52 75.74 33.62 -8.85 73.74 33.93 19.46 -21.33 -18.77 18.88 -20.63 -16.86 coo -4.44 67.20 42.32 -7.50 62.41 40.49 31.99 -23.27 -21.33 35.03 -27.43 -17.58 ULMN 3 1ax4_c06 TRYPTOPHANASE user 6 3 # 6 C 130 PHE A 97 PHE^? 1000.00 C 223 ASP A 4 ASP^? 1000.00 C 265 LYS A 23 LYS.? 1000.00 coo -6.55 73.45 23.60 -6.77 71.48 21.66 14.16 -28.67 -22.02 13.82 -25.93 -21.87 coo -9.52 75.74 33.62 -8.85 73.74 33.93 19.46 -21.33 -18.77 18.88 -20.63 -16.86 coo -4.44 67.20 42.32 -7.50 62.41 40.49 32.67 -20.15 -23.43 38.88 -20.02 -24.22 ULMN 3 1ax4_c06 TRYPTOPHANASE user 7 3 # 7 C 130 PHE A 97 PHE^? 1000.00 C 223 ASP A 4 ASP^? 1000.00 C 265 LYS A 61 LYS^? 1000.00 coo -6.55 73.45 23.60 -6.77 71.48 21.66 14.16 -28.67 -22.02 13.82 -25.93 -21.87 coo -9.52 75.74 33.62 -8.85 73.74 33.93 19.46 -21.33 -18.77 18.88 -20.63 -16.86 coo -4.44 67.20 42.32 -7.50 62.41 40.49 21.64 -11.48 -26.11 26.63 -11.26 -28.52 ULMN 3 1ax4_c06 TRYPTOPHANASE user 8 3 # 8 C 130 PHE A 102 PHE^? 1000.00 C 223 ASP A 10 ASP.? 1000.00 C 265 LYS A 22 LYS~? 1000.00 coo -6.55 73.45 23.60 -6.77 71.48 21.66 20.49 -23.92 -36.98 18.27 -23.18 -35.48 coo -9.52 75.74 33.62 -8.85 73.74 33.93 32.49 -23.60 -36.06 31.26 -25.30 -35.99 coo -4.44 67.20 42.32 -7.50 62.41 40.49 31.99 -23.27 -21.33 35.03 -27.43 -17.58 ULMN 3 1ax4_c06 TRYPTOPHANASE user 9 3 # 9 C 130 PHE A 102 PHE^? 1000.00 C 223 ASP A 10 ASP.? 1000.00 C 265 LYS A 23 LYS.? 1000.00 coo -6.55 73.45 23.60 -6.77 71.48 21.66 20.49 -23.92 -36.98 18.27 -23.18 -35.48 coo -9.52 75.74 33.62 -8.85 73.74 33.93 32.49 -23.60 -36.06 31.26 -25.30 -35.99 coo -4.44 67.20 42.32 -7.50 62.41 40.49 32.67 -20.15 -23.43 38.88 -20.02 -24.22 ULMN 3 1ax4_c06 TRYPTOPHANASE user 10 3 # 10 C 130 PHE A 128 PHE^? 1000.00 C 223 ASP A 10 ASP.? 1000.00 C 265 LYS A 22 LYS~? 1000.00 coo -6.55 73.45 23.60 -6.77 71.48 21.66 22.32 -16.99 -36.28 24.17 -16.12 -34.42 coo -9.52 75.74 33.62 -8.85 73.74 33.93 32.49 -23.60 -36.06 31.26 -25.30 -35.99 coo -4.44 67.20 42.32 -7.50 62.41 40.49 31.99 -23.27 -21.33 35.03 -27.43 -17.58 ULMN 3 1ax4_c06 TRYPTOPHANASE user 11 3 # 11 C 130 PHE B 30 PHE^? 1000.00 C 223 ASP B 4 ASP^? 1000.00 C 265 LYS B 22 LYS^? 1000.00 coo -6.55 73.45 23.60 -6.77 71.48 21.66 9.71 -22.69 -80.41 12.09 -21.91 -81.59 coo -9.52 75.74 33.62 -8.85 73.74 33.93 8.72 -27.52 -90.78 8.40 -26.67 -92.69 coo -4.44 67.20 42.32 -7.50 62.41 40.49 4.13 -39.33 -88.23 6.19 -44.05 -91.97 ULMN 3 1ax4_c06 TRYPTOPHANASE user 12 3 # 12 C 130 PHE B 30 PHE^? 1000.00 C 223 ASP B 4 ASP^? 1000.00 C 265 LYS B 23 LYS^? 1000.00 coo -6.55 73.45 23.60 -6.77 71.48 21.66 9.71 -22.69 -80.41 12.09 -21.91 -81.59 coo -9.52 75.74 33.62 -8.85 73.74 33.93 8.72 -27.52 -90.78 8.40 -26.67 -92.69 coo -4.44 67.20 42.32 -7.50 62.41 40.49 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 ULMN 3 1ax4_c06 TRYPTOPHANASE user 13 3 # 13 C 130 PHE B 30 PHE^? 1000.00 C 223 ASP B 127 ASP^? 1000.00 C 265 LYS B 69 LYS^? 1000.00 coo -6.55 73.45 23.60 -6.77 71.48 21.66 9.71 -22.69 -80.41 12.09 -21.91 -81.59 coo -9.52 75.74 33.62 -8.85 73.74 33.93 1.44 -22.32 -71.15 1.70 -20.39 -72.00 coo -4.44 67.20 42.32 -7.50 62.41 40.49 -6.51 -34.23 -75.02 -8.20 -37.51 -74.40 ULMN 3 1ax4_c06 TRYPTOPHANASE user 14 3 # 14 C 130 PHE B 95 PHE^? 1000.00 C 223 ASP B 4 ASP^? 1000.00 C 265 LYS B 23 LYS^? 1000.00 coo -6.55 73.45 23.60 -6.77 71.48 21.66 19.02 -32.18 -90.75 20.72 -30.05 -91.18 coo -9.52 75.74 33.62 -8.85 73.74 33.93 8.72 -27.52 -90.78 8.40 -26.67 -92.69 coo -4.44 67.20 42.32 -7.50 62.41 40.49 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 ULMN 3 1ax4_c06 TRYPTOPHANASE user 15 3 # 15 C 130 PHE B 97 PHE^? 1000.00 C 223 ASP B 4 ASP^? 1000.00 C 265 LYS B 22 LYS^? 1000.00 coo -6.55 73.45 23.60 -6.77 71.48 21.66 17.74 -26.61 -87.53 15.53 -24.94 -87.68 coo -9.52 75.74 33.62 -8.85 73.74 33.93 8.72 -27.52 -90.78 8.40 -26.67 -92.69 coo -4.44 67.20 42.32 -7.50 62.41 40.49 4.13 -39.33 -88.23 6.19 -44.05 -91.97 ULMN 3 1ax4_c06 TRYPTOPHANASE user 16 3 # 16 C 130 PHE B 97 PHE^? 1000.00 C 223 ASP B 4 ASP^? 1000.00 C 265 LYS B 23 LYS^? 1000.00 coo -6.55 73.45 23.60 -6.77 71.48 21.66 17.74 -26.61 -87.53 15.53 -24.94 -87.68 coo -9.52 75.74 33.62 -8.85 73.74 33.93 8.72 -27.52 -90.78 8.40 -26.67 -92.69 coo -4.44 67.20 42.32 -7.50 62.41 40.49 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 ULMN 3 1ax4_c06 TRYPTOPHANASE user 17 3 # 17 C 130 PHE B 97 PHE^? 1000.00 C 223 ASP B 4 ASP^? 1000.00 C 265 LYS B 61 LYS^? 1000.00 coo -6.55 73.45 23.60 -6.77 71.48 21.66 17.74 -26.61 -87.53 15.53 -24.94 -87.68 coo -9.52 75.74 33.62 -8.85 73.74 33.93 8.72 -27.52 -90.78 8.40 -26.67 -92.69 coo -4.44 67.20 42.32 -7.50 62.41 40.49 -0.89 -24.47 -83.43 -3.57 -28.69 -81.00 ULMN 3 1ax4_c06 TRYPTOPHANASE user 18 3 # 18 C 130 PHE B 102 PHE^? 1000.00 C 223 ASP B 10 ASP^? 1000.00 C 265 LYS B 22 LYS^? 1000.00 coo -6.55 73.45 23.60 -6.77 71.48 21.66 10.47 -29.71 -72.56 10.94 -27.41 -74.06 coo -9.52 75.74 33.62 -8.85 73.74 33.93 4.17 -39.92 -73.48 6.27 -39.73 -73.56 coo -4.44 67.20 42.32 -7.50 62.41 40.49 4.13 -39.33 -88.23 6.19 -44.05 -91.97 ULMN 3 1ax4_c06 TRYPTOPHANASE user 19 3 # 19 C 130 PHE B 102 PHE^? 1000.00 C 223 ASP B 10 ASP^? 1000.00 C 265 LYS B 23 LYS^? 1000.00 coo -6.55 73.45 23.60 -6.77 71.48 21.66 10.47 -29.71 -72.56 10.94 -27.41 -74.06 coo -9.52 75.74 33.62 -8.85 73.74 33.93 4.17 -39.92 -73.48 6.27 -39.73 -73.56 coo -4.44 67.20 42.32 -7.50 62.41 40.49 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 ULMN 3 1ax4_c06 TRYPTOPHANASE user 20 3 # 20 C 130 PHE B 128 PHE^? 1000.00 C 223 ASP B 10 ASP^? 1000.00 C 265 LYS B 22 LYS^? 1000.00 coo -6.55 73.45 23.60 -6.77 71.48 21.66 3.54 -27.82 -73.26 1.86 -28.99 -75.12 coo -9.52 75.74 33.62 -8.85 73.74 33.93 4.17 -39.92 -73.48 6.27 -39.73 -73.56 coo -4.44 67.20 42.32 -7.50 62.41 40.49 4.13 -39.33 -88.23 6.19 -44.05 -91.97 1ax4_c06 source 1ax4 TRYPTOPHANASE : 20 hits 1ax4_c06 naa= 3 ULMN 3 1ax4_c07 TRYPTOPHANASE user 1 3 # 1 D 130 PHE A 30 PHE.? 1000.00 D 223 ASP A 4 ASP^? 1000.00 D 265 LYS A 22 LYS~? 1000.00 coo -38.60 55.38 52.70 -40.06 57.72 53.04 14.78 -19.77 -29.14 12.90 -21.41 -27.95 coo -29.46 51.67 48.51 -28.63 53.31 49.56 19.46 -21.33 -18.77 18.88 -20.63 -16.86 coo -18.87 56.53 54.79 -19.47 62.22 53.03 31.99 -23.27 -21.33 35.03 -27.43 -17.58 ULMN 3 1ax4_c07 TRYPTOPHANASE user 2 3 # 2 D 130 PHE A 30 PHE.? 1000.00 D 223 ASP A 4 ASP^? 1000.00 D 265 LYS A 23 LYS.? 1000.00 coo -38.60 55.38 52.70 -40.06 57.72 53.04 14.78 -19.77 -29.14 12.90 -21.41 -27.95 coo -29.46 51.67 48.51 -28.63 53.31 49.56 19.46 -21.33 -18.77 18.88 -20.63 -16.86 coo -18.87 56.53 54.79 -19.47 62.22 53.03 32.67 -20.15 -23.43 38.88 -20.02 -24.22 ULMN 3 1ax4_c07 TRYPTOPHANASE user 3 3 # 3 D 130 PHE A 30 PHE.? 1000.00 D 223 ASP A 127 ASP^? 1000.00 D 265 LYS A 69 LYS^? 1000.00 coo -38.60 55.38 52.70 -40.06 57.72 53.04 14.78 -19.77 -29.14 12.90 -21.41 -27.95 coo -29.46 51.67 48.51 -28.63 53.31 49.56 18.62 -12.41 -38.39 16.82 -11.65 -37.54 coo -18.87 56.53 54.79 -19.47 62.22 53.03 32.90 -11.51 -34.53 36.58 -11.70 -35.14 ULMN 3 1ax4_c07 TRYPTOPHANASE user 4 3 # 4 D 130 PHE A 95 PHE^? 1000.00 D 223 ASP A 4 ASP^? 1000.00 D 265 LYS A 23 LYS.? 1000.00 coo -38.60 55.38 52.70 -40.06 57.72 53.04 18.34 -32.59 -18.81 15.65 -33.01 -18.37 coo -29.46 51.67 48.51 -28.63 53.31 49.56 19.46 -21.33 -18.77 18.88 -20.63 -16.86 coo -18.87 56.53 54.79 -19.47 62.22 53.03 32.67 -20.15 -23.43 38.88 -20.02 -24.22 ULMN 3 1ax4_c07 TRYPTOPHANASE user 5 3 # 5 D 130 PHE A 97 PHE^? 1000.00 D 223 ASP A 4 ASP^? 1000.00 D 265 LYS A 22 LYS~? 1000.00 coo -38.60 55.38 52.70 -40.06 57.72 53.04 14.16 -28.67 -22.02 13.82 -25.93 -21.87 coo -29.46 51.67 48.51 -28.63 53.31 49.56 19.46 -21.33 -18.77 18.88 -20.63 -16.86 coo -18.87 56.53 54.79 -19.47 62.22 53.03 31.99 -23.27 -21.33 35.03 -27.43 -17.58 ULMN 3 1ax4_c07 TRYPTOPHANASE user 6 3 # 6 D 130 PHE A 97 PHE^? 1000.00 D 223 ASP A 4 ASP^? 1000.00 D 265 LYS A 23 LYS.? 1000.00 coo -38.60 55.38 52.70 -40.06 57.72 53.04 14.16 -28.67 -22.02 13.82 -25.93 -21.87 coo -29.46 51.67 48.51 -28.63 53.31 49.56 19.46 -21.33 -18.77 18.88 -20.63 -16.86 coo -18.87 56.53 54.79 -19.47 62.22 53.03 32.67 -20.15 -23.43 38.88 -20.02 -24.22 ULMN 3 1ax4_c07 TRYPTOPHANASE user 7 3 # 7 D 130 PHE A 97 PHE^? 1000.00 D 223 ASP A 4 ASP^? 1000.00 D 265 LYS A 61 LYS^? 1000.00 coo -38.60 55.38 52.70 -40.06 57.72 53.04 14.16 -28.67 -22.02 13.82 -25.93 -21.87 coo -29.46 51.67 48.51 -28.63 53.31 49.56 19.46 -21.33 -18.77 18.88 -20.63 -16.86 coo -18.87 56.53 54.79 -19.47 62.22 53.03 21.64 -11.48 -26.11 26.63 -11.26 -28.52 ULMN 3 1ax4_c07 TRYPTOPHANASE user 8 3 # 8 D 130 PHE A 102 PHE^? 1000.00 D 223 ASP A 10 ASP.? 1000.00 D 265 LYS A 22 LYS~? 1000.00 coo -38.60 55.38 52.70 -40.06 57.72 53.04 20.49 -23.92 -36.98 18.27 -23.18 -35.48 coo -29.46 51.67 48.51 -28.63 53.31 49.56 32.49 -23.60 -36.06 31.26 -25.30 -35.99 coo -18.87 56.53 54.79 -19.47 62.22 53.03 31.99 -23.27 -21.33 35.03 -27.43 -17.58 ULMN 3 1ax4_c07 TRYPTOPHANASE user 9 3 # 9 D 130 PHE A 102 PHE^? 1000.00 D 223 ASP A 10 ASP.? 1000.00 D 265 LYS A 23 LYS.? 1000.00 coo -38.60 55.38 52.70 -40.06 57.72 53.04 20.49 -23.92 -36.98 18.27 -23.18 -35.48 coo -29.46 51.67 48.51 -28.63 53.31 49.56 32.49 -23.60 -36.06 31.26 -25.30 -35.99 coo -18.87 56.53 54.79 -19.47 62.22 53.03 32.67 -20.15 -23.43 38.88 -20.02 -24.22 ULMN 3 1ax4_c07 TRYPTOPHANASE user 10 3 # 10 D 130 PHE A 128 PHE^? 1000.00 D 223 ASP A 10 ASP.? 1000.00 D 265 LYS A 22 LYS~? 1000.00 coo -38.60 55.38 52.70 -40.06 57.72 53.04 22.32 -16.99 -36.28 24.17 -16.12 -34.42 coo -29.46 51.67 48.51 -28.63 53.31 49.56 32.49 -23.60 -36.06 31.26 -25.30 -35.99 coo -18.87 56.53 54.79 -19.47 62.22 53.03 31.99 -23.27 -21.33 35.03 -27.43 -17.58 ULMN 3 1ax4_c07 TRYPTOPHANASE user 11 3 # 11 D 130 PHE B 30 PHE^? 1000.00 D 223 ASP B 4 ASP^? 1000.00 D 265 LYS B 22 LYS^? 1000.00 coo -38.60 55.38 52.70 -40.06 57.72 53.04 9.71 -22.69 -80.41 12.09 -21.91 -81.59 coo -29.46 51.67 48.51 -28.63 53.31 49.56 8.72 -27.52 -90.78 8.40 -26.67 -92.69 coo -18.87 56.53 54.79 -19.47 62.22 53.03 4.13 -39.33 -88.23 6.19 -44.05 -91.97 ULMN 3 1ax4_c07 TRYPTOPHANASE user 12 3 # 12 D 130 PHE B 30 PHE^? 1000.00 D 223 ASP B 4 ASP^? 1000.00 D 265 LYS B 23 LYS^? 1000.00 coo -38.60 55.38 52.70 -40.06 57.72 53.04 9.71 -22.69 -80.41 12.09 -21.91 -81.59 coo -29.46 51.67 48.51 -28.63 53.31 49.56 8.72 -27.52 -90.78 8.40 -26.67 -92.69 coo -18.87 56.53 54.79 -19.47 62.22 53.03 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 ULMN 3 1ax4_c07 TRYPTOPHANASE user 13 3 # 13 D 130 PHE B 30 PHE^? 1000.00 D 223 ASP B 127 ASP^? 1000.00 D 265 LYS B 69 LYS^? 1000.00 coo -38.60 55.38 52.70 -40.06 57.72 53.04 9.71 -22.69 -80.41 12.09 -21.91 -81.59 coo -29.46 51.67 48.51 -28.63 53.31 49.56 1.44 -22.32 -71.15 1.70 -20.39 -72.00 coo -18.87 56.53 54.79 -19.47 62.22 53.03 -6.51 -34.23 -75.02 -8.20 -37.51 -74.40 ULMN 3 1ax4_c07 TRYPTOPHANASE user 14 3 # 14 D 130 PHE B 95 PHE^? 1000.00 D 223 ASP B 4 ASP^? 1000.00 D 265 LYS B 23 LYS^? 1000.00 coo -38.60 55.38 52.70 -40.06 57.72 53.04 19.02 -32.18 -90.75 20.72 -30.05 -91.18 coo -29.46 51.67 48.51 -28.63 53.31 49.56 8.72 -27.52 -90.78 8.40 -26.67 -92.69 coo -18.87 56.53 54.79 -19.47 62.22 53.03 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 ULMN 3 1ax4_c07 TRYPTOPHANASE user 15 3 # 15 D 130 PHE B 97 PHE^? 1000.00 D 223 ASP B 4 ASP^? 1000.00 D 265 LYS B 22 LYS^? 1000.00 coo -38.60 55.38 52.70 -40.06 57.72 53.04 17.74 -26.61 -87.53 15.53 -24.94 -87.68 coo -29.46 51.67 48.51 -28.63 53.31 49.56 8.72 -27.52 -90.78 8.40 -26.67 -92.69 coo -18.87 56.53 54.79 -19.47 62.22 53.03 4.13 -39.33 -88.23 6.19 -44.05 -91.97 ULMN 3 1ax4_c07 TRYPTOPHANASE user 16 3 # 16 D 130 PHE B 97 PHE^? 1000.00 D 223 ASP B 4 ASP^? 1000.00 D 265 LYS B 23 LYS^? 1000.00 coo -38.60 55.38 52.70 -40.06 57.72 53.04 17.74 -26.61 -87.53 15.53 -24.94 -87.68 coo -29.46 51.67 48.51 -28.63 53.31 49.56 8.72 -27.52 -90.78 8.40 -26.67 -92.69 coo -18.87 56.53 54.79 -19.47 62.22 53.03 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 ULMN 3 1ax4_c07 TRYPTOPHANASE user 17 3 # 17 D 130 PHE B 97 PHE^? 1000.00 D 223 ASP B 4 ASP^? 1000.00 D 265 LYS B 61 LYS^? 1000.00 coo -38.60 55.38 52.70 -40.06 57.72 53.04 17.74 -26.61 -87.53 15.53 -24.94 -87.68 coo -29.46 51.67 48.51 -28.63 53.31 49.56 8.72 -27.52 -90.78 8.40 -26.67 -92.69 coo -18.87 56.53 54.79 -19.47 62.22 53.03 -0.89 -24.47 -83.43 -3.57 -28.69 -81.00 ULMN 3 1ax4_c07 TRYPTOPHANASE user 18 3 # 18 D 130 PHE B 102 PHE^? 1000.00 D 223 ASP B 10 ASP^? 1000.00 D 265 LYS B 22 LYS^? 1000.00 coo -38.60 55.38 52.70 -40.06 57.72 53.04 10.47 -29.71 -72.56 10.94 -27.41 -74.06 coo -29.46 51.67 48.51 -28.63 53.31 49.56 4.17 -39.92 -73.48 6.27 -39.73 -73.56 coo -18.87 56.53 54.79 -19.47 62.22 53.03 4.13 -39.33 -88.23 6.19 -44.05 -91.97 ULMN 3 1ax4_c07 TRYPTOPHANASE user 19 3 # 19 D 130 PHE B 102 PHE^? 1000.00 D 223 ASP B 10 ASP^? 1000.00 D 265 LYS B 23 LYS^? 1000.00 coo -38.60 55.38 52.70 -40.06 57.72 53.04 10.47 -29.71 -72.56 10.94 -27.41 -74.06 coo -29.46 51.67 48.51 -28.63 53.31 49.56 4.17 -39.92 -73.48 6.27 -39.73 -73.56 coo -18.87 56.53 54.79 -19.47 62.22 53.03 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 ULMN 3 1ax4_c07 TRYPTOPHANASE user 20 3 # 20 D 130 PHE B 128 PHE^? 1000.00 D 223 ASP B 10 ASP^? 1000.00 D 265 LYS B 22 LYS^? 1000.00 coo -38.60 55.38 52.70 -40.06 57.72 53.04 3.54 -27.82 -73.26 1.86 -28.99 -75.12 coo -29.46 51.67 48.51 -28.63 53.31 49.56 4.17 -39.92 -73.48 6.27 -39.73 -73.56 coo -18.87 56.53 54.79 -19.47 62.22 53.03 4.13 -39.33 -88.23 6.19 -44.05 -91.97 1ax4_c07 source 1ax4 TRYPTOPHANASE : 20 hits 1ax4_c07 naa= 3 ULMN 3 1ay4_c02 AROMATIC AMINO ACID AMINOTRANSFERASEuser 1 3 # 1 A 140 TRP A 32 TRP.? 1000.00 A 222 ASP A 127 ASP^? 1000.00 A 258 LYS A 131 LYS^? 1000.00 coo 89.83 15.40 0.01 90.61 18.86 1.71 14.08 -21.71 -36.71 11.66 -24.80 -36.55 coo 82.92 20.43 2.47 84.82 20.45 1.55 18.62 -12.41 -38.39 16.82 -11.65 -37.54 coo 89.09 24.00 -8.81 89.39 20.33 -4.16 20.68 -24.51 -44.83 21.09 -22.52 -49.85 ULMN 3 1ay4_c02 AROMATIC AMINO ACID AMINOTRANSFERASEuser 2 3 # 2 A 140 TRP B 32 TRP^? 1000.00 A 222 ASP B 127 ASP^? 1000.00 A 258 LYS B 131 LYS^? 1000.00 coo 89.83 15.40 0.01 90.61 18.86 1.71 11.76 -23.05 -72.84 15.65 -22.52 -73.00 coo 82.92 20.43 2.47 84.82 20.45 1.55 1.44 -22.32 -71.15 1.70 -20.39 -72.00 coo 89.09 24.00 -8.81 89.39 20.33 -4.16 10.88 -30.17 -64.72 8.95 -29.51 -59.71 1ay4_c02 source 1ay4 AROMATIC AMINO ACID AMINOTRANSFERASE : 2 hits 1ay4_c02 naa= 3 ULMN 3 1ay4_c03 AROMATIC AMINO ACID AMINOTRANSFERASEuser 1 3 # 1 B 140 TRP A 32 TRP.? 1000.00 B 222 ASP A 127 ASP^? 1000.00 B 258 LYS A 131 LYS^? 1000.00 coo 103.45 44.39 16.20 102.66 41.02 14.32 14.08 -21.71 -36.71 11.66 -24.80 -36.55 coo 110.10 38.66 15.58 108.40 39.41 14.53 18.62 -12.41 -38.39 16.82 -11.65 -37.54 coo 107.51 45.54 4.76 105.41 44.51 10.25 20.68 -24.51 -44.83 21.09 -22.52 -49.85 ULMN 3 1ay4_c03 AROMATIC AMINO ACID AMINOTRANSFERASEuser 2 3 # 2 B 140 TRP B 32 TRP^? 1000.00 B 222 ASP B 127 ASP^? 1000.00 B 258 LYS B 131 LYS^? 1000.00 coo 103.45 44.39 16.20 102.66 41.02 14.32 11.76 -23.05 -72.84 15.65 -22.52 -73.00 coo 110.10 38.66 15.58 108.40 39.41 14.53 1.44 -22.32 -71.15 1.70 -20.39 -72.00 coo 107.51 45.54 4.76 105.41 44.51 10.25 10.88 -30.17 -64.72 8.95 -29.51 -59.71 1ay4_c03 source 1ay4 AROMATIC AMINO ACID AMINOTRANSFERASE : 2 hits 1ay4_c03 naa= 3 ULMN 3 1b8g_c04 1-AMINOCYCLOPROPANE-1-CARBOXYLATE SYuser 1 3 # 1 A 145 TYR A 110 TYR^? 1000.00 A 230 ASP A 127 ASP^? 1000.00 A 273 LYS A 61 LYS^? 1000.00 coo 9.23 21.44 106.88 10.18 19.34 105.31 25.37 -7.28 -35.31 26.28 -6.16 -32.97 coo 1.45 22.80 104.16 2.58 21.02 104.01 18.62 -12.41 -38.39 16.82 -11.65 -37.54 coo 2.97 11.64 107.87 6.59 15.13 107.03 21.64 -11.48 -26.11 26.63 -11.26 -28.52 ULMN 3 1b8g_c04 1-AMINOCYCLOPROPANE-1-CARBOXYLATE SYuser 2 3 # 2 A 145 TYR B 110 TYR^? 1000.00 A 230 ASP B 127 ASP^? 1000.00 A 273 LYS B 61 LYS^? 1000.00 coo 9.23 21.44 106.88 10.18 19.34 105.31 -6.38 -25.61 -74.23 -7.82 -25.83 -76.58 coo 1.45 22.80 104.16 2.58 21.02 104.01 1.44 -22.32 -71.15 1.70 -20.39 -72.00 coo 2.97 11.64 107.87 6.59 15.13 107.03 -0.89 -24.47 -83.43 -3.57 -28.69 -81.00 1b8g_c04 source 1b8g 1-AMINOCYCLOPROPANE-1-CARBOXYLATE SYNTHASE : 2 hits 1b8g_c04 naa= 3 ULMN 3 1b8g_c05 1-AMINOCYCLOPROPANE-1-CARBOXYLATE SYuser 1 3 # 1 B 145 TYR A 110 TYR^? 1000.00 B 230 ASP A 127 ASP^? 1000.00 B 273 LYS A 61 LYS^? 1000.00 coo 11.81 13.41 73.03 10.00 13.03 75.12 25.37 -7.28 -35.31 26.28 -6.16 -32.97 coo 19.17 11.01 76.14 17.26 10.42 76.77 18.62 -12.41 -38.39 16.82 -11.65 -37.54 coo 11.10 2.31 76.60 10.24 7.24 75.62 21.64 -11.48 -26.11 26.63 -11.26 -28.52 ULMN 3 1b8g_c05 1-AMINOCYCLOPROPANE-1-CARBOXYLATE SYuser 2 3 # 2 B 145 TYR B 110 TYR^? 1000.00 B 230 ASP B 127 ASP^? 1000.00 B 273 LYS B 61 LYS^? 1000.00 coo 11.81 13.41 73.03 10.00 13.03 75.12 -6.38 -25.61 -74.23 -7.82 -25.83 -76.58 coo 19.17 11.01 76.14 17.26 10.42 76.77 1.44 -22.32 -71.15 1.70 -20.39 -72.00 coo 11.10 2.31 76.60 10.24 7.24 75.62 -0.89 -24.47 -83.43 -3.57 -28.69 -81.00 1b8g_c05 source 1b8g 1-AMINOCYCLOPROPANE-1-CARBOXYLATE SYNTHASE : 2 hits 1b8g_c05 naa= 3 ULMN 3 1b9h_c02 3-AMINO-5-HYDROXYBENZOIC ACID SYNTHAuser 1 3 # 1 A 88 PHE A 30 PHE.? 1000.00 A 159 ASP A 4 ASP^? 1000.00 A 188 LYS A 8 LYS^? 1000.00 coo 13.91 34.58 14.67 12.95 36.00 12.47 14.78 -19.77 -29.14 12.90 -21.41 -27.95 coo 20.97 28.40 16.26 20.19 30.15 15.34 19.46 -21.33 -18.77 18.88 -20.63 -16.86 coo 22.55 41.65 15.60 18.92 37.20 14.63 27.50 -22.43 -30.09 31.82 -26.84 -29.34 ULMN 3 1b9h_c02 3-AMINO-5-HYDROXYBENZOIC ACID SYNTHAuser 2 3 # 2 A 88 PHE A 30 PHE.? 1000.00 A 159 ASP A 4 ASP^? 1000.00 A 188 LYS A 61 LYS^? 1000.00 coo 13.91 34.58 14.67 12.95 36.00 12.47 14.78 -19.77 -29.14 12.90 -21.41 -27.95 coo 20.97 28.40 16.26 20.19 30.15 15.34 19.46 -21.33 -18.77 18.88 -20.63 -16.86 coo 22.55 41.65 15.60 18.92 37.20 14.63 21.64 -11.48 -26.11 26.63 -11.26 -28.52 ULMN 3 1b9h_c02 3-AMINO-5-HYDROXYBENZOIC ACID SYNTHAuser 3 3 # 3 A 88 PHE B 30 PHE^? 1000.00 A 159 ASP B 4 ASP^? 1000.00 A 188 LYS B 8 LYS^? 1000.00 coo 13.91 34.58 14.67 12.95 36.00 12.47 9.71 -22.69 -80.41 12.09 -21.91 -81.59 coo 20.97 28.40 16.26 20.19 30.15 15.34 8.72 -27.52 -90.78 8.40 -26.67 -92.69 coo 22.55 41.65 15.60 18.92 37.20 14.63 5.64 -35.04 -79.46 7.30 -40.97 -80.23 ULMN 3 1b9h_c02 3-AMINO-5-HYDROXYBENZOIC ACID SYNTHAuser 4 3 # 4 A 88 PHE B 30 PHE^? 1000.00 A 159 ASP B 4 ASP^? 1000.00 A 188 LYS B 61 LYS^? 1000.00 coo 13.91 34.58 14.67 12.95 36.00 12.47 9.71 -22.69 -80.41 12.09 -21.91 -81.59 coo 20.97 28.40 16.26 20.19 30.15 15.34 8.72 -27.52 -90.78 8.40 -26.67 -92.69 coo 22.55 41.65 15.60 18.92 37.20 14.63 -0.89 -24.47 -83.43 -3.57 -28.69 -81.00 1b9h_c02 source 1b9h 3-AMINO-5-HYDROXYBENZOIC ACID SYNTHASE : 4 hits 1b9h_c02 naa= 3 ULMN 3 1bbs_c06 RENIN user 1 3 # 1 32 ASP A 18 ASP~? 1000.00 35 SER A 16 SER.? 1000.00 215 ASP A 4 ASP^? 1000.00 coo 61.19 45.85 78.73 62.86 45.48 77.48 26.87 -23.27 -16.72 26.31 -23.96 -18.62 coo 66.00 46.17 80.29 64.31 47.92 79.91 29.28 -18.48 -20.76 27.76 -20.30 -20.33 coo 63.61 40.10 74.06 64.05 42.07 74.70 19.46 -21.33 -18.77 18.88 -20.63 -16.86 ULMN 3 1bbs_c06 RENIN user 2 3 # 2 32 ASP A 64 ASP^? 1000.00 35 SER A 67 SER^? 1000.00 215 ASP A 13 ASP.? 1000.00 coo 61.19 45.85 78.73 62.86 45.48 77.48 29.43 -11.47 -24.77 28.22 -12.20 -26.29 coo 66.00 46.17 80.29 64.31 47.92 79.91 29.87 -9.30 -30.54 29.24 -8.38 -28.41 coo 63.61 40.10 74.06 64.05 42.07 74.70 35.39 -17.87 -27.45 36.78 -19.31 -28.08 ULMN 3 1bbs_c06 RENIN user 3 3 # 3 32 ASP B 18 ASP^? 1000.00 35 SER B 16 SER^? 1000.00 215 ASP B 4 ASP^? 1000.00 coo 61.19 45.85 78.73 62.86 45.48 77.48 6.68 -34.89 -92.82 7.57 -34.75 -90.92 coo 66.00 46.17 80.29 64.31 47.92 79.91 1.34 -34.60 -88.79 3.68 -34.16 -89.21 coo 63.61 40.10 74.06 64.05 42.07 74.70 8.72 -27.52 -90.78 8.40 -26.67 -92.69 ULMN 3 1bbs_c06 RENIN user 4 3 # 4 32 ASP B 64 ASP^? 1000.00 35 SER B 67 SER^? 1000.00 215 ASP B 13 ASP^? 1000.00 coo 61.19 45.85 78.73 62.86 45.48 77.48 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 coo 66.00 46.17 80.29 64.31 47.92 79.91 -6.90 -30.50 -78.99 -7.38 -29.51 -81.14 coo 63.61 40.10 74.06 64.05 42.07 74.70 -2.24 -39.57 -82.10 -1.69 -41.51 -81.47 1bbs_c06 source 1bbs RENIN : 4 hits 1bbs_c06 naa= 3 ULMN 3 1bbs_c07 RENIN user 1 3 # 1 32 ASP A 18 ASP~? 1000.00 35 SER A 16 SER.? 1000.00 215 ASP A 4 ASP^? 1000.00 coo 61.19 45.85 78.73 62.86 45.48 77.48 26.87 -23.27 -16.72 26.31 -23.96 -18.62 coo 66.00 46.17 80.29 64.31 47.92 79.91 29.28 -18.48 -20.76 27.76 -20.30 -20.33 coo 63.61 40.10 74.06 64.05 42.07 74.70 19.46 -21.33 -18.77 18.88 -20.63 -16.86 ULMN 3 1bbs_c07 RENIN user 2 3 # 2 32 ASP A 64 ASP^? 1000.00 35 SER A 67 SER^? 1000.00 215 ASP A 13 ASP.? 1000.00 coo 61.19 45.85 78.73 62.86 45.48 77.48 29.43 -11.47 -24.77 28.22 -12.20 -26.29 coo 66.00 46.17 80.29 64.31 47.92 79.91 29.87 -9.30 -30.54 29.24 -8.38 -28.41 coo 63.61 40.10 74.06 64.05 42.07 74.70 35.39 -17.87 -27.45 36.78 -19.31 -28.08 ULMN 3 1bbs_c07 RENIN user 3 3 # 3 32 ASP B 18 ASP^? 1000.00 35 SER B 16 SER^? 1000.00 215 ASP B 4 ASP^? 1000.00 coo 61.19 45.85 78.73 62.86 45.48 77.48 6.68 -34.89 -92.82 7.57 -34.75 -90.92 coo 66.00 46.17 80.29 64.31 47.92 79.91 1.34 -34.60 -88.79 3.68 -34.16 -89.21 coo 63.61 40.10 74.06 64.05 42.07 74.70 8.72 -27.52 -90.78 8.40 -26.67 -92.69 ULMN 3 1bbs_c07 RENIN user 4 3 # 4 32 ASP B 64 ASP^? 1000.00 35 SER B 67 SER^? 1000.00 215 ASP B 13 ASP^? 1000.00 coo 61.19 45.85 78.73 62.86 45.48 77.48 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 coo 66.00 46.17 80.29 64.31 47.92 79.91 -6.90 -30.50 -78.99 -7.38 -29.51 -81.14 coo 63.61 40.10 74.06 64.05 42.07 74.70 -2.24 -39.57 -82.10 -1.69 -41.51 -81.47 1bbs_c07 source 1bbs RENIN : 4 hits 1bbs_c07 naa= 3 ULMN 3 1be1_c02 GLUTAMATE MUTASE user 1 3 # 1 14 ASP A 4 ASP^? 1000.00 16 HIS A 21 HIS~? 1000.00 67 GLY A 148 GLY^? 1000.00 coo -11.04 -6.46 -7.27 -10.57 -4.40 -7.48 19.46 -21.33 -18.77 18.88 -20.63 -16.86 coo -6.73 -11.42 -7.86 -5.41 -11.61 -6.26 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo 10.06 -0.59 -9.79 9.66 -0.34 -9.05 13.89 -40.76 -23.20 13.64 -40.00 -23.01 ULMN 3 1be1_c02 GLUTAMATE MUTASE user 2 3 # 2 14 ASP A 4 ASP^? 1000.00 16 HIS A 21 HIS~? 1000.00 67 GLY A 151 GLY^? 1000.00 coo -11.04 -6.46 -7.27 -10.57 -4.40 -7.48 19.46 -21.33 -18.77 18.88 -20.63 -16.86 coo -6.73 -11.42 -7.86 -5.41 -11.61 -6.26 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo 10.06 -0.59 -9.79 9.66 -0.34 -9.05 13.65 -38.82 -32.15 13.56 -38.10 -31.82 ULMN 3 1be1_c02 GLUTAMATE MUTASE user 3 3 # 3 14 ASP A 4 ASP^? 1000.00 16 HIS A 21 HIS~? 1000.00 67 GLY A 154 GLY^? 1000.00 coo -11.04 -6.46 -7.27 -10.57 -4.40 -7.48 19.46 -21.33 -18.77 18.88 -20.63 -16.86 coo -6.73 -11.42 -7.86 -5.41 -11.61 -6.26 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo 10.06 -0.59 -9.79 9.66 -0.34 -9.05 14.81 -32.06 -39.11 14.46 -32.66 -39.56 ULMN 3 1be1_c02 GLUTAMATE MUTASE user 4 3 # 4 14 ASP A 18 ASP~? 1000.00 16 HIS A 21 HIS~? 1000.00 67 GLY A 147 GLY^? 1000.00 coo -11.04 -6.46 -7.27 -10.57 -4.40 -7.48 26.87 -23.27 -16.72 26.31 -23.96 -18.62 coo -6.73 -11.42 -7.86 -5.41 -11.61 -6.26 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo 10.06 -0.59 -9.79 9.66 -0.34 -9.05 13.40 -39.24 -19.76 14.03 -38.80 -20.16 ULMN 3 1be1_c02 GLUTAMATE MUTASE user 5 3 # 5 14 ASP A 18 ASP~? 1000.00 16 HIS A 21 HIS~? 1000.00 67 GLY A 148 GLY^? 1000.00 coo -11.04 -6.46 -7.27 -10.57 -4.40 -7.48 26.87 -23.27 -16.72 26.31 -23.96 -18.62 coo -6.73 -11.42 -7.86 -5.41 -11.61 -6.26 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo 10.06 -0.59 -9.79 9.66 -0.34 -9.05 13.89 -40.76 -23.20 13.64 -40.00 -23.01 ULMN 3 1be1_c02 GLUTAMATE MUTASE user 6 3 # 6 14 ASP A 19 ASP~? 1000.00 16 HIS A 21 HIS~? 1000.00 67 GLY A 147 GLY^? 1000.00 coo -11.04 -6.46 -7.27 -10.57 -4.40 -7.48 29.74 -27.57 -15.65 30.35 -27.04 -13.70 coo -6.73 -11.42 -7.86 -5.41 -11.61 -6.26 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo 10.06 -0.59 -9.79 9.66 -0.34 -9.05 13.40 -39.24 -19.76 14.03 -38.80 -20.16 ULMN 3 1be1_c02 GLUTAMATE MUTASE user 7 3 # 7 14 ASP A 19 ASP~? 1000.00 16 HIS A 21 HIS~? 1000.00 67 GLY A 148 GLY^? 1000.00 coo -11.04 -6.46 -7.27 -10.57 -4.40 -7.48 29.74 -27.57 -15.65 30.35 -27.04 -13.70 coo -6.73 -11.42 -7.86 -5.41 -11.61 -6.26 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo 10.06 -0.59 -9.79 9.66 -0.34 -9.05 13.89 -40.76 -23.20 13.64 -40.00 -23.01 ULMN 3 1be1_c02 GLUTAMATE MUTASE user 8 3 # 8 14 ASP B 4 ASP^? 1000.00 16 HIS B 21 HIS^? 1000.00 67 GLY B 148 GLY^? 1000.00 coo -11.04 -6.46 -7.27 -10.57 -4.40 -7.48 8.72 -27.52 -90.78 8.40 -26.67 -92.69 coo -6.73 -11.42 -7.86 -5.41 -11.61 -6.26 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo 10.06 -0.59 -9.79 9.66 -0.34 -9.05 28.33 -32.43 -86.36 27.79 -31.82 -86.54 ULMN 3 1be1_c02 GLUTAMATE MUTASE user 9 3 # 9 14 ASP B 4 ASP^? 1000.00 16 HIS B 21 HIS^? 1000.00 67 GLY B 151 GLY^? 1000.00 coo -11.04 -6.46 -7.27 -10.57 -4.40 -7.48 8.72 -27.52 -90.78 8.40 -26.67 -92.69 coo -6.73 -11.42 -7.86 -5.41 -11.61 -6.26 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo 10.06 -0.59 -9.79 9.66 -0.34 -9.05 26.78 -31.24 -77.41 26.20 -30.80 -77.74 ULMN 3 1be1_c02 GLUTAMATE MUTASE user 10 3 # 10 14 ASP B 4 ASP^? 1000.00 16 HIS B 21 HIS^? 1000.00 67 GLY B 154 GLY^? 1000.00 coo -11.04 -6.46 -7.27 -10.57 -4.40 -7.48 8.72 -27.52 -90.78 8.40 -26.67 -92.69 coo -6.73 -11.42 -7.86 -5.41 -11.61 -6.26 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo 10.06 -0.59 -9.79 9.66 -0.34 -9.05 20.35 -28.87 -70.45 21.04 -28.86 -70.00 ULMN 3 1be1_c02 GLUTAMATE MUTASE user 11 3 # 11 14 ASP B 18 ASP^? 1000.00 16 HIS B 21 HIS^? 1000.00 67 GLY B 147 GLY^? 1000.00 coo -11.04 -6.46 -7.27 -10.57 -4.40 -7.48 6.68 -34.89 -92.82 7.57 -34.75 -90.92 coo -6.73 -11.42 -7.86 -5.41 -11.61 -6.26 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo 10.06 -0.59 -9.79 9.66 -0.34 -9.05 27.26 -31.23 -89.80 26.56 -31.56 -89.40 ULMN 3 1be1_c02 GLUTAMATE MUTASE user 12 3 # 12 14 ASP B 18 ASP^? 1000.00 16 HIS B 21 HIS^? 1000.00 67 GLY B 148 GLY^? 1000.00 coo -11.04 -6.46 -7.27 -10.57 -4.40 -7.48 6.68 -34.89 -92.82 7.57 -34.75 -90.92 coo -6.73 -11.42 -7.86 -5.41 -11.61 -6.26 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo 10.06 -0.59 -9.79 9.66 -0.34 -9.05 28.33 -32.43 -86.36 27.79 -31.82 -86.54 ULMN 3 1be1_c02 GLUTAMATE MUTASE user 13 3 # 13 14 ASP B 19 ASP^? 1000.00 16 HIS B 21 HIS^? 1000.00 67 GLY B 147 GLY^? 1000.00 coo -11.04 -6.46 -7.27 -10.57 -4.40 -7.48 8.97 -39.53 -93.90 8.21 -39.80 -95.86 coo -6.73 -11.42 -7.86 -5.41 -11.61 -6.26 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo 10.06 -0.59 -9.79 9.66 -0.34 -9.05 27.26 -31.23 -89.80 26.56 -31.56 -89.40 ULMN 3 1be1_c02 GLUTAMATE MUTASE user 14 3 # 14 14 ASP B 19 ASP^? 1000.00 16 HIS B 21 HIS^? 1000.00 67 GLY B 148 GLY^? 1000.00 coo -11.04 -6.46 -7.27 -10.57 -4.40 -7.48 8.97 -39.53 -93.90 8.21 -39.80 -95.86 coo -6.73 -11.42 -7.86 -5.41 -11.61 -6.26 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo 10.06 -0.59 -9.79 9.66 -0.34 -9.05 28.33 -32.43 -86.36 27.79 -31.82 -86.54 1be1_c02 source 1be1 GLUTAMATE MUTASE : 14 hits 1be1_c02 naa= 3 ULMN 3 1bf2_c00 ISOAMYLASE user 1 3 # 1 375 ASP A 64 ASP^? 1000.00 435 GLU A 15 GLU.? 1000.00 510 ASP A 13 ASP.? 1000.00 coo 88.62 69.90 41.16 89.05 70.67 43.04 29.43 -11.47 -24.77 28.22 -12.20 -26.29 coo 89.52 76.11 40.17 89.01 75.16 41.97 31.83 -13.52 -21.46 31.81 -11.49 -22.03 coo 84.89 77.60 46.67 85.63 75.79 46.03 35.39 -17.87 -27.45 36.78 -19.31 -28.08 ULMN 3 1bf2_c00 ISOAMYLASE user 2 3 # 2 375 ASP B 64 ASP^? 1000.00 435 GLU B 15 GLU^? 1000.00 510 ASP B 13 ASP^? 1000.00 coo 88.62 69.90 41.16 89.05 70.67 43.04 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 coo 89.52 76.11 40.17 89.01 75.16 41.97 -4.24 -34.31 -88.08 -5.97 -33.27 -87.50 coo 84.89 77.60 46.67 85.63 75.79 46.03 -2.24 -39.57 -82.10 -1.69 -41.51 -81.47 1bf2_c00 source 1bf2 ISOAMYLASE : 2 hits 1bf2_c00 naa= 3 ULMN 3 1bgl_c08 BETA-GALACTOSIDASE user 1 3 # 1 A 461 GLU A 15 GLU.? 1000.00 A 503 TYR A 6 TYR^? 1000.00 A 537 GLU A 26 GLU^? 1000.00 coo 24.06 146.21 11.09 22.89 146.18 9.36 31.83 -13.52 -21.46 31.81 -11.49 -22.03 coo 15.91 140.69 8.32 15.71 143.39 9.13 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo 16.65 144.44 13.24 18.34 145.22 12.33 25.58 -17.25 -21.04 25.74 -16.50 -19.06 ULMN 3 1bgl_c08 BETA-GALACTOSIDASE user 2 3 # 2 A 461 GLU A 84 GLU^? 1000.00 A 503 TYR A 6 TYR^? 1000.00 A 537 GLU A 86 GLU^? 1000.00 coo 24.06 146.21 11.09 22.89 146.18 9.36 25.54 -27.52 -32.09 27.26 -28.36 -31.17 coo 15.91 140.69 8.32 15.71 143.39 9.13 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo 16.65 144.44 13.24 18.34 145.22 12.33 21.78 -27.43 -25.47 23.65 -28.43 -25.48 ULMN 3 1bgl_c08 BETA-GALACTOSIDASE user 3 3 # 3 A 461 GLU A 86 GLU^? 1000.00 A 503 TYR A 100 TYR^? 1000.00 A 537 GLU A 136 GLU^? 1000.00 coo 24.06 146.21 11.09 22.89 146.18 9.36 21.78 -27.43 -25.47 23.65 -28.43 -25.48 coo 15.91 140.69 8.32 15.71 143.39 9.13 16.60 -26.06 -32.54 13.89 -26.00 -33.19 coo 16.65 144.44 13.24 18.34 145.22 12.33 17.75 -33.88 -31.63 19.76 -34.22 -31.08 ULMN 3 1bgl_c08 BETA-GALACTOSIDASE user 4 3 # 4 A 461 GLU B 15 GLU^? 1000.00 A 503 TYR B 6 TYR^? 1000.00 A 537 GLU B 26 GLU^? 1000.00 coo 24.06 146.21 11.09 22.89 146.18 9.36 -4.24 -34.31 -88.08 -5.97 -33.27 -87.50 coo 15.91 140.69 8.32 15.71 143.39 9.13 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo 16.65 144.44 13.24 18.34 145.22 12.33 2.14 -30.76 -88.51 1.40 -30.52 -90.48 ULMN 3 1bgl_c08 BETA-GALACTOSIDASE user 5 3 # 5 A 461 GLU B 84 GLU^? 1000.00 A 503 TYR B 6 TYR^? 1000.00 A 537 GLU B 86 GLU^? 1000.00 coo 24.06 146.21 11.09 22.89 146.18 9.36 11.05 -35.89 -77.46 10.93 -37.79 -78.39 coo 15.91 140.69 8.32 15.71 143.39 9.13 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo 16.65 144.44 13.24 18.34 145.22 12.33 12.86 -32.58 -84.08 12.77 -34.69 -84.08 ULMN 3 1bgl_c08 BETA-GALACTOSIDASE user 6 3 # 6 A 461 GLU B 86 GLU^? 1000.00 A 503 TYR B 100 TYR^? 1000.00 A 537 GLU B 136 GLU^? 1000.00 coo 24.06 146.21 11.09 22.89 146.18 9.36 12.86 -32.58 -84.08 12.77 -34.69 -84.08 coo 15.91 140.69 8.32 15.71 143.39 9.13 14.25 -27.42 -77.01 15.57 -25.03 -76.37 coo 16.65 144.44 13.24 18.34 145.22 12.33 20.45 -32.33 -77.94 19.74 -34.24 -78.49 1bgl_c08 source 1bgl BETA-GALACTOSIDASE : 6 hits 1bgl_c08 naa= 3 ULMN 3 1bhg_c02 BETA-GLUCURONIDASE user 1 3 # 1 A 451 GLU A 84 GLU^? 1000.00 A 504 TYR A 6 TYR^? 1000.00 A 540 GLU A 86 GLU^? 1000.00 coo 81.34 87.29 87.22 82.36 86.09 88.61 25.54 -27.52 -32.09 27.26 -28.36 -31.17 coo 80.85 81.34 94.77 81.70 80.16 92.41 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo 79.94 80.46 88.84 81.11 81.36 87.27 21.78 -27.43 -25.47 23.65 -28.43 -25.48 ULMN 3 1bhg_c02 BETA-GLUCURONIDASE user 2 3 # 2 A 451 GLU B 84 GLU^? 1000.00 A 504 TYR B 6 TYR^? 1000.00 A 540 GLU B 86 GLU^? 1000.00 coo 81.34 87.29 87.22 82.36 86.09 88.61 11.05 -35.89 -77.46 10.93 -37.79 -78.39 coo 80.85 81.34 94.77 81.70 80.16 92.41 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo 79.94 80.46 88.84 81.11 81.36 87.27 12.86 -32.58 -84.08 12.77 -34.69 -84.08 1bhg_c02 source 1bhg BETA-GLUCURONIDASE : 2 hits 1bhg_c02 naa= 3 ULMN 3 1bhg_c03 BETA-GLUCURONIDASE user 1 3 # 1 B 451 GLU A 84 GLU^? 1000.00 B 504 TYR A 6 TYR^? 1000.00 B 540 GLU A 86 GLU^? 1000.00 coo 86.52 35.28 112.74 87.08 36.38 110.99 25.54 -27.52 -32.09 27.26 -28.36 -31.17 coo 84.93 40.21 105.31 85.72 41.45 107.72 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo 83.38 41.19 112.55 85.47 40.59 112.72 21.78 -27.43 -25.47 23.65 -28.43 -25.48 ULMN 3 1bhg_c03 BETA-GLUCURONIDASE user 2 3 # 2 B 451 GLU A 84 GLU^? 1000.00 B 504 TYR A 100 TYR^? 1000.00 B 540 GLU A 86 GLU^? 1000.00 coo 86.52 35.28 112.74 87.08 36.38 110.99 25.54 -27.52 -32.09 27.26 -28.36 -31.17 coo 84.93 40.21 105.31 85.72 41.45 107.72 16.60 -26.06 -32.54 13.89 -26.00 -33.19 coo 83.38 41.19 112.55 85.47 40.59 112.72 21.78 -27.43 -25.47 23.65 -28.43 -25.48 ULMN 3 1bhg_c03 BETA-GLUCURONIDASE user 3 3 # 3 B 451 GLU A 86 GLU^? 1000.00 B 504 TYR A 100 TYR^? 1000.00 B 540 GLU A 84 GLU^? 1000.00 coo 86.52 35.28 112.74 87.08 36.38 110.99 21.78 -27.43 -25.47 23.65 -28.43 -25.48 coo 84.93 40.21 105.31 85.72 41.45 107.72 16.60 -26.06 -32.54 13.89 -26.00 -33.19 coo 83.38 41.19 112.55 85.47 40.59 112.72 25.54 -27.52 -32.09 27.26 -28.36 -31.17 ULMN 3 1bhg_c03 BETA-GLUCURONIDASE user 4 3 # 4 B 451 GLU B 84 GLU^? 1000.00 B 504 TYR B 6 TYR^? 1000.00 B 540 GLU B 86 GLU^? 1000.00 coo 86.52 35.28 112.74 87.08 36.38 110.99 11.05 -35.89 -77.46 10.93 -37.79 -78.39 coo 84.93 40.21 105.31 85.72 41.45 107.72 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo 83.38 41.19 112.55 85.47 40.59 112.72 12.86 -32.58 -84.08 12.77 -34.69 -84.08 ULMN 3 1bhg_c03 BETA-GLUCURONIDASE user 5 3 # 5 B 451 GLU B 84 GLU^? 1000.00 B 504 TYR B 100 TYR^? 1000.00 B 540 GLU B 86 GLU^? 1000.00 coo 86.52 35.28 112.74 87.08 36.38 110.99 11.05 -35.89 -77.46 10.93 -37.79 -78.39 coo 84.93 40.21 105.31 85.72 41.45 107.72 14.25 -27.42 -77.01 15.57 -25.03 -76.37 coo 83.38 41.19 112.55 85.47 40.59 112.72 12.86 -32.58 -84.08 12.77 -34.69 -84.08 ULMN 3 1bhg_c03 BETA-GLUCURONIDASE user 6 3 # 6 B 451 GLU B 86 GLU^? 1000.00 B 504 TYR B 100 TYR^? 1000.00 B 540 GLU B 84 GLU^? 1000.00 coo 86.52 35.28 112.74 87.08 36.38 110.99 12.86 -32.58 -84.08 12.77 -34.69 -84.08 coo 84.93 40.21 105.31 85.72 41.45 107.72 14.25 -27.42 -77.01 15.57 -25.03 -76.37 coo 83.38 41.19 112.55 85.47 40.59 112.72 11.05 -35.89 -77.46 10.93 -37.79 -78.39 1bhg_c03 source 1bhg BETA-GLUCURONIDASE : 6 hits 1bhg_c03 naa= 3 ULMN 3 1bp2_c00 PHOSPHOLIPASE A2 (E.C.3.1.1.4) (PHOSuser 1 3 # 1 30 GLY A 14 GLY.? 1000.00 48 HIS A 21 HIS~? 1000.00 99 ASP A 4 ASP^? 1000.00 coo 12.38 5.55 24.25 13.27 5.59 24.39 31.16 -16.49 -26.28 31.87 -16.86 -25.96 coo 18.80 12.68 24.53 17.69 13.54 26.08 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo 17.07 18.51 26.62 16.67 17.07 28.09 19.46 -21.33 -18.77 18.88 -20.63 -16.86 ULMN 3 1bp2_c00 PHOSPHOLIPASE A2 (E.C.3.1.1.4) (PHOSuser 2 3 # 2 30 GLY A 14 GLY.? 1000.00 48 HIS A 21 HIS~? 1000.00 99 ASP A 18 ASP~? 1000.00 coo 12.38 5.55 24.25 13.27 5.59 24.39 31.16 -16.49 -26.28 31.87 -16.86 -25.96 coo 18.80 12.68 24.53 17.69 13.54 26.08 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo 17.07 18.51 26.62 16.67 17.07 28.09 26.87 -23.27 -16.72 26.31 -23.96 -18.62 ULMN 3 1bp2_c00 PHOSPHOLIPASE A2 (E.C.3.1.1.4) (PHOSuser 3 3 # 3 30 GLY A 14 GLY.? 1000.00 48 HIS A 21 HIS~? 1000.00 99 ASP A 19 ASP~? 1000.00 coo 12.38 5.55 24.25 13.27 5.59 24.39 31.16 -16.49 -26.28 31.87 -16.86 -25.96 coo 18.80 12.68 24.53 17.69 13.54 26.08 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo 17.07 18.51 26.62 16.67 17.07 28.09 29.74 -27.57 -15.65 30.35 -27.04 -13.70 ULMN 3 1bp2_c00 PHOSPHOLIPASE A2 (E.C.3.1.1.4) (PHOSuser 4 3 # 4 30 GLY B 14 GLY^? 1000.00 48 HIS B 21 HIS^? 1000.00 99 ASP B 4 ASP^? 1000.00 coo 12.38 5.55 24.25 13.27 5.59 24.39 -1.32 -35.21 -83.27 -1.35 -36.02 -83.59 coo 18.80 12.68 24.53 17.69 13.54 26.08 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo 17.07 18.51 26.62 16.67 17.07 28.09 8.72 -27.52 -90.78 8.40 -26.67 -92.69 ULMN 3 1bp2_c00 PHOSPHOLIPASE A2 (E.C.3.1.1.4) (PHOSuser 5 3 # 5 30 GLY B 14 GLY^? 1000.00 48 HIS B 21 HIS^? 1000.00 99 ASP B 18 ASP^? 1000.00 coo 12.38 5.55 24.25 13.27 5.59 24.39 -1.32 -35.21 -83.27 -1.35 -36.02 -83.59 coo 18.80 12.68 24.53 17.69 13.54 26.08 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo 17.07 18.51 26.62 16.67 17.07 28.09 6.68 -34.89 -92.82 7.57 -34.75 -90.92 ULMN 3 1bp2_c00 PHOSPHOLIPASE A2 (E.C.3.1.1.4) (PHOSuser 6 3 # 6 30 GLY B 14 GLY^? 1000.00 48 HIS B 21 HIS^? 1000.00 99 ASP B 19 ASP^? 1000.00 coo 12.38 5.55 24.25 13.27 5.59 24.39 -1.32 -35.21 -83.27 -1.35 -36.02 -83.59 coo 18.80 12.68 24.53 17.69 13.54 26.08 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo 17.07 18.51 26.62 16.67 17.07 28.09 8.97 -39.53 -93.90 8.21 -39.80 -95.86 1bp2_c00 source 1bp2 PHOSPHOLIPASE A2 (E.C.3.1.1.4) (PHOSPHATIDE AC: 6 hits 1bp2_c00 naa= 3 ULMN 3 1bs0_c01 8-AMINO-7-OXONANOATE SYNTHASE user 1 3 # 1 A 109 PHE A 80 PHE^? 1000.00 A 205 ASP A 64 ASP^? 1000.00 A 236 LYS A 23 LYS.? 1000.00 coo 4.14 2.10 36.34 6.69 3.08 36.92 29.79 -19.45 -38.74 30.65 -16.93 -38.04 coo 0.29 -1.62 50.50 1.21 -2.50 52.18 29.43 -11.47 -24.77 28.22 -12.20 -26.29 coo 6.34 -8.87 44.53 6.49 -3.84 42.65 32.67 -20.15 -23.43 38.88 -20.02 -24.22 ULMN 3 1bs0_c01 8-AMINO-7-OXONANOATE SYNTHASE user 2 3 # 2 A 109 PHE A 128 PHE^? 1000.00 A 205 ASP A 13 ASP.? 1000.00 A 236 LYS A 69 LYS^? 1000.00 coo 4.14 2.10 36.34 6.69 3.08 36.92 22.32 -16.99 -36.28 24.17 -16.12 -34.42 coo 0.29 -1.62 50.50 1.21 -2.50 52.18 35.39 -17.87 -27.45 36.78 -19.31 -28.08 coo 6.34 -8.87 44.53 6.49 -3.84 42.65 32.90 -11.51 -34.53 36.58 -11.70 -35.14 ULMN 3 1bs0_c01 8-AMINO-7-OXONANOATE SYNTHASE user 3 3 # 3 A 109 PHE A 128 PHE^? 1000.00 A 205 ASP A 64 ASP^? 1000.00 A 236 LYS A 69 LYS^? 1000.00 coo 4.14 2.10 36.34 6.69 3.08 36.92 22.32 -16.99 -36.28 24.17 -16.12 -34.42 coo 0.29 -1.62 50.50 1.21 -2.50 52.18 29.43 -11.47 -24.77 28.22 -12.20 -26.29 coo 6.34 -8.87 44.53 6.49 -3.84 42.65 32.90 -11.51 -34.53 36.58 -11.70 -35.14 ULMN 3 1bs0_c01 8-AMINO-7-OXONANOATE SYNTHASE user 4 3 # 4 A 109 PHE B 80 PHE^? 1000.00 A 205 ASP B 64 ASP^? 1000.00 A 236 LYS B 23 LYS^? 1000.00 coo 4.14 2.10 36.34 6.69 3.08 36.92 1.93 -35.53 -70.81 -0.68 -35.01 -71.51 coo 0.29 -1.62 50.50 1.21 -2.50 52.18 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 coo 6.34 -8.87 44.53 6.49 -3.84 42.65 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 ULMN 3 1bs0_c01 8-AMINO-7-OXONANOATE SYNTHASE user 5 3 # 5 A 109 PHE B 128 PHE^? 1000.00 A 205 ASP B 13 ASP^? 1000.00 A 236 LYS B 69 LYS^? 1000.00 coo 4.14 2.10 36.34 6.69 3.08 36.92 3.54 -27.82 -73.26 1.86 -28.99 -75.12 coo 0.29 -1.62 50.50 1.21 -2.50 52.18 -2.24 -39.57 -82.10 -1.69 -41.51 -81.47 coo 6.34 -8.87 44.53 6.49 -3.84 42.65 -6.51 -34.23 -75.02 -8.20 -37.51 -74.40 ULMN 3 1bs0_c01 8-AMINO-7-OXONANOATE SYNTHASE user 6 3 # 6 A 109 PHE B 128 PHE^? 1000.00 A 205 ASP B 64 ASP^? 1000.00 A 236 LYS B 69 LYS^? 1000.00 coo 4.14 2.10 36.34 6.69 3.08 36.92 3.54 -27.82 -73.26 1.86 -28.99 -75.12 coo 0.29 -1.62 50.50 1.21 -2.50 52.18 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 coo 6.34 -8.87 44.53 6.49 -3.84 42.65 -6.51 -34.23 -75.02 -8.20 -37.51 -74.40 1bs0_c01 source 1bs0 8-AMINO-7-OXONANOATE SYNTHASE : 6 hits 1bs0_c01 naa= 3 ULMN 3 1bs4_c00 PEPTIDE DEFORMYLASE user 1 3 # 1 A 50 GLN A 123 GLN^? 1000.00 A 91 LEU A 28 LEU.? 1000.00 A 133 GLU A 124 GLU^? 1000.00 coo 43.58 43.67 66.73 42.32 42.78 68.15 19.17 -6.63 -26.34 17.17 -6.41 -25.67 coo 38.58 45.09 70.44 38.28 45.21 72.59 17.56 -13.31 -23.68 18.91 -12.17 -22.47 coo 44.05 36.87 70.65 43.15 38.64 69.97 24.17 -8.38 -29.24 26.07 -8.88 -30.07 ULMN 3 1bs4_c00 PEPTIDE DEFORMYLASE user 2 3 # 2 A 50 GLN B 123 GLN^? 1000.00 A 91 LEU B 28 LEU^? 1000.00 A 133 GLU B 124 GLU^? 1000.00 coo 43.58 43.67 66.73 42.32 42.78 68.15 -3.85 -19.91 -83.20 -3.03 -18.06 -83.87 coo 38.58 45.09 70.44 38.28 45.21 72.59 2.74 -21.87 -85.86 1.11 -22.42 -87.12 coo 44.05 36.87 70.65 43.15 38.64 69.97 -4.84 -25.10 -80.31 -5.35 -27.01 -79.49 1bs4_c00 source 1bs4 PEPTIDE DEFORMYLASE : 2 hits 1bs4_c00 naa= 3 ULMN 3 1bs4_c01 PEPTIDE DEFORMYLASE user 1 3 # 1 B 550 GLN A 123 GLN^? 1000.00 B 591 LEU A 28 LEU.? 1000.00 B 633 GLU A 124 GLU^? 1000.00 coo 88.06 44.34 57.19 89.06 45.53 55.74 19.17 -6.63 -26.34 17.17 -6.41 -25.67 coo 86.70 48.66 52.61 87.15 48.69 50.51 17.56 -13.31 -23.68 18.91 -12.17 -22.47 coo 95.42 44.52 54.43 93.46 45.31 54.70 24.17 -8.38 -29.24 26.07 -8.88 -30.07 ULMN 3 1bs4_c01 PEPTIDE DEFORMYLASE user 2 3 # 2 B 550 GLN B 123 GLN^? 1000.00 B 591 LEU B 28 LEU^? 1000.00 B 633 GLU B 124 GLU^? 1000.00 coo 88.06 44.34 57.19 89.06 45.53 55.74 -3.85 -19.91 -83.20 -3.03 -18.06 -83.87 coo 86.70 48.66 52.61 87.15 48.69 50.51 2.74 -21.87 -85.86 1.11 -22.42 -87.12 coo 95.42 44.52 54.43 93.46 45.31 54.70 -4.84 -25.10 -80.31 -5.35 -27.01 -79.49 1bs4_c01 source 1bs4 PEPTIDE DEFORMYLASE : 2 hits 1bs4_c01 naa= 3 ULMN 3 1bs4_c02 PEPTIDE DEFORMYLASE user 1 3 # 1 C1050 GLN A 123 GLN^? 1000.00 C1091 LEU A 28 LEU.? 1000.00 C1133 GLU A 124 GLU^? 1000.00 coo 68.29 34.44 43.03 66.67 34.74 44.37 19.17 -6.63 -26.34 17.17 -6.41 -25.67 coo 65.83 38.95 47.05 65.46 38.90 49.20 17.56 -13.31 -23.68 18.91 -12.17 -22.47 coo 63.14 29.39 46.25 63.84 31.31 45.74 24.17 -8.38 -29.24 26.07 -8.88 -30.07 ULMN 3 1bs4_c02 PEPTIDE DEFORMYLASE user 2 3 # 2 C1050 GLN B 123 GLN^? 1000.00 C1091 LEU B 28 LEU^? 1000.00 C1133 GLU B 124 GLU^? 1000.00 coo 68.29 34.44 43.03 66.67 34.74 44.37 -3.85 -19.91 -83.20 -3.03 -18.06 -83.87 coo 65.83 38.95 47.05 65.46 38.90 49.20 2.74 -21.87 -85.86 1.11 -22.42 -87.12 coo 63.14 29.39 46.25 63.84 31.31 45.74 -4.84 -25.10 -80.31 -5.35 -27.01 -79.49 1bs4_c02 source 1bs4 PEPTIDE DEFORMYLASE : 2 hits 1bs4_c02 naa= 3 ULMN 3 1bsj_c00 PEPTIDE DEFORMYLASE user 1 3 # 1 A 50 GLN A 123 GLN^? 1000.00 A 91 LEU A 28 LEU.? 1000.00 A 133 GLU A 124 GLU^? 1000.00 coo 38.23 53.34 67.59 38.84 53.87 69.56 19.17 -6.63 -26.34 17.17 -6.41 -25.67 coo 35.40 53.22 73.30 35.37 54.87 74.74 17.56 -13.31 -23.68 18.91 -12.17 -22.47 coo 45.08 56.04 70.60 43.15 55.19 70.77 24.17 -8.38 -29.24 26.07 -8.88 -30.07 ULMN 3 1bsj_c00 PEPTIDE DEFORMYLASE user 2 3 # 2 A 50 GLN B 123 GLN^? 1000.00 A 91 LEU B 28 LEU^? 1000.00 A 133 GLU B 124 GLU^? 1000.00 coo 38.23 53.34 67.59 38.84 53.87 69.56 -3.85 -19.91 -83.20 -3.03 -18.06 -83.87 coo 35.40 53.22 73.30 35.37 54.87 74.74 2.74 -21.87 -85.86 1.11 -22.42 -87.12 coo 45.08 56.04 70.60 43.15 55.19 70.77 -4.84 -25.10 -80.31 -5.35 -27.01 -79.49 1bsj_c00 source 1bsj PEPTIDE DEFORMYLASE : 2 hits 1bsj_c00 naa= 3 ULMN 3 1bu7_c02 CYTOCHROME P450 user 1 3 # 1 A 268 THR A 5 THR^? 1000.00 A 393 PHE A 97 PHE^? 1000.00 A 400 CYH A 98 CYH^? 1000.00 coo 45.81 71.19 43.26 47.70 70.19 43.25 19.47 -20.80 -23.49 17.87 -20.32 -24.84 coo 48.54 63.17 48.16 46.74 64.99 49.22 14.16 -28.67 -22.02 13.82 -25.93 -21.87 coo 53.76 64.39 46.87 52.06 66.55 47.33 15.72 -29.14 -26.53 14.42 -27.53 -28.35 ULMN 3 1bu7_c02 CYTOCHROME P450 user 2 3 # 2 A 268 THR B 5 THR^? 1000.00 A 393 PHE B 97 PHE^? 1000.00 A 400 CYH B 98 CYH^? 1000.00 coo 45.81 71.19 43.26 47.70 70.19 43.25 8.27 -27.26 -86.05 8.66 -25.65 -84.68 coo 48.54 63.17 48.16 46.74 64.99 49.22 17.74 -26.61 -87.53 15.53 -24.94 -87.68 coo 53.76 64.39 46.87 52.06 66.55 47.33 17.36 -28.18 -83.02 16.63 -26.25 -81.22 1bu7_c02 source 1bu7 CYTOCHROME P450 : 2 hits 1bu7_c02 naa= 3 ULMN 3 1bu7_c03 CYTOCHROME P450 user 1 3 # 1 B 268 THR A 5 THR^? 1000.00 B 393 PHE A 97 PHE^? 1000.00 B 400 CYH A 98 CYH^? 1000.00 coo 37.20 116.32 52.00 35.18 117.07 52.13 19.47 -20.80 -23.49 17.87 -20.32 -24.84 coo 33.81 121.65 59.26 35.49 119.55 59.81 14.16 -28.67 -22.02 13.82 -25.93 -21.87 coo 28.79 121.15 57.00 30.51 118.99 56.70 15.72 -29.14 -26.53 14.42 -27.53 -28.35 ULMN 3 1bu7_c03 CYTOCHROME P450 user 2 3 # 2 B 268 THR B 5 THR^? 1000.00 B 393 PHE B 97 PHE^? 1000.00 B 400 CYH B 98 CYH^? 1000.00 coo 37.20 116.32 52.00 35.18 117.07 52.13 8.27 -27.26 -86.05 8.66 -25.65 -84.68 coo 33.81 121.65 59.26 35.49 119.55 59.81 17.74 -26.61 -87.53 15.53 -24.94 -87.68 coo 28.79 121.15 57.00 30.51 118.99 56.70 17.36 -28.18 -83.02 16.63 -26.25 -81.22 1bu7_c03 source 1bu7 CYTOCHROME P450 : 2 hits 1bu7_c03 naa= 3 ULMN 3 1bwd_c02 INOSAMINE-PHOSPHATE AMIDINOTRANSFERAuser 1 3 # 1 A 179 ASP A 18 ASP~? 1000.00 A 227 HIS A 21 HIS~? 1000.00 A 332 CYH A 88 CYH^? 1000.00 coo 123.98 30.59 1.90 124.68 28.67 1.28 26.87 -23.27 -16.72 26.31 -23.96 -18.62 coo 119.16 28.51 2.63 120.67 28.31 1.13 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo 114.70 31.13 -3.42 115.96 29.28 -1.69 18.68 -26.29 -20.51 21.30 -26.44 -21.57 ULMN 3 1bwd_c02 INOSAMINE-PHOSPHATE AMIDINOTRANSFERAuser 2 3 # 2 A 179 ASP B 18 ASP^? 1000.00 A 227 HIS B 21 HIS^? 1000.00 A 332 CYH B 88 CYH^? 1000.00 coo 123.98 30.59 1.90 124.68 28.67 1.28 6.68 -34.89 -92.82 7.57 -34.75 -90.92 coo 119.16 28.51 2.63 120.67 28.31 1.13 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo 114.70 31.13 -3.42 115.96 29.28 -1.69 13.42 -29.32 -89.04 12.25 -31.64 -87.96 1bwd_c02 source 1bwd INOSAMINE-PHOSPHATE AMIDINOTRANSFERASE : 2 hits 1bwd_c02 naa= 3 ULMN 3 1bwd_c03 INOSAMINE-PHOSPHATE AMIDINOTRANSFERAuser 1 3 # 1 B 179 ASP A 18 ASP~? 1000.00 B 227 HIS A 21 HIS~? 1000.00 B 332 CYH A 88 CYH^? 1000.00 coo 94.18 76.57 24.23 93.74 77.97 22.66 26.87 -23.27 -16.72 26.31 -23.96 -18.62 coo 89.34 74.44 23.40 90.11 76.41 23.55 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo 85.03 76.39 29.77 85.85 76.14 27.06 18.68 -26.29 -20.51 21.30 -26.44 -21.57 ULMN 3 1bwd_c03 INOSAMINE-PHOSPHATE AMIDINOTRANSFERAuser 2 3 # 2 B 179 ASP B 18 ASP^? 1000.00 B 227 HIS B 21 HIS^? 1000.00 B 332 CYH B 88 CYH^? 1000.00 coo 94.18 76.57 24.23 93.74 77.97 22.66 6.68 -34.89 -92.82 7.57 -34.75 -90.92 coo 89.34 74.44 23.40 90.11 76.41 23.55 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo 85.03 76.39 29.77 85.85 76.14 27.06 13.42 -29.32 -89.04 12.25 -31.64 -87.96 1bwd_c03 source 1bwd INOSAMINE-PHOSPHATE AMIDINOTRANSFERASE : 2 hits 1bwd_c03 naa= 3 ULMN 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 1 3 # 1 229 ASP A 10 ASP.? 1000.00 264 GLU A 124 GLU^? 1000.00 328 ASP A 13 ASP.? 1000.00 coo 45.62 80.42 43.69 45.65 82.01 45.07 32.49 -23.60 -36.06 31.26 -25.30 -35.99 coo 59.69 92.71 39.85 58.53 92.03 41.47 24.17 -8.38 -29.24 26.07 -8.88 -30.07 coo 45.39 90.72 40.63 45.07 89.14 41.90 35.39 -17.87 -27.45 36.78 -19.31 -28.08 ULMN 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 2 3 # 2 229 ASP A 64 ASP^? 1000.00 264 GLU A 84 GLU^? 1000.00 328 ASP A 13 ASP.? 1000.00 coo 45.62 80.42 43.69 45.65 82.01 45.07 29.43 -11.47 -24.77 28.22 -12.20 -26.29 coo 59.69 92.71 39.85 58.53 92.03 41.47 25.54 -27.52 -32.09 27.26 -28.36 -31.17 coo 45.39 90.72 40.63 45.07 89.14 41.90 35.39 -17.87 -27.45 36.78 -19.31 -28.08 ULMN 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 3 3 # 3 229 ASP B 10 ASP^? 1000.00 264 GLU B 124 GLU^? 1000.00 328 ASP B 13 ASP^? 1000.00 coo 45.62 80.42 43.69 45.65 82.01 45.07 4.17 -39.92 -73.48 6.27 -39.73 -73.56 coo 59.69 92.71 39.85 58.53 92.03 41.47 -4.84 -25.10 -80.31 -5.35 -27.01 -79.49 coo 45.39 90.72 40.63 45.07 89.14 41.90 -2.24 -39.57 -82.10 -1.69 -41.51 -81.47 ULMN 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 4 3 # 4 229 ASP B 64 ASP^? 1000.00 264 GLU B 84 GLU^? 1000.00 328 ASP B 13 ASP^? 1000.00 coo 45.62 80.42 43.69 45.65 82.01 45.07 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 coo 59.69 92.71 39.85 58.53 92.03 41.47 11.05 -35.89 -77.46 10.93 -37.79 -78.39 coo 45.39 90.72 40.63 45.07 89.14 41.90 -2.24 -39.57 -82.10 -1.69 -41.51 -81.47 1cdg_c00 source 1cdg CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.C.2.4.1.19: 4 hits 1cdg_c00 naa= 3 ULMN 3 1cjy_c00 CYTOSOLIC PHOSPHOLIPASE A2 user 1 3 # 1 A 198 GLY A 117 GLY^? 1000.00 A 228 SER A 119 SER^? 1000.00 A 549 ASP A 120 ASP^? 1000.00 coo 43.62 -9.31 54.06 43.04 -9.29 54.58 21.11 4.47 -18.23 20.44 4.07 -18.53 coo 45.99 -4.81 58.63 47.02 -6.84 57.75 19.43 -1.94 -17.44 18.78 -2.03 -19.80 coo 51.69 -5.84 58.91 49.67 -6.52 58.93 23.87 -3.65 -16.49 25.85 -2.89 -16.34 ULMN 3 1cjy_c00 CYTOSOLIC PHOSPHOLIPASE A2 user 2 3 # 2 A 198 GLY B 117 GLY^? 1000.00 A 228 SER B 119 SER^? 1000.00 A 549 ASP B 120 ASP^? 1000.00 coo 43.62 -9.31 54.06 43.04 -9.29 54.58 -14.43 -16.02 -91.30 -13.75 -15.64 -91.00 coo 45.99 -4.81 58.63 47.02 -6.84 57.75 -8.04 -17.77 -92.09 -7.64 -17.26 -89.74 coo 51.69 -5.84 58.91 49.67 -6.52 58.93 -8.78 -22.48 -93.04 -10.45 -23.81 -93.19 1cjy_c00 source 1cjy CYTOSOLIC PHOSPHOLIPASE A2 : 2 hits 1cjy_c00 naa= 3 ULMN 3 1cjy_c01 CYTOSOLIC PHOSPHOLIPASE A2 user 1 3 # 1 B1198 GLY A 117 GLY^? 1000.00 B1228 SER A 119 SER^? 1000.00 B1549 ASP A 120 ASP^? 1000.00 coo 126.34 72.75 125.66 125.95 73.27 126.11 21.11 4.47 -18.23 20.44 4.07 -18.53 coo 131.65 74.68 129.41 130.31 72.73 128.82 19.43 -1.94 -17.44 18.78 -2.03 -19.80 coo 134.72 69.43 130.42 133.03 70.65 130.08 23.87 -3.65 -16.49 25.85 -2.89 -16.34 ULMN 3 1cjy_c01 CYTOSOLIC PHOSPHOLIPASE A2 user 2 3 # 2 B1198 GLY B 117 GLY^? 1000.00 B1228 SER B 119 SER^? 1000.00 B1549 ASP B 120 ASP^? 1000.00 coo 126.34 72.75 125.66 125.95 73.27 126.11 -14.43 -16.02 -91.30 -13.75 -15.64 -91.00 coo 131.65 74.68 129.41 130.31 72.73 128.82 -8.04 -17.77 -92.09 -7.64 -17.26 -89.74 coo 134.72 69.43 130.42 133.03 70.65 130.08 -8.78 -22.48 -93.04 -10.45 -23.81 -93.19 1cjy_c01 source 1cjy CYTOSOLIC PHOSPHOLIPASE A2 : 2 hits 1cjy_c01 naa= 3 ULMN 3 1cms_c04 CHYMOSIN B (FORMERLY KNOWN AS RENNINuser 1 3 # 1 34 ASP A 18 ASP~? 1000.00 37 SER A 16 SER.? 1000.00 216 ASP A 4 ASP^? 1000.00 coo 16.90 26.20 29.49 16.22 24.50 28.41 26.87 -23.27 -16.72 26.31 -23.96 -18.62 coo 12.23 24.31 30.40 14.55 23.96 31.03 29.28 -18.48 -20.76 27.76 -20.30 -20.33 coo 13.93 25.52 22.10 14.75 24.44 23.75 19.46 -21.33 -18.77 18.88 -20.63 -16.86 ULMN 3 1cms_c04 CHYMOSIN B (FORMERLY KNOWN AS RENNINuser 2 3 # 2 34 ASP B 18 ASP^? 1000.00 37 SER B 16 SER^? 1000.00 216 ASP B 4 ASP^? 1000.00 coo 16.90 26.20 29.49 16.22 24.50 28.41 6.68 -34.89 -92.82 7.57 -34.75 -90.92 coo 12.23 24.31 30.40 14.55 23.96 31.03 1.34 -34.60 -88.79 3.68 -34.16 -89.21 coo 13.93 25.52 22.10 14.75 24.44 23.75 8.72 -27.52 -90.78 8.40 -26.67 -92.69 1cms_c04 source 1cms CHYMOSIN B (FORMERLY KNOWN AS RENNIN) (E.C.3.4: 2 hits 1cms_c04 naa= 3 ULMN 3 1ct9_c04 ASPARAGINE SYNTHETASE B user 1 3 # 1 A 1 ALA A 52 ALA^? 1000.00 A 74 ASN A 36 ASN^? 1000.00 A 75 GLY A 35 GLY^? 1000.00 coo -1.80 62.71 122.76 -1.88 63.70 123.92 8.14 -26.21 -47.41 8.93 -27.32 -47.10 coo 1.20 66.40 122.20 2.03 64.53 121.46 4.01 -26.37 -45.94 2.34 -27.21 -44.98 coo 4.68 65.84 125.52 4.11 65.60 126.05 5.53 -24.22 -42.04 6.16 -24.06 -42.59 ULMN 3 1ct9_c04 ASPARAGINE SYNTHETASE B user 2 3 # 2 A 1 ALA A 52 ALA^? 1000.00 A 74 ASN A 36 ASN^? 1000.00 A 75 GLY A 50 GLY.? 1000.00 coo -1.80 62.71 122.76 -1.88 63.70 123.92 8.14 -26.21 -47.41 8.93 -27.32 -47.10 coo 1.20 66.40 122.20 2.03 64.53 121.46 4.01 -26.37 -45.94 2.34 -27.21 -44.98 coo 4.68 65.84 125.52 4.11 65.60 126.05 2.97 -27.10 -51.73 3.20 -27.54 -51.07 ULMN 3 1ct9_c04 ASPARAGINE SYNTHETASE B user 3 3 # 3 A 1 ALA B 52 ALA^? 1000.00 A 74 ASN B 36 ASN^? 1000.00 A 75 GLY B 35 GLY^? 1000.00 coo -1.80 62.71 122.76 -1.88 63.70 123.92 18.57 -20.14 -62.07 19.15 -21.38 -62.35 coo 1.20 66.40 122.20 2.03 64.53 121.46 20.84 -16.68 -63.62 22.42 -15.65 -64.57 coo 4.68 65.84 125.52 4.11 65.60 126.05 18.19 -16.89 -67.51 17.74 -17.36 -66.95 ULMN 3 1ct9_c04 ASPARAGINE SYNTHETASE B user 4 3 # 4 A 1 ALA B 52 ALA^? 1000.00 A 74 ASN B 36 ASN^? 1000.00 A 75 GLY B 50 GLY^? 1000.00 coo -1.80 62.71 122.76 -1.88 63.70 123.92 18.57 -20.14 -62.07 19.15 -21.38 -62.35 coo 1.20 66.40 122.20 2.03 64.53 121.46 20.84 -16.68 -63.62 22.42 -15.65 -64.57 coo 4.68 65.84 125.52 4.11 65.60 126.05 21.98 -16.14 -57.82 22.26 -16.57 -58.48 1ct9_c04 source 1ct9 ASPARAGINE SYNTHETASE B : 4 hits 1ct9_c04 naa= 3 ULMN 3 1ct9_c05 ASPARAGINE SYNTHETASE B user 1 3 # 1 B 1 ALA A 52 ALA^? 1000.00 B 74 ASN A 36 ASN^? 1000.00 B 75 GLY A 35 GLY^? 1000.00 coo 39.21 14.97 27.55 40.19 16.01 27.08 8.14 -26.21 -47.41 8.93 -27.32 -47.10 coo 43.06 12.94 25.74 42.26 11.81 27.44 4.01 -26.37 -45.94 2.34 -27.21 -44.98 coo 46.38 13.54 29.18 46.14 14.29 29.26 5.53 -24.22 -42.04 6.16 -24.06 -42.59 ULMN 3 1ct9_c05 ASPARAGINE SYNTHETASE B user 2 3 # 2 B 1 ALA A 52 ALA^? 1000.00 B 74 ASN A 36 ASN^? 1000.00 B 75 GLY A 50 GLY.? 1000.00 coo 39.21 14.97 27.55 40.19 16.01 27.08 8.14 -26.21 -47.41 8.93 -27.32 -47.10 coo 43.06 12.94 25.74 42.26 11.81 27.44 4.01 -26.37 -45.94 2.34 -27.21 -44.98 coo 46.38 13.54 29.18 46.14 14.29 29.26 2.97 -27.10 -51.73 3.20 -27.54 -51.07 ULMN 3 1ct9_c05 ASPARAGINE SYNTHETASE B user 3 3 # 3 B 1 ALA B 52 ALA^? 1000.00 B 74 ASN B 36 ASN^? 1000.00 B 75 GLY B 35 GLY^? 1000.00 coo 39.21 14.97 27.55 40.19 16.01 27.08 18.57 -20.14 -62.07 19.15 -21.38 -62.35 coo 43.06 12.94 25.74 42.26 11.81 27.44 20.84 -16.68 -63.62 22.42 -15.65 -64.57 coo 46.38 13.54 29.18 46.14 14.29 29.26 18.19 -16.89 -67.51 17.74 -17.36 -66.95 ULMN 3 1ct9_c05 ASPARAGINE SYNTHETASE B user 4 3 # 4 B 1 ALA B 52 ALA^? 1000.00 B 74 ASN B 36 ASN^? 1000.00 B 75 GLY B 50 GLY^? 1000.00 coo 39.21 14.97 27.55 40.19 16.01 27.08 18.57 -20.14 -62.07 19.15 -21.38 -62.35 coo 43.06 12.94 25.74 42.26 11.81 27.44 20.84 -16.68 -63.62 22.42 -15.65 -64.57 coo 46.38 13.54 29.18 46.14 14.29 29.26 21.98 -16.14 -57.82 22.26 -16.57 -58.48 1ct9_c05 source 1ct9 ASPARAGINE SYNTHETASE B : 4 hits 1ct9_c05 naa= 3 ULMN 3 1ct9_c06 ASPARAGINE SYNTHETASE B user 1 3 # 1 C 1 ALA A 52 ALA^? 1000.00 C 74 ASN A 36 ASN^? 1000.00 C 75 GLY A 35 GLY^? 1000.00 coo 16.14 15.08 36.63 15.28 14.65 37.81 8.14 -26.21 -47.41 8.93 -27.32 -47.10 coo 11.60 16.13 36.70 12.80 17.74 35.96 4.01 -26.37 -45.94 2.34 -27.21 -44.98 coo 10.99 19.23 40.32 11.50 18.77 40.74 5.53 -24.22 -42.04 6.16 -24.06 -42.59 ULMN 3 1ct9_c06 ASPARAGINE SYNTHETASE B user 2 3 # 2 C 1 ALA A 52 ALA^? 1000.00 C 74 ASN A 36 ASN^? 1000.00 C 75 GLY A 50 GLY.? 1000.00 coo 16.14 15.08 36.63 15.28 14.65 37.81 8.14 -26.21 -47.41 8.93 -27.32 -47.10 coo 11.60 16.13 36.70 12.80 17.74 35.96 4.01 -26.37 -45.94 2.34 -27.21 -44.98 coo 10.99 19.23 40.32 11.50 18.77 40.74 2.97 -27.10 -51.73 3.20 -27.54 -51.07 ULMN 3 1ct9_c06 ASPARAGINE SYNTHETASE B user 3 3 # 3 C 1 ALA B 52 ALA^? 1000.00 C 74 ASN B 36 ASN^? 1000.00 C 75 GLY B 35 GLY^? 1000.00 coo 16.14 15.08 36.63 15.28 14.65 37.81 18.57 -20.14 -62.07 19.15 -21.38 -62.35 coo 11.60 16.13 36.70 12.80 17.74 35.96 20.84 -16.68 -63.62 22.42 -15.65 -64.57 coo 10.99 19.23 40.32 11.50 18.77 40.74 18.19 -16.89 -67.51 17.74 -17.36 -66.95 ULMN 3 1ct9_c06 ASPARAGINE SYNTHETASE B user 4 3 # 4 C 1 ALA B 52 ALA^? 1000.00 C 74 ASN B 36 ASN^? 1000.00 C 75 GLY B 50 GLY^? 1000.00 coo 16.14 15.08 36.63 15.28 14.65 37.81 18.57 -20.14 -62.07 19.15 -21.38 -62.35 coo 11.60 16.13 36.70 12.80 17.74 35.96 20.84 -16.68 -63.62 22.42 -15.65 -64.57 coo 10.99 19.23 40.32 11.50 18.77 40.74 21.98 -16.14 -57.82 22.26 -16.57 -58.48 1ct9_c06 source 1ct9 ASPARAGINE SYNTHETASE B : 4 hits 1ct9_c06 naa= 3 ULMN 3 1ct9_c07 ASPARAGINE SYNTHETASE B user 1 3 # 1 D 1 ALA A 52 ALA^? 1000.00 D 74 ASN A 36 ASN^? 1000.00 D 75 GLY A 35 GLY^? 1000.00 coo -13.31 41.90 116.45 -13.05 40.39 116.25 8.14 -26.21 -47.41 8.93 -27.32 -47.10 coo -16.85 39.36 115.26 -17.55 40.58 116.90 4.01 -26.37 -45.94 2.34 -27.21 -44.98 coo -17.65 36.37 119.00 -16.85 36.22 119.00 5.53 -24.22 -42.04 6.16 -24.06 -42.59 ULMN 3 1ct9_c07 ASPARAGINE SYNTHETASE B user 2 3 # 2 D 1 ALA A 52 ALA^? 1000.00 D 74 ASN A 36 ASN^? 1000.00 D 75 GLY A 50 GLY.? 1000.00 coo -13.31 41.90 116.45 -13.05 40.39 116.25 8.14 -26.21 -47.41 8.93 -27.32 -47.10 coo -16.85 39.36 115.26 -17.55 40.58 116.90 4.01 -26.37 -45.94 2.34 -27.21 -44.98 coo -17.65 36.37 119.00 -16.85 36.22 119.00 2.97 -27.10 -51.73 3.20 -27.54 -51.07 ULMN 3 1ct9_c07 ASPARAGINE SYNTHETASE B user 3 3 # 3 D 1 ALA B 52 ALA^? 1000.00 D 74 ASN B 36 ASN^? 1000.00 D 75 GLY B 35 GLY^? 1000.00 coo -13.31 41.90 116.45 -13.05 40.39 116.25 18.57 -20.14 -62.07 19.15 -21.38 -62.35 coo -16.85 39.36 115.26 -17.55 40.58 116.90 20.84 -16.68 -63.62 22.42 -15.65 -64.57 coo -17.65 36.37 119.00 -16.85 36.22 119.00 18.19 -16.89 -67.51 17.74 -17.36 -66.95 ULMN 3 1ct9_c07 ASPARAGINE SYNTHETASE B user 4 3 # 4 D 1 ALA B 52 ALA^? 1000.00 D 74 ASN B 36 ASN^? 1000.00 D 75 GLY B 50 GLY^? 1000.00 coo -13.31 41.90 116.45 -13.05 40.39 116.25 18.57 -20.14 -62.07 19.15 -21.38 -62.35 coo -16.85 39.36 115.26 -17.55 40.58 116.90 20.84 -16.68 -63.62 22.42 -15.65 -64.57 coo -17.65 36.37 119.00 -16.85 36.22 119.00 21.98 -16.14 -57.82 22.26 -16.57 -58.48 1ct9_c07 source 1ct9 ASPARAGINE SYNTHETASE B : 4 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 64 ASP^? 1000.00 315 GLU A 15 GLU.? 1000.00 390 TYR A 6 TYR^? 1000.00 coo 32.46 99.13 19.34 30.94 100.38 20.07 29.43 -11.47 -24.77 28.22 -12.20 -26.29 coo 32.04 94.22 18.23 30.57 94.75 16.88 31.83 -13.52 -21.46 31.81 -11.49 -22.03 coo 21.10 94.74 18.36 23.09 96.71 18.59 23.82 -22.13 -22.62 23.54 -22.15 -19.84 ULMN 3 1ctn_c00 CHITINASE A (E.C.3.2.1.14) (PH 5.5, user 2 3 # 2 313 ASP B 64 ASP^? 1000.00 315 GLU B 15 GLU^? 1000.00 390 TYR B 6 TYR^? 1000.00 coo 32.46 99.13 19.34 30.94 100.38 20.07 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 coo 32.04 94.22 18.23 30.57 94.75 16.88 -4.24 -34.31 -88.08 -5.97 -33.27 -87.50 coo 21.10 94.74 18.36 23.09 96.71 18.59 7.23 -31.69 -86.93 7.39 -31.46 -89.70 1ctn_c00 source 1ctn CHITINASE A (E.C.3.2.1.14) (PH 5.5, 4 DEGREES : 2 hits 1ctn_c00 naa= 3 ULMN 3 1cwy_c00 AMYLOMALTASE user 1 3 # 1 A 293 ASP A 64 ASP^? 1000.00 A 340 GLU A 15 GLU.? 1000.00 A 395 ASP A 13 ASP.? 1000.00 coo -48.00 -26.48 6.86 -46.51 -25.94 5.49 29.43 -11.47 -24.77 28.22 -12.20 -26.29 coo -43.58 -29.03 7.13 -42.45 -27.34 7.75 31.83 -13.52 -21.46 31.81 -11.49 -22.03 coo -42.28 -26.47 -1.32 -44.06 -25.60 -0.58 35.39 -17.87 -27.45 36.78 -19.31 -28.08 ULMN 3 1cwy_c00 AMYLOMALTASE user 2 3 # 2 A 293 ASP B 64 ASP^? 1000.00 A 340 GLU B 15 GLU^? 1000.00 A 395 ASP B 13 ASP^? 1000.00 coo -48.00 -26.48 6.86 -46.51 -25.94 5.49 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 coo -43.58 -29.03 7.13 -42.45 -27.34 7.75 -4.24 -34.31 -88.08 -5.97 -33.27 -87.50 coo -42.28 -26.47 -1.32 -44.06 -25.60 -0.58 -2.24 -39.57 -82.10 -1.69 -41.51 -81.47 1cwy_c00 source 1cwy AMYLOMALTASE : 2 hits 1cwy_c00 naa= 3 ULMN 3 1d6o_c00 FK506-BINDING PROTEIN user 1 3 # 1 A 37 ASP A 64 ASP^? 1000.00 A 56 ILE A 7 ILE^? 1000.00 A 82 TYR A 6 TYR^? 1000.00 coo 57.53 -0.59 -5.76 57.73 0.50 -3.97 29.43 -11.47 -24.77 28.22 -12.20 -26.29 coo 60.23 -10.38 -0.25 59.76 -9.69 -1.44 23.52 -20.13 -29.28 23.38 -19.25 -30.42 coo 54.60 -10.25 -2.46 55.96 -7.94 -1.62 23.82 -22.13 -22.62 23.54 -22.15 -19.84 ULMN 3 1d6o_c00 FK506-BINDING PROTEIN user 2 3 # 2 A 37 ASP A 64 ASP^? 1000.00 A 56 ILE A 126 ILE^? 1000.00 A 82 TYR A 110 TYR^? 1000.00 coo 57.53 -0.59 -5.76 57.73 0.50 -3.97 29.43 -11.47 -24.77 28.22 -12.20 -26.29 coo 60.23 -10.38 -0.25 59.76 -9.69 -1.44 22.32 -12.21 -33.99 23.01 -12.06 -33.46 coo 54.60 -10.25 -2.46 55.96 -7.94 -1.62 25.37 -7.28 -35.31 26.28 -6.16 -32.97 ULMN 3 1d6o_c00 FK506-BINDING PROTEIN user 3 3 # 3 A 37 ASP B 64 ASP^? 1000.00 A 56 ILE B 7 ILE^? 1000.00 A 82 TYR B 6 TYR^? 1000.00 coo 57.53 -0.59 -5.76 57.73 0.50 -3.97 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 coo 60.23 -10.38 -0.25 59.76 -9.69 -1.44 5.65 -30.43 -80.27 4.97 -29.87 -79.12 coo 54.60 -10.25 -2.46 55.96 -7.94 -1.62 7.23 -31.69 -86.93 7.39 -31.46 -89.70 ULMN 3 1d6o_c00 FK506-BINDING PROTEIN user 4 3 # 4 A 37 ASP B 64 ASP^? 1000.00 A 56 ILE B 126 ILE^? 1000.00 A 82 TYR B 110 TYR^? 1000.00 coo 57.53 -0.59 -5.76 57.73 0.50 -3.97 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 coo 60.23 -10.38 -0.25 59.76 -9.69 -1.44 -0.60 -25.43 -75.55 -1.09 -25.95 -76.09 coo 54.60 -10.25 -2.46 55.96 -7.94 -1.62 -6.38 -25.61 -74.23 -7.82 -25.83 -76.58 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 64 ASP^? 1000.00 B 56 ILE A 7 ILE^? 1000.00 B 82 TYR A 6 TYR^? 1000.00 coo 60.36 -17.02 -33.28 60.59 -15.91 -31.49 29.43 -11.47 -24.77 28.22 -12.20 -26.29 coo 63.12 -26.85 -28.11 62.65 -26.16 -29.29 23.52 -20.13 -29.28 23.38 -19.25 -30.42 coo 57.53 -26.71 -30.24 58.93 -24.39 -29.50 23.82 -22.13 -22.62 23.54 -22.15 -19.84 ULMN 3 1d6o_c01 FK506-BINDING PROTEIN user 2 3 # 2 B 37 ASP A 64 ASP^? 1000.00 B 56 ILE A 126 ILE^? 1000.00 B 82 TYR A 110 TYR^? 1000.00 coo 60.36 -17.02 -33.28 60.59 -15.91 -31.49 29.43 -11.47 -24.77 28.22 -12.20 -26.29 coo 63.12 -26.85 -28.11 62.65 -26.16 -29.29 22.32 -12.21 -33.99 23.01 -12.06 -33.46 coo 57.53 -26.71 -30.24 58.93 -24.39 -29.50 25.37 -7.28 -35.31 26.28 -6.16 -32.97 ULMN 3 1d6o_c01 FK506-BINDING PROTEIN user 3 3 # 3 B 37 ASP B 64 ASP^? 1000.00 B 56 ILE B 7 ILE^? 1000.00 B 82 TYR B 6 TYR^? 1000.00 coo 60.36 -17.02 -33.28 60.59 -15.91 -31.49 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 coo 63.12 -26.85 -28.11 62.65 -26.16 -29.29 5.65 -30.43 -80.27 4.97 -29.87 -79.12 coo 57.53 -26.71 -30.24 58.93 -24.39 -29.50 7.23 -31.69 -86.93 7.39 -31.46 -89.70 ULMN 3 1d6o_c01 FK506-BINDING PROTEIN user 4 3 # 4 B 37 ASP B 64 ASP^? 1000.00 B 56 ILE B 126 ILE^? 1000.00 B 82 TYR B 110 TYR^? 1000.00 coo 60.36 -17.02 -33.28 60.59 -15.91 -31.49 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 coo 63.12 -26.85 -28.11 62.65 -26.16 -29.29 -0.60 -25.43 -75.55 -1.09 -25.95 -76.09 coo 57.53 -26.71 -30.24 58.93 -24.39 -29.50 -6.38 -25.61 -74.23 -7.82 -25.83 -76.58 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 A 137 TYR^? 1000.00 A 243 ASP A 19 ASP~? 1000.00 A 272 LYS A 23 LYS.? 1000.00 coo 2.03 68.31 21.46 0.66 68.36 23.90 11.20 -32.30 -26.46 9.73 -31.88 -24.14 coo 16.93 55.67 9.65 17.16 54.23 11.19 29.74 -27.57 -15.65 30.35 -27.04 -13.70 coo 14.13 45.79 13.40 14.25 49.41 18.30 32.67 -20.15 -23.43 38.88 -20.02 -24.22 ULMN 3 1d7r_c02 2,2-DIALKYLGLYCINE DECARBOXYLASE (PYuser 2 3 # 2 A 173 TYR B 137 TYR^? 1000.00 A 243 ASP B 19 ASP^? 1000.00 A 272 LYS B 23 LYS^? 1000.00 coo 2.03 68.31 21.46 0.66 68.36 23.90 22.35 -25.87 -83.10 22.72 -24.38 -85.42 coo 16.93 55.67 9.65 17.16 54.23 11.19 8.97 -39.53 -93.90 8.21 -39.80 -95.86 coo 14.13 45.79 13.40 14.25 49.41 18.30 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 1d7r_c02 source 1d7r 2,2-DIALKYLGLYCINE DECARBOXYLASE (PYRUVATE) : 2 hits 1d7r_c02 naa= 3 ULMN 3 1daa_c00 D-AMINO ACID AMINOTRANSFERASE user 1 3 # 1 A 145 LYS A 69 LYS^? 1000.00 A 177 GLU A 124 GLU^? 1000.00 A 201 LEU A 70 LEU^? 1000.00 coo 46.63 -7.12 50.78 48.41 -11.39 47.79 32.90 -11.51 -34.53 36.58 -11.70 -35.14 coo 47.18 -4.46 40.10 47.54 -4.70 42.20 24.17 -8.38 -29.24 26.07 -8.88 -30.07 coo 49.45 -5.57 45.73 49.73 -6.78 47.47 28.13 -11.32 -33.81 27.84 -13.10 -32.55 ULMN 3 1daa_c00 D-AMINO ACID AMINOTRANSFERASE user 2 3 # 2 A 145 LYS A 101 LYS^? 1000.00 A 177 GLU A 86 GLU^? 1000.00 A 201 LEU A 85 LEU^? 1000.00 coo 46.63 -7.12 50.78 48.41 -11.39 47.79 21.27 -27.97 -34.76 23.33 -33.29 -31.87 coo 47.18 -4.46 40.10 47.54 -4.70 42.20 21.78 -27.43 -25.47 23.65 -28.43 -25.48 coo 49.45 -5.57 45.73 49.73 -6.78 47.47 19.89 -23.42 -30.59 18.52 -22.06 -29.57 ULMN 3 1daa_c00 D-AMINO ACID AMINOTRANSFERASE user 3 3 # 3 A 145 LYS B 69 LYS^? 1000.00 A 177 GLU B 124 GLU^? 1000.00 A 201 LEU B 70 LEU^? 1000.00 coo 46.63 -7.12 50.78 48.41 -11.39 47.79 -6.51 -34.23 -75.02 -8.20 -37.51 -74.40 coo 47.18 -4.46 40.10 47.54 -4.70 42.20 -4.84 -25.10 -80.31 -5.35 -27.01 -79.49 coo 49.45 -5.57 45.73 49.73 -6.78 47.47 -4.27 -30.01 -75.73 -2.59 -30.64 -76.99 ULMN 3 1daa_c00 D-AMINO ACID AMINOTRANSFERASE user 4 3 # 4 A 145 LYS B 101 LYS^? 1000.00 A 177 GLU B 86 GLU^? 1000.00 A 201 LEU B 85 LEU^? 1000.00 coo 46.63 -7.12 50.78 48.41 -11.39 47.79 13.59 -32.41 -74.79 17.17 -36.84 -77.71 coo 47.18 -4.46 40.10 47.54 -4.70 42.20 12.86 -32.58 -84.08 12.77 -34.69 -84.08 coo 49.45 -5.57 45.73 49.73 -6.78 47.47 10.33 -28.93 -78.96 9.83 -27.07 -79.99 1daa_c00 source 1daa D-AMINO ACID AMINOTRANSFERASE : 4 hits 1daa_c00 naa= 3 ULMN 3 1daa_c01 D-AMINO ACID AMINOTRANSFERASE user 1 3 # 1 B 145 LYS A 8 LYS^? 1000.00 B 177 GLU A 86 GLU^? 1000.00 B 201 LEU A 85 LEU^? 1000.00 coo 25.29 -4.12 49.41 22.68 -2.48 54.25 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 27.00 6.35 51.01 26.30 4.53 50.18 21.78 -27.43 -25.47 23.65 -28.43 -25.48 coo 23.74 1.68 49.50 22.87 -0.24 49.97 19.89 -23.42 -30.59 18.52 -22.06 -29.57 ULMN 3 1daa_c01 D-AMINO ACID AMINOTRANSFERASE user 2 3 # 2 B 145 LYS A 69 LYS^? 1000.00 B 177 GLU A 124 GLU^? 1000.00 B 201 LEU A 70 LEU^? 1000.00 coo 25.29 -4.12 49.41 22.68 -2.48 54.25 32.90 -11.51 -34.53 36.58 -11.70 -35.14 coo 27.00 6.35 51.01 26.30 4.53 50.18 24.17 -8.38 -29.24 26.07 -8.88 -30.07 coo 23.74 1.68 49.50 22.87 -0.24 49.97 28.13 -11.32 -33.81 27.84 -13.10 -32.55 ULMN 3 1daa_c01 D-AMINO ACID AMINOTRANSFERASE user 3 3 # 3 B 145 LYS A 101 LYS^? 1000.00 B 177 GLU A 86 GLU^? 1000.00 B 201 LEU A 85 LEU^? 1000.00 coo 25.29 -4.12 49.41 22.68 -2.48 54.25 21.27 -27.97 -34.76 23.33 -33.29 -31.87 coo 27.00 6.35 51.01 26.30 4.53 50.18 21.78 -27.43 -25.47 23.65 -28.43 -25.48 coo 23.74 1.68 49.50 22.87 -0.24 49.97 19.89 -23.42 -30.59 18.52 -22.06 -29.57 ULMN 3 1daa_c01 D-AMINO ACID AMINOTRANSFERASE user 4 3 # 4 B 145 LYS B 8 LYS^? 1000.00 B 177 GLU B 86 GLU^? 1000.00 B 201 LEU B 85 LEU^? 1000.00 coo 25.29 -4.12 49.41 22.68 -2.48 54.25 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 27.00 6.35 51.01 26.30 4.53 50.18 12.86 -32.58 -84.08 12.77 -34.69 -84.08 coo 23.74 1.68 49.50 22.87 -0.24 49.97 10.33 -28.93 -78.96 9.83 -27.07 -79.99 ULMN 3 1daa_c01 D-AMINO ACID AMINOTRANSFERASE user 5 3 # 5 B 145 LYS B 69 LYS^? 1000.00 B 177 GLU B 124 GLU^? 1000.00 B 201 LEU B 70 LEU^? 1000.00 coo 25.29 -4.12 49.41 22.68 -2.48 54.25 -6.51 -34.23 -75.02 -8.20 -37.51 -74.40 coo 27.00 6.35 51.01 26.30 4.53 50.18 -4.84 -25.10 -80.31 -5.35 -27.01 -79.49 coo 23.74 1.68 49.50 22.87 -0.24 49.97 -4.27 -30.01 -75.73 -2.59 -30.64 -76.99 ULMN 3 1daa_c01 D-AMINO ACID AMINOTRANSFERASE user 6 3 # 6 B 145 LYS B 101 LYS^? 1000.00 B 177 GLU B 86 GLU^? 1000.00 B 201 LEU B 85 LEU^? 1000.00 coo 25.29 -4.12 49.41 22.68 -2.48 54.25 13.59 -32.41 -74.79 17.17 -36.84 -77.71 coo 27.00 6.35 51.01 26.30 4.53 50.18 12.86 -32.58 -84.08 12.77 -34.69 -84.08 coo 23.74 1.68 49.50 22.87 -0.24 49.97 10.33 -28.93 -78.96 9.83 -27.07 -79.99 1daa_c01 source 1daa D-AMINO ACID AMINOTRANSFERASE : 6 hits 1daa_c01 naa= 3 ULMN 3 1ddj_c12 PLASMINOGEN user 1 3 # 1 A 603 HIS A 21 HIS~? 1000.00 A 646 ASP A 4 ASP^? 1000.00 A 739 GLY A 92 GLY^? 1000.00 coo 17.92 60.45 -3.51 16.63 61.88 -2.68 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo 18.60 56.26 -8.31 18.53 57.26 -6.47 19.46 -21.33 -18.77 18.88 -20.63 -16.86 coo 11.37 50.89 2.29 11.05 51.63 2.25 16.47 -31.18 -12.42 17.07 -30.66 -12.24 ULMN 3 1ddj_c12 PLASMINOGEN user 2 3 # 2 A 603 HIS A 21 HIS~? 1000.00 A 646 ASP A 18 ASP~? 1000.00 A 739 GLY A 92 GLY^? 1000.00 coo 17.92 60.45 -3.51 16.63 61.88 -2.68 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo 18.60 56.26 -8.31 18.53 57.26 -6.47 26.87 -23.27 -16.72 26.31 -23.96 -18.62 coo 11.37 50.89 2.29 11.05 51.63 2.25 16.47 -31.18 -12.42 17.07 -30.66 -12.24 ULMN 3 1ddj_c12 PLASMINOGEN user 3 3 # 3 A 603 HIS A 21 HIS~? 1000.00 A 646 ASP A 19 ASP~? 1000.00 A 739 GLY A 92 GLY^? 1000.00 coo 17.92 60.45 -3.51 16.63 61.88 -2.68 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo 18.60 56.26 -8.31 18.53 57.26 -6.47 29.74 -27.57 -15.65 30.35 -27.04 -13.70 coo 11.37 50.89 2.29 11.05 51.63 2.25 16.47 -31.18 -12.42 17.07 -30.66 -12.24 ULMN 3 1ddj_c12 PLASMINOGEN user 4 3 # 4 A 603 HIS B 21 HIS^? 1000.00 A 646 ASP B 4 ASP^? 1000.00 A 739 GLY B 92 GLY^? 1000.00 coo 17.92 60.45 -3.51 16.63 61.88 -2.68 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo 18.60 56.26 -8.31 18.53 57.26 -6.47 8.72 -27.52 -90.78 8.40 -26.67 -92.69 coo 11.37 50.89 2.29 11.05 51.63 2.25 18.75 -29.85 -97.13 18.00 -30.11 -97.32 ULMN 3 1ddj_c12 PLASMINOGEN user 5 3 # 5 A 603 HIS B 21 HIS^? 1000.00 A 646 ASP B 18 ASP^? 1000.00 A 739 GLY B 92 GLY^? 1000.00 coo 17.92 60.45 -3.51 16.63 61.88 -2.68 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo 18.60 56.26 -8.31 18.53 57.26 -6.47 6.68 -34.89 -92.82 7.57 -34.75 -90.92 coo 11.37 50.89 2.29 11.05 51.63 2.25 18.75 -29.85 -97.13 18.00 -30.11 -97.32 ULMN 3 1ddj_c12 PLASMINOGEN user 6 3 # 6 A 603 HIS B 21 HIS^? 1000.00 A 646 ASP B 19 ASP^? 1000.00 A 739 GLY B 92 GLY^? 1000.00 coo 17.92 60.45 -3.51 16.63 61.88 -2.68 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo 18.60 56.26 -8.31 18.53 57.26 -6.47 8.97 -39.53 -93.90 8.21 -39.80 -95.86 coo 11.37 50.89 2.29 11.05 51.63 2.25 18.75 -29.85 -97.13 18.00 -30.11 -97.32 1ddj_c12 source 1ddj PLASMINOGEN : 6 hits 1ddj_c12 naa= 3 ULMN 3 1ddj_c13 PLASMINOGEN user 1 3 # 1 B 603 HIS A 21 HIS~? 1000.00 B 646 ASP A 18 ASP~? 1000.00 B 739 GLY A 92 GLY^? 1000.00 coo -28.76 37.11 -20.75 -29.48 38.32 -19.19 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo -23.42 34.83 -23.78 -25.09 36.03 -23.31 26.87 -23.27 -16.72 26.31 -23.96 -18.62 coo -24.60 49.24 -23.60 -24.80 48.99 -22.86 16.47 -31.18 -12.42 17.07 -30.66 -12.24 ULMN 3 1ddj_c13 PLASMINOGEN user 2 3 # 2 B 603 HIS A 21 HIS~? 1000.00 B 646 ASP A 19 ASP~? 1000.00 B 739 GLY A 92 GLY^? 1000.00 coo -28.76 37.11 -20.75 -29.48 38.32 -19.19 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo -23.42 34.83 -23.78 -25.09 36.03 -23.31 29.74 -27.57 -15.65 30.35 -27.04 -13.70 coo -24.60 49.24 -23.60 -24.80 48.99 -22.86 16.47 -31.18 -12.42 17.07 -30.66 -12.24 ULMN 3 1ddj_c13 PLASMINOGEN user 3 3 # 3 B 603 HIS B 21 HIS^? 1000.00 B 646 ASP B 18 ASP^? 1000.00 B 739 GLY B 92 GLY^? 1000.00 coo -28.76 37.11 -20.75 -29.48 38.32 -19.19 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo -23.42 34.83 -23.78 -25.09 36.03 -23.31 6.68 -34.89 -92.82 7.57 -34.75 -90.92 coo -24.60 49.24 -23.60 -24.80 48.99 -22.86 18.75 -29.85 -97.13 18.00 -30.11 -97.32 ULMN 3 1ddj_c13 PLASMINOGEN user 4 3 # 4 B 603 HIS B 21 HIS^? 1000.00 B 646 ASP B 19 ASP^? 1000.00 B 739 GLY B 92 GLY^? 1000.00 coo -28.76 37.11 -20.75 -29.48 38.32 -19.19 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo -23.42 34.83 -23.78 -25.09 36.03 -23.31 8.97 -39.53 -93.90 8.21 -39.80 -95.86 coo -24.60 49.24 -23.60 -24.80 48.99 -22.86 18.75 -29.85 -97.13 18.00 -30.11 -97.32 1ddj_c13 source 1ddj PLASMINOGEN : 4 hits 1ddj_c13 naa= 3 ULMN 3 1ddj_c14 PLASMINOGEN user 1 3 # 1 C 603 HIS A 21 HIS~? 1000.00 C 646 ASP A 18 ASP~? 1000.00 C 739 GLY A 92 GLY^? 1000.00 coo 15.33 59.81 59.60 13.98 60.99 60.69 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo 16.06 55.72 54.73 15.97 56.49 56.70 26.87 -23.27 -16.72 26.31 -23.96 -18.62 coo 9.38 49.29 65.28 9.01 50.03 65.31 16.47 -31.18 -12.42 17.07 -30.66 -12.24 ULMN 3 1ddj_c14 PLASMINOGEN user 2 3 # 2 C 603 HIS A 21 HIS~? 1000.00 C 646 ASP A 19 ASP~? 1000.00 C 739 GLY A 92 GLY^? 1000.00 coo 15.33 59.81 59.60 13.98 60.99 60.69 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo 16.06 55.72 54.73 15.97 56.49 56.70 29.74 -27.57 -15.65 30.35 -27.04 -13.70 coo 9.38 49.29 65.28 9.01 50.03 65.31 16.47 -31.18 -12.42 17.07 -30.66 -12.24 ULMN 3 1ddj_c14 PLASMINOGEN user 3 3 # 3 C 603 HIS B 21 HIS^? 1000.00 C 646 ASP B 18 ASP^? 1000.00 C 739 GLY B 92 GLY^? 1000.00 coo 15.33 59.81 59.60 13.98 60.99 60.69 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo 16.06 55.72 54.73 15.97 56.49 56.70 6.68 -34.89 -92.82 7.57 -34.75 -90.92 coo 9.38 49.29 65.28 9.01 50.03 65.31 18.75 -29.85 -97.13 18.00 -30.11 -97.32 ULMN 3 1ddj_c14 PLASMINOGEN user 4 3 # 4 C 603 HIS B 21 HIS^? 1000.00 C 646 ASP B 19 ASP^? 1000.00 C 739 GLY B 92 GLY^? 1000.00 coo 15.33 59.81 59.60 13.98 60.99 60.69 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo 16.06 55.72 54.73 15.97 56.49 56.70 8.97 -39.53 -93.90 8.21 -39.80 -95.86 coo 9.38 49.29 65.28 9.01 50.03 65.31 18.75 -29.85 -97.13 18.00 -30.11 -97.32 1ddj_c14 source 1ddj PLASMINOGEN : 4 hits 1ddj_c14 naa= 3 ULMN 3 1ddj_c15 PLASMINOGEN user 1 3 # 1 D 603 HIS A 21 HIS~? 1000.00 D 646 ASP A 18 ASP~? 1000.00 D 739 GLY A 92 GLY^? 1000.00 coo -30.51 33.83 43.05 -30.50 33.12 45.03 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo -25.73 33.05 39.28 -27.50 34.05 39.88 26.87 -23.27 -16.72 26.31 -23.96 -18.62 coo -27.66 47.32 40.66 -27.81 47.01 41.41 16.47 -31.18 -12.42 17.07 -30.66 -12.24 ULMN 3 1ddj_c15 PLASMINOGEN user 2 3 # 2 D 603 HIS A 21 HIS~? 1000.00 D 646 ASP A 19 ASP~? 1000.00 D 739 GLY A 92 GLY^? 1000.00 coo -30.51 33.83 43.05 -30.50 33.12 45.03 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo -25.73 33.05 39.28 -27.50 34.05 39.88 29.74 -27.57 -15.65 30.35 -27.04 -13.70 coo -27.66 47.32 40.66 -27.81 47.01 41.41 16.47 -31.18 -12.42 17.07 -30.66 -12.24 ULMN 3 1ddj_c15 PLASMINOGEN user 3 3 # 3 D 603 HIS B 21 HIS^? 1000.00 D 646 ASP B 18 ASP^? 1000.00 D 739 GLY B 92 GLY^? 1000.00 coo -30.51 33.83 43.05 -30.50 33.12 45.03 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo -25.73 33.05 39.28 -27.50 34.05 39.88 6.68 -34.89 -92.82 7.57 -34.75 -90.92 coo -27.66 47.32 40.66 -27.81 47.01 41.41 18.75 -29.85 -97.13 18.00 -30.11 -97.32 ULMN 3 1ddj_c15 PLASMINOGEN user 4 3 # 4 D 603 HIS B 21 HIS^? 1000.00 D 646 ASP B 19 ASP^? 1000.00 D 739 GLY B 92 GLY^? 1000.00 coo -30.51 33.83 43.05 -30.50 33.12 45.03 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo -25.73 33.05 39.28 -27.50 34.05 39.88 8.97 -39.53 -93.90 8.21 -39.80 -95.86 coo -27.66 47.32 40.66 -27.81 47.01 41.41 18.75 -29.85 -97.13 18.00 -30.11 -97.32 1ddj_c15 source 1ddj PLASMINOGEN : 4 hits 1ddj_c15 naa= 3 ULMN 3 1dfo_c04 SERINE HYDROXYMETHYLTRANSFERASE user 1 3 # 1 A 57 GLU A 26 GLU^? 1000.00 A 226 THR A 103 THR^? 1000.00 A 229 LYS A 131 LYS^? 1000.00 coo 9.66 102.78 70.07 9.79 101.18 71.42 25.58 -17.25 -21.04 25.74 -16.50 -19.06 coo 7.24 97.46 49.60 8.11 95.69 48.80 24.28 -26.60 -40.66 24.51 -28.76 -40.89 coo 10.53 97.56 43.71 9.33 93.71 47.17 20.68 -24.51 -44.83 21.09 -22.52 -49.85 ULMN 3 1dfo_c04 SERINE HYDROXYMETHYLTRANSFERASE user 2 3 # 2 A 57 GLU A 37 GLU.? 1000.00 A 226 THR B 103 THR^? 1000.00 A 229 LYS B 101 LYS^? 1000.00 coo 9.66 102.78 70.07 9.79 101.18 71.42 3.27 -23.51 -50.22 3.61 -22.69 -52.14 coo 7.24 97.46 49.60 8.11 95.69 48.80 10.89 -34.34 -68.89 12.65 -35.61 -68.66 coo 10.53 97.56 43.71 9.33 93.71 47.17 13.59 -32.41 -74.79 17.17 -36.84 -77.71 ULMN 3 1dfo_c04 SERINE HYDROXYMETHYLTRANSFERASE user 3 3 # 3 A 57 GLU B 26 GLU^? 1000.00 A 226 THR B 103 THR^? 1000.00 A 229 LYS B 131 LYS^? 1000.00 coo 9.66 102.78 70.07 9.79 101.18 71.42 2.14 -30.76 -88.51 1.40 -30.52 -90.48 coo 7.24 97.46 49.60 8.11 95.69 48.80 10.89 -34.34 -68.89 12.65 -35.61 -68.66 coo 10.53 97.56 43.71 9.33 93.71 47.17 10.88 -30.17 -64.72 8.95 -29.51 -59.71 ULMN 3 1dfo_c04 SERINE HYDROXYMETHYLTRANSFERASE user 4 3 # 4 A 57 GLU B 37 GLU^? 1000.00 A 226 THR A 103 THR^? 1000.00 A 229 LYS A 101 LYS^? 1000.00 coo 9.66 102.78 70.07 9.79 101.18 71.42 18.74 -14.61 -59.32 17.87 -14.48 -57.40 coo 7.24 97.46 49.60 8.11 95.69 48.80 24.28 -26.60 -40.66 24.51 -28.76 -40.89 coo 10.53 97.56 43.71 9.33 93.71 47.17 21.27 -27.97 -34.76 23.33 -33.29 -31.87 1dfo_c04 source 1dfo SERINE HYDROXYMETHYLTRANSFERASE : 4 hits 1dfo_c04 naa= 3 ULMN 3 1dfo_c05 SERINE HYDROXYMETHYLTRANSFERASE user 1 3 # 1 B 57 GLU A 26 GLU^? 1000.00 B 226 THR A 103 THR^? 1000.00 B 229 LYS A 131 LYS^? 1000.00 coo 15.90 87.61 49.61 13.92 86.96 49.36 25.58 -17.25 -21.04 25.74 -16.50 -19.06 coo 20.74 95.78 68.68 19.29 96.84 69.83 24.28 -26.60 -40.66 24.51 -28.76 -40.89 coo 22.32 101.61 71.64 17.89 98.63 71.55 20.68 -24.51 -44.83 21.09 -22.52 -49.85 ULMN 3 1dfo_c05 SERINE HYDROXYMETHYLTRANSFERASE user 2 3 # 2 B 57 GLU A 37 GLU.? 1000.00 B 226 THR B 103 THR^? 1000.00 B 229 LYS B 101 LYS^? 1000.00 coo 15.90 87.61 49.61 13.92 86.96 49.36 3.27 -23.51 -50.22 3.61 -22.69 -52.14 coo 20.74 95.78 68.68 19.29 96.84 69.83 10.89 -34.34 -68.89 12.65 -35.61 -68.66 coo 22.32 101.61 71.64 17.89 98.63 71.55 13.59 -32.41 -74.79 17.17 -36.84 -77.71 ULMN 3 1dfo_c05 SERINE HYDROXYMETHYLTRANSFERASE user 3 3 # 3 B 57 GLU B 26 GLU^? 1000.00 B 226 THR B 103 THR^? 1000.00 B 229 LYS B 131 LYS^? 1000.00 coo 15.90 87.61 49.61 13.92 86.96 49.36 2.14 -30.76 -88.51 1.40 -30.52 -90.48 coo 20.74 95.78 68.68 19.29 96.84 69.83 10.89 -34.34 -68.89 12.65 -35.61 -68.66 coo 22.32 101.61 71.64 17.89 98.63 71.55 10.88 -30.17 -64.72 8.95 -29.51 -59.71 ULMN 3 1dfo_c05 SERINE HYDROXYMETHYLTRANSFERASE user 4 3 # 4 B 57 GLU B 37 GLU^? 1000.00 B 226 THR A 103 THR^? 1000.00 B 229 LYS A 101 LYS^? 1000.00 coo 15.90 87.61 49.61 13.92 86.96 49.36 18.74 -14.61 -59.32 17.87 -14.48 -57.40 coo 20.74 95.78 68.68 19.29 96.84 69.83 24.28 -26.60 -40.66 24.51 -28.76 -40.89 coo 22.32 101.61 71.64 17.89 98.63 71.55 21.27 -27.97 -34.76 23.33 -33.29 -31.87 1dfo_c05 source 1dfo SERINE HYDROXYMETHYLTRANSFERASE : 4 hits 1dfo_c05 naa= 3 ULMN 3 1dfo_c06 SERINE HYDROXYMETHYLTRANSFERASE user 1 3 # 1 C 57 GLU A 26 GLU^? 1000.00 C 226 THR A 103 THR^? 1000.00 C 229 LYS A 131 LYS^? 1000.00 coo 5.43 40.40 61.63 4.27 41.99 60.90 25.58 -17.25 -21.04 25.74 -16.50 -19.06 coo 22.16 45.88 73.63 23.23 47.70 73.25 24.28 -26.60 -40.66 24.51 -28.76 -40.89 coo 28.90 45.91 73.55 25.22 49.72 72.97 20.68 -24.51 -44.83 21.09 -22.52 -49.85 ULMN 3 1dfo_c06 SERINE HYDROXYMETHYLTRANSFERASE user 2 3 # 2 C 57 GLU A 37 GLU.? 1000.00 C 226 THR B 103 THR^? 1000.00 C 229 LYS B 101 LYS^? 1000.00 coo 5.43 40.40 61.63 4.27 41.99 60.90 3.27 -23.51 -50.22 3.61 -22.69 -52.14 coo 22.16 45.88 73.63 23.23 47.70 73.25 10.89 -34.34 -68.89 12.65 -35.61 -68.66 coo 28.90 45.91 73.55 25.22 49.72 72.97 13.59 -32.41 -74.79 17.17 -36.84 -77.71 ULMN 3 1dfo_c06 SERINE HYDROXYMETHYLTRANSFERASE user 3 3 # 3 C 57 GLU B 26 GLU^? 1000.00 C 226 THR B 103 THR^? 1000.00 C 229 LYS B 131 LYS^? 1000.00 coo 5.43 40.40 61.63 4.27 41.99 60.90 2.14 -30.76 -88.51 1.40 -30.52 -90.48 coo 22.16 45.88 73.63 23.23 47.70 73.25 10.89 -34.34 -68.89 12.65 -35.61 -68.66 coo 28.90 45.91 73.55 25.22 49.72 72.97 10.88 -30.17 -64.72 8.95 -29.51 -59.71 ULMN 3 1dfo_c06 SERINE HYDROXYMETHYLTRANSFERASE user 4 3 # 4 C 57 GLU B 37 GLU^? 1000.00 C 226 THR A 103 THR^? 1000.00 C 229 LYS A 101 LYS^? 1000.00 coo 5.43 40.40 61.63 4.27 41.99 60.90 18.74 -14.61 -59.32 17.87 -14.48 -57.40 coo 22.16 45.88 73.63 23.23 47.70 73.25 24.28 -26.60 -40.66 24.51 -28.76 -40.89 coo 28.90 45.91 73.55 25.22 49.72 72.97 21.27 -27.97 -34.76 23.33 -33.29 -31.87 1dfo_c06 source 1dfo SERINE HYDROXYMETHYLTRANSFERASE : 4 hits 1dfo_c06 naa= 3 ULMN 3 1dfo_c07 SERINE HYDROXYMETHYLTRANSFERASE user 1 3 # 1 D 57 GLU A 26 GLU^? 1000.00 D 226 THR A 103 THR^? 1000.00 D 229 LYS A 131 LYS^? 1000.00 coo 26.07 55.89 66.14 25.33 56.50 68.01 25.58 -17.25 -21.04 25.74 -16.50 -19.06 coo 11.79 47.62 52.67 10.10 46.51 53.39 24.28 -26.60 -40.66 24.51 -28.76 -40.89 coo 10.05 41.79 49.80 7.94 44.71 53.76 20.68 -24.51 -44.83 21.09 -22.52 -49.85 ULMN 3 1dfo_c07 SERINE HYDROXYMETHYLTRANSFERASE user 2 3 # 2 D 57 GLU A 37 GLU.? 1000.00 D 226 THR B 103 THR^? 1000.00 D 229 LYS B 101 LYS^? 1000.00 coo 26.07 55.89 66.14 25.33 56.50 68.01 3.27 -23.51 -50.22 3.61 -22.69 -52.14 coo 11.79 47.62 52.67 10.10 46.51 53.39 10.89 -34.34 -68.89 12.65 -35.61 -68.66 coo 10.05 41.79 49.80 7.94 44.71 53.76 13.59 -32.41 -74.79 17.17 -36.84 -77.71 ULMN 3 1dfo_c07 SERINE HYDROXYMETHYLTRANSFERASE user 3 3 # 3 D 57 GLU B 26 GLU^? 1000.00 D 226 THR B 103 THR^? 1000.00 D 229 LYS B 131 LYS^? 1000.00 coo 26.07 55.89 66.14 25.33 56.50 68.01 2.14 -30.76 -88.51 1.40 -30.52 -90.48 coo 11.79 47.62 52.67 10.10 46.51 53.39 10.89 -34.34 -68.89 12.65 -35.61 -68.66 coo 10.05 41.79 49.80 7.94 44.71 53.76 10.88 -30.17 -64.72 8.95 -29.51 -59.71 ULMN 3 1dfo_c07 SERINE HYDROXYMETHYLTRANSFERASE user 4 3 # 4 D 57 GLU B 37 GLU^? 1000.00 D 226 THR A 103 THR^? 1000.00 D 229 LYS A 101 LYS^? 1000.00 coo 26.07 55.89 66.14 25.33 56.50 68.01 18.74 -14.61 -59.32 17.87 -14.48 -57.40 coo 11.79 47.62 52.67 10.10 46.51 53.39 24.28 -26.60 -40.66 24.51 -28.76 -40.89 coo 10.05 41.79 49.80 7.94 44.71 53.76 21.27 -27.97 -34.76 23.33 -33.29 -31.87 1dfo_c07 source 1dfo SERINE HYDROXYMETHYLTRANSFERASE : 4 hits 1dfo_c07 naa= 3 ULMN 3 1dfo_c12 SERINE HYDROXYMETHYLTRANSFERASE user 1 3 # 1 A 123 HIS A 104 HIS^? 1000.00 A 200 ASP A 127 ASP^? 1000.00 A 229 LYS A 61 LYS^? 1000.00 coo 1.13 77.49 40.64 0.62 75.57 39.98 26.00 -25.83 -44.92 27.18 -27.45 -45.56 coo 0.84 91.24 49.01 2.91 91.61 49.23 18.62 -12.41 -38.39 16.82 -11.65 -37.54 coo 10.53 97.56 43.71 9.33 93.71 47.17 21.64 -11.48 -26.11 26.63 -11.26 -28.52 ULMN 3 1dfo_c12 SERINE HYDROXYMETHYLTRANSFERASE user 2 3 # 2 A 123 HIS B 104 HIS^? 1000.00 A 200 ASP B 127 ASP^? 1000.00 A 229 LYS B 61 LYS^? 1000.00 coo 1.13 77.49 40.64 0.62 75.57 39.98 9.35 -35.44 -64.63 10.17 -37.27 -64.00 coo 0.84 91.24 49.01 2.91 91.61 49.23 1.44 -22.32 -71.15 1.70 -20.39 -72.00 coo 10.53 97.56 43.71 9.33 93.71 47.17 -0.89 -24.47 -83.43 -3.57 -28.69 -81.00 1dfo_c12 source 1dfo SERINE HYDROXYMETHYLTRANSFERASE : 2 hits 1dfo_c12 naa= 3 ULMN 3 1dfo_c13 SERINE HYDROXYMETHYLTRANSFERASE user 1 3 # 1 B 123 HIS A 104 HIS^? 1000.00 B 200 ASP A 127 ASP^? 1000.00 B 229 LYS A 61 LYS^? 1000.00 coo 9.24 94.26 88.22 8.02 94.07 89.92 26.00 -25.83 -44.92 27.18 -27.45 -45.56 coo 17.54 90.31 75.01 17.17 92.01 73.80 18.62 -12.41 -38.39 16.82 -11.65 -37.54 coo 22.32 101.61 71.64 17.89 98.63 71.55 21.64 -11.48 -26.11 26.63 -11.26 -28.52 ULMN 3 1dfo_c13 SERINE HYDROXYMETHYLTRANSFERASE user 2 3 # 2 B 123 HIS B 104 HIS^? 1000.00 B 200 ASP B 127 ASP^? 1000.00 B 229 LYS B 61 LYS^? 1000.00 coo 9.24 94.26 88.22 8.02 94.07 89.92 9.35 -35.44 -64.63 10.17 -37.27 -64.00 coo 17.54 90.31 75.01 17.17 92.01 73.80 1.44 -22.32 -71.15 1.70 -20.39 -72.00 coo 22.32 101.61 71.64 17.89 98.63 71.55 -0.89 -24.47 -83.43 -3.57 -28.69 -81.00 1dfo_c13 source 1dfo SERINE HYDROXYMETHYLTRANSFERASE : 2 hits 1dfo_c13 naa= 3 ULMN 3 1dfo_c14 SERINE HYDROXYMETHYLTRANSFERASE user 1 3 # 1 C 123 HIS A 104 HIS^? 1000.00 C 200 ASP A 127 ASP^? 1000.00 C 229 LYS A 61 LYS^? 1000.00 coo 26.77 65.84 83.49 27.06 67.76 84.27 26.00 -25.83 -44.92 27.18 -27.45 -45.56 coo 19.52 52.01 79.59 20.28 51.65 77.65 18.62 -12.41 -38.39 16.82 -11.65 -37.54 coo 28.90 45.91 73.55 25.22 49.72 72.97 21.64 -11.48 -26.11 26.63 -11.26 -28.52 ULMN 3 1dfo_c14 SERINE HYDROXYMETHYLTRANSFERASE user 2 3 # 2 C 123 HIS B 104 HIS^? 1000.00 C 200 ASP B 127 ASP^? 1000.00 C 229 LYS B 61 LYS^? 1000.00 coo 26.77 65.84 83.49 27.06 67.76 84.27 9.35 -35.44 -64.63 10.17 -37.27 -64.00 coo 19.52 52.01 79.59 20.28 51.65 77.65 1.44 -22.32 -71.15 1.70 -20.39 -72.00 coo 28.90 45.91 73.55 25.22 49.72 72.97 -0.89 -24.47 -83.43 -3.57 -28.69 -81.00 1dfo_c14 source 1dfo SERINE HYDROXYMETHYLTRANSFERASE : 2 hits 1dfo_c14 naa= 3 ULMN 3 1dfo_c15 SERINE HYDROXYMETHYLTRANSFERASE user 1 3 # 1 D 123 HIS A 104 HIS^? 1000.00 D 200 ASP A 127 ASP^? 1000.00 D 229 LYS A 61 LYS^? 1000.00 coo -10.90 48.74 53.41 -12.98 48.90 53.67 26.00 -25.83 -44.92 27.18 -27.45 -45.56 coo 4.60 52.95 52.50 5.57 51.29 53.40 18.62 -12.41 -38.39 16.82 -11.65 -37.54 coo 10.05 41.79 49.80 7.94 44.71 53.76 21.64 -11.48 -26.11 26.63 -11.26 -28.52 ULMN 3 1dfo_c15 SERINE HYDROXYMETHYLTRANSFERASE user 2 3 # 2 D 123 HIS B 104 HIS^? 1000.00 D 200 ASP B 127 ASP^? 1000.00 D 229 LYS B 61 LYS^? 1000.00 coo -10.90 48.74 53.41 -12.98 48.90 53.67 9.35 -35.44 -64.63 10.17 -37.27 -64.00 coo 4.60 52.95 52.50 5.57 51.29 53.40 1.44 -22.32 -71.15 1.70 -20.39 -72.00 coo 10.05 41.79 49.80 7.94 44.71 53.76 -0.89 -24.47 -83.43 -3.57 -28.69 -81.00 1dfo_c15 source 1dfo SERINE HYDROXYMETHYLTRANSFERASE : 2 hits 1dfo_c15 naa= 3 ULMN 3 1dhp_c02 DIHYDRODIPICOLINATE SYNTHASE user 1 3 # 1 A 44 THR A 60 THR^? 1000.00 A 45 THR A 125 THR^? 1000.00 A 161 LYS A 8 LYS^? 1000.00 coo 26.16 88.25 79.16 25.22 89.47 80.71 18.70 -12.02 -28.46 16.99 -10.77 -28.01 coo 27.73 89.90 76.08 29.24 91.46 75.95 19.61 -8.98 -31.91 17.52 -8.56 -31.86 coo 33.83 91.15 88.62 31.07 91.06 83.02 27.50 -22.43 -30.09 31.82 -26.84 -29.34 ULMN 3 1dhp_c02 DIHYDRODIPICOLINATE SYNTHASE user 2 3 # 2 A 44 THR A 125 THR^? 1000.00 A 45 THR A 60 THR^? 1000.00 A 161 LYS A 69 LYS^? 1000.00 coo 26.16 88.25 79.16 25.22 89.47 80.71 19.61 -8.98 -31.91 17.52 -8.56 -31.86 coo 27.73 89.90 76.08 29.24 91.46 75.95 18.70 -12.02 -28.46 16.99 -10.77 -28.01 coo 33.83 91.15 88.62 31.07 91.06 83.02 32.90 -11.51 -34.53 36.58 -11.70 -35.14 ULMN 3 1dhp_c02 DIHYDRODIPICOLINATE SYNTHASE user 3 3 # 3 A 44 THR B 60 THR^? 1000.00 A 45 THR B 125 THR^? 1000.00 A 161 LYS B 8 LYS^? 1000.00 coo 26.16 88.25 79.16 25.22 89.47 80.71 1.05 -22.19 -81.08 0.82 -20.10 -81.52 coo 27.73 89.90 76.08 29.24 91.46 75.95 -2.03 -21.47 -77.63 -1.34 -19.45 -77.68 coo 33.83 91.15 88.62 31.07 91.06 83.02 5.64 -35.04 -79.46 7.30 -40.97 -80.23 ULMN 3 1dhp_c02 DIHYDRODIPICOLINATE SYNTHASE user 4 3 # 4 A 44 THR B 125 THR^? 1000.00 A 45 THR B 60 THR^? 1000.00 A 161 LYS B 69 LYS^? 1000.00 coo 26.16 88.25 79.16 25.22 89.47 80.71 -2.03 -21.47 -77.63 -1.34 -19.45 -77.68 coo 27.73 89.90 76.08 29.24 91.46 75.95 1.05 -22.19 -81.08 0.82 -20.10 -81.52 coo 33.83 91.15 88.62 31.07 91.06 83.02 -6.51 -34.23 -75.02 -8.20 -37.51 -74.40 1dhp_c02 source 1dhp DIHYDRODIPICOLINATE SYNTHASE : 4 hits 1dhp_c02 naa= 3 ULMN 3 1dhp_c03 DIHYDRODIPICOLINATE SYNTHASE user 1 3 # 1 B 44 THR A 60 THR^? 1000.00 B 45 THR A 125 THR^? 1000.00 B 161 LYS A 8 LYS^? 1000.00 coo 7.39 128.28 94.56 8.34 126.36 94.79 18.70 -12.02 -28.46 16.99 -10.77 -28.01 coo 5.75 129.25 91.25 4.29 128.16 90.07 19.61 -8.98 -31.91 17.52 -8.56 -31.86 coo -0.17 119.75 99.65 2.51 123.83 95.70 27.50 -22.43 -30.09 31.82 -26.84 -29.34 ULMN 3 1dhp_c03 DIHYDRODIPICOLINATE SYNTHASE user 2 3 # 2 B 44 THR A 125 THR^? 1000.00 B 45 THR A 60 THR^? 1000.00 B 161 LYS A 69 LYS^? 1000.00 coo 7.39 128.28 94.56 8.34 126.36 94.79 19.61 -8.98 -31.91 17.52 -8.56 -31.86 coo 5.75 129.25 91.25 4.29 128.16 90.07 18.70 -12.02 -28.46 16.99 -10.77 -28.01 coo -0.17 119.75 99.65 2.51 123.83 95.70 32.90 -11.51 -34.53 36.58 -11.70 -35.14 ULMN 3 1dhp_c03 DIHYDRODIPICOLINATE SYNTHASE user 3 3 # 3 B 44 THR B 60 THR^? 1000.00 B 45 THR B 125 THR^? 1000.00 B 161 LYS B 8 LYS^? 1000.00 coo 7.39 128.28 94.56 8.34 126.36 94.79 1.05 -22.19 -81.08 0.82 -20.10 -81.52 coo 5.75 129.25 91.25 4.29 128.16 90.07 -2.03 -21.47 -77.63 -1.34 -19.45 -77.68 coo -0.17 119.75 99.65 2.51 123.83 95.70 5.64 -35.04 -79.46 7.30 -40.97 -80.23 ULMN 3 1dhp_c03 DIHYDRODIPICOLINATE SYNTHASE user 4 3 # 4 B 44 THR B 125 THR^? 1000.00 B 45 THR B 60 THR^? 1000.00 B 161 LYS B 69 LYS^? 1000.00 coo 7.39 128.28 94.56 8.34 126.36 94.79 -2.03 -21.47 -77.63 -1.34 -19.45 -77.68 coo 5.75 129.25 91.25 4.29 128.16 90.07 1.05 -22.19 -81.08 0.82 -20.10 -81.52 coo -0.17 119.75 99.65 2.51 123.83 95.70 -6.51 -34.23 -75.02 -8.20 -37.51 -74.40 1dhp_c03 source 1dhp DIHYDRODIPICOLINATE SYNTHASE : 4 hits 1dhp_c03 naa= 3 ULMN 3 1din_c00 DIENELACTONE HYDROLASE user 1 3 # 1 123 CYH A 88 CYH^? 1000.00 171 ASP A 18 ASP~? 1000.00 202 HIS A 21 HIS~? 1000.00 coo 13.53 50.63 6.92 14.43 49.91 4.38 18.68 -26.29 -20.51 21.30 -26.44 -21.57 coo 11.86 58.52 0.90 11.25 56.63 1.71 26.87 -23.27 -16.72 26.31 -23.96 -18.62 coo 12.37 53.26 1.34 11.86 52.62 3.19 26.02 -25.01 -22.11 24.46 -26.35 -22.53 ULMN 3 1din_c00 DIENELACTONE HYDROLASE user 2 3 # 2 123 CYH B 88 CYH^? 1000.00 171 ASP B 18 ASP^? 1000.00 202 HIS B 21 HIS^? 1000.00 coo 13.53 50.63 6.92 14.43 49.91 4.38 13.42 -29.32 -89.04 12.25 -31.64 -87.96 coo 11.86 58.52 0.90 11.25 56.63 1.71 6.68 -34.89 -92.82 7.57 -34.75 -90.92 coo 12.37 53.26 1.34 11.86 52.62 3.19 8.62 -35.03 -87.45 10.56 -34.35 -87.03 1din_c00 source 1din DIENELACTONE HYDROLASE : 2 hits 1din_c00 naa= 3 ULMN 3 1do8_c00 MALIC ENZYME user 1 3 # 1 A 112 TYR A 6 TYR^? 1000.00 A 183 LYS A 8 LYS^? 1000.00 A 278 ASP A 13 ASP.? 1000.00 coo 19.43 18.53 42.32 17.66 18.80 40.15 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo 21.92 15.80 36.19 17.64 19.44 36.35 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 15.46 19.03 31.40 15.01 18.25 33.31 35.39 -17.87 -27.45 36.78 -19.31 -28.08 ULMN 3 1do8_c00 MALIC ENZYME user 2 3 # 2 A 112 TYR A 6 TYR^? 1000.00 A 183 LYS A 22 LYS~? 1000.00 A 278 ASP A 13 ASP.? 1000.00 coo 19.43 18.53 42.32 17.66 18.80 40.15 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo 21.92 15.80 36.19 17.64 19.44 36.35 31.99 -23.27 -21.33 35.03 -27.43 -17.58 coo 15.46 19.03 31.40 15.01 18.25 33.31 35.39 -17.87 -27.45 36.78 -19.31 -28.08 ULMN 3 1do8_c00 MALIC ENZYME user 3 3 # 3 A 112 TYR A 6 TYR^? 1000.00 A 183 LYS A 22 LYS~? 1000.00 A 278 ASP A 19 ASP~? 1000.00 coo 19.43 18.53 42.32 17.66 18.80 40.15 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo 21.92 15.80 36.19 17.64 19.44 36.35 31.99 -23.27 -21.33 35.03 -27.43 -17.58 coo 15.46 19.03 31.40 15.01 18.25 33.31 29.74 -27.57 -15.65 30.35 -27.04 -13.70 ULMN 3 1do8_c00 MALIC ENZYME user 4 3 # 4 A 112 TYR A 6 TYR^? 1000.00 A 183 LYS A 23 LYS.? 1000.00 A 278 ASP A 64 ASP^? 1000.00 coo 19.43 18.53 42.32 17.66 18.80 40.15 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo 21.92 15.80 36.19 17.64 19.44 36.35 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 15.46 19.03 31.40 15.01 18.25 33.31 29.43 -11.47 -24.77 28.22 -12.20 -26.29 ULMN 3 1do8_c00 MALIC ENZYME user 5 3 # 5 A 112 TYR A 110 TYR^? 1000.00 A 183 LYS A 69 LYS^? 1000.00 A 278 ASP A 64 ASP^? 1000.00 coo 19.43 18.53 42.32 17.66 18.80 40.15 25.37 -7.28 -35.31 26.28 -6.16 -32.97 coo 21.92 15.80 36.19 17.64 19.44 36.35 32.90 -11.51 -34.53 36.58 -11.70 -35.14 coo 15.46 19.03 31.40 15.01 18.25 33.31 29.43 -11.47 -24.77 28.22 -12.20 -26.29 ULMN 3 1do8_c00 MALIC ENZYME user 6 3 # 6 A 112 TYR B 6 TYR^? 1000.00 A 183 LYS B 8 LYS^? 1000.00 A 278 ASP B 13 ASP^? 1000.00 coo 19.43 18.53 42.32 17.66 18.80 40.15 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo 21.92 15.80 36.19 17.64 19.44 36.35 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 15.46 19.03 31.40 15.01 18.25 33.31 -2.24 -39.57 -82.10 -1.69 -41.51 -81.47 ULMN 3 1do8_c00 MALIC ENZYME user 7 3 # 7 A 112 TYR B 6 TYR^? 1000.00 A 183 LYS B 22 LYS^? 1000.00 A 278 ASP B 13 ASP^? 1000.00 coo 19.43 18.53 42.32 17.66 18.80 40.15 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo 21.92 15.80 36.19 17.64 19.44 36.35 4.13 -39.33 -88.23 6.19 -44.05 -91.97 coo 15.46 19.03 31.40 15.01 18.25 33.31 -2.24 -39.57 -82.10 -1.69 -41.51 -81.47 ULMN 3 1do8_c00 MALIC ENZYME user 8 3 # 8 A 112 TYR B 6 TYR^? 1000.00 A 183 LYS B 22 LYS^? 1000.00 A 278 ASP B 19 ASP^? 1000.00 coo 19.43 18.53 42.32 17.66 18.80 40.15 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo 21.92 15.80 36.19 17.64 19.44 36.35 4.13 -39.33 -88.23 6.19 -44.05 -91.97 coo 15.46 19.03 31.40 15.01 18.25 33.31 8.97 -39.53 -93.90 8.21 -39.80 -95.86 ULMN 3 1do8_c00 MALIC ENZYME user 9 3 # 9 A 112 TYR B 6 TYR^? 1000.00 A 183 LYS B 23 LYS^? 1000.00 A 278 ASP B 64 ASP^? 1000.00 coo 19.43 18.53 42.32 17.66 18.80 40.15 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo 21.92 15.80 36.19 17.64 19.44 36.35 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 15.46 19.03 31.40 15.01 18.25 33.31 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 ULMN 3 1do8_c00 MALIC ENZYME user 10 3 # 10 A 112 TYR B 110 TYR^? 1000.00 A 183 LYS B 69 LYS^? 1000.00 A 278 ASP B 64 ASP^? 1000.00 coo 19.43 18.53 42.32 17.66 18.80 40.15 -6.38 -25.61 -74.23 -7.82 -25.83 -76.58 coo 21.92 15.80 36.19 17.64 19.44 36.35 -6.51 -34.23 -75.02 -8.20 -37.51 -74.40 coo 15.46 19.03 31.40 15.01 18.25 33.31 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 1do8_c00 source 1do8 MALIC ENZYME : 10 hits 1do8_c00 naa= 3 ULMN 3 1do8_c01 MALIC ENZYME user 1 3 # 1 B 112 TYR A 6 TYR^? 1000.00 B 183 LYS A 8 LYS^? 1000.00 B 278 ASP A 13 ASP.? 1000.00 coo 58.62 15.99 58.34 60.98 14.60 58.93 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo 60.11 10.60 53.63 62.59 10.74 58.67 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 66.50 7.32 58.45 66.26 9.42 58.23 35.39 -17.87 -27.45 36.78 -19.31 -28.08 ULMN 3 1do8_c01 MALIC ENZYME user 2 3 # 2 B 112 TYR A 6 TYR^? 1000.00 B 183 LYS A 22 LYS~? 1000.00 B 278 ASP A 13 ASP.? 1000.00 coo 58.62 15.99 58.34 60.98 14.60 58.93 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo 60.11 10.60 53.63 62.59 10.74 58.67 31.99 -23.27 -21.33 35.03 -27.43 -17.58 coo 66.50 7.32 58.45 66.26 9.42 58.23 35.39 -17.87 -27.45 36.78 -19.31 -28.08 ULMN 3 1do8_c01 MALIC ENZYME user 3 3 # 3 B 112 TYR A 6 TYR^? 1000.00 B 183 LYS A 22 LYS~? 1000.00 B 278 ASP A 19 ASP~? 1000.00 coo 58.62 15.99 58.34 60.98 14.60 58.93 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo 60.11 10.60 53.63 62.59 10.74 58.67 31.99 -23.27 -21.33 35.03 -27.43 -17.58 coo 66.50 7.32 58.45 66.26 9.42 58.23 29.74 -27.57 -15.65 30.35 -27.04 -13.70 ULMN 3 1do8_c01 MALIC ENZYME user 4 3 # 4 B 112 TYR A 6 TYR^? 1000.00 B 183 LYS A 23 LYS.? 1000.00 B 278 ASP A 64 ASP^? 1000.00 coo 58.62 15.99 58.34 60.98 14.60 58.93 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo 60.11 10.60 53.63 62.59 10.74 58.67 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 66.50 7.32 58.45 66.26 9.42 58.23 29.43 -11.47 -24.77 28.22 -12.20 -26.29 ULMN 3 1do8_c01 MALIC ENZYME user 5 3 # 5 B 112 TYR A 110 TYR^? 1000.00 B 183 LYS A 69 LYS^? 1000.00 B 278 ASP A 64 ASP^? 1000.00 coo 58.62 15.99 58.34 60.98 14.60 58.93 25.37 -7.28 -35.31 26.28 -6.16 -32.97 coo 60.11 10.60 53.63 62.59 10.74 58.67 32.90 -11.51 -34.53 36.58 -11.70 -35.14 coo 66.50 7.32 58.45 66.26 9.42 58.23 29.43 -11.47 -24.77 28.22 -12.20 -26.29 ULMN 3 1do8_c01 MALIC ENZYME user 6 3 # 6 B 112 TYR B 6 TYR^? 1000.00 B 183 LYS B 8 LYS^? 1000.00 B 278 ASP B 13 ASP^? 1000.00 coo 58.62 15.99 58.34 60.98 14.60 58.93 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo 60.11 10.60 53.63 62.59 10.74 58.67 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 66.50 7.32 58.45 66.26 9.42 58.23 -2.24 -39.57 -82.10 -1.69 -41.51 -81.47 ULMN 3 1do8_c01 MALIC ENZYME user 7 3 # 7 B 112 TYR B 6 TYR^? 1000.00 B 183 LYS B 22 LYS^? 1000.00 B 278 ASP B 13 ASP^? 1000.00 coo 58.62 15.99 58.34 60.98 14.60 58.93 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo 60.11 10.60 53.63 62.59 10.74 58.67 4.13 -39.33 -88.23 6.19 -44.05 -91.97 coo 66.50 7.32 58.45 66.26 9.42 58.23 -2.24 -39.57 -82.10 -1.69 -41.51 -81.47 ULMN 3 1do8_c01 MALIC ENZYME user 8 3 # 8 B 112 TYR B 6 TYR^? 1000.00 B 183 LYS B 22 LYS^? 1000.00 B 278 ASP B 19 ASP^? 1000.00 coo 58.62 15.99 58.34 60.98 14.60 58.93 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo 60.11 10.60 53.63 62.59 10.74 58.67 4.13 -39.33 -88.23 6.19 -44.05 -91.97 coo 66.50 7.32 58.45 66.26 9.42 58.23 8.97 -39.53 -93.90 8.21 -39.80 -95.86 ULMN 3 1do8_c01 MALIC ENZYME user 9 3 # 9 B 112 TYR B 6 TYR^? 1000.00 B 183 LYS B 23 LYS^? 1000.00 B 278 ASP B 64 ASP^? 1000.00 coo 58.62 15.99 58.34 60.98 14.60 58.93 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo 60.11 10.60 53.63 62.59 10.74 58.67 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 66.50 7.32 58.45 66.26 9.42 58.23 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 ULMN 3 1do8_c01 MALIC ENZYME user 10 3 # 10 B 112 TYR B 110 TYR^? 1000.00 B 183 LYS B 69 LYS^? 1000.00 B 278 ASP B 64 ASP^? 1000.00 coo 58.62 15.99 58.34 60.98 14.60 58.93 -6.38 -25.61 -74.23 -7.82 -25.83 -76.58 coo 60.11 10.60 53.63 62.59 10.74 58.67 -6.51 -34.23 -75.02 -8.20 -37.51 -74.40 coo 66.50 7.32 58.45 66.26 9.42 58.23 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 1do8_c01 source 1do8 MALIC ENZYME : 10 hits 1do8_c01 naa= 3 ULMN 3 1do8_c02 MALIC ENZYME user 1 3 # 1 C 112 TYR A 6 TYR^? 1000.00 C 183 LYS A 8 LYS^? 1000.00 C 278 ASP A 13 ASP.? 1000.00 coo 76.02 -16.57 8.89 78.24 -15.17 9.87 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo 74.18 -11.17 13.22 79.08 -11.19 10.47 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 82.27 -7.93 13.54 81.93 -10.04 13.72 35.39 -17.87 -27.45 36.78 -19.31 -28.08 ULMN 3 1do8_c02 MALIC ENZYME user 2 3 # 2 C 112 TYR A 6 TYR^? 1000.00 C 183 LYS A 22 LYS~? 1000.00 C 278 ASP A 13 ASP.? 1000.00 coo 76.02 -16.57 8.89 78.24 -15.17 9.87 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo 74.18 -11.17 13.22 79.08 -11.19 10.47 31.99 -23.27 -21.33 35.03 -27.43 -17.58 coo 82.27 -7.93 13.54 81.93 -10.04 13.72 35.39 -17.87 -27.45 36.78 -19.31 -28.08 ULMN 3 1do8_c02 MALIC ENZYME user 3 3 # 3 C 112 TYR A 6 TYR^? 1000.00 C 183 LYS A 22 LYS~? 1000.00 C 278 ASP A 19 ASP~? 1000.00 coo 76.02 -16.57 8.89 78.24 -15.17 9.87 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo 74.18 -11.17 13.22 79.08 -11.19 10.47 31.99 -23.27 -21.33 35.03 -27.43 -17.58 coo 82.27 -7.93 13.54 81.93 -10.04 13.72 29.74 -27.57 -15.65 30.35 -27.04 -13.70 ULMN 3 1do8_c02 MALIC ENZYME user 4 3 # 4 C 112 TYR A 6 TYR^? 1000.00 C 183 LYS A 23 LYS.? 1000.00 C 278 ASP A 64 ASP^? 1000.00 coo 76.02 -16.57 8.89 78.24 -15.17 9.87 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo 74.18 -11.17 13.22 79.08 -11.19 10.47 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 82.27 -7.93 13.54 81.93 -10.04 13.72 29.43 -11.47 -24.77 28.22 -12.20 -26.29 ULMN 3 1do8_c02 MALIC ENZYME user 5 3 # 5 C 112 TYR A 110 TYR^? 1000.00 C 183 LYS A 69 LYS^? 1000.00 C 278 ASP A 64 ASP^? 1000.00 coo 76.02 -16.57 8.89 78.24 -15.17 9.87 25.37 -7.28 -35.31 26.28 -6.16 -32.97 coo 74.18 -11.17 13.22 79.08 -11.19 10.47 32.90 -11.51 -34.53 36.58 -11.70 -35.14 coo 82.27 -7.93 13.54 81.93 -10.04 13.72 29.43 -11.47 -24.77 28.22 -12.20 -26.29 ULMN 3 1do8_c02 MALIC ENZYME user 6 3 # 6 C 112 TYR B 6 TYR^? 1000.00 C 183 LYS B 8 LYS^? 1000.00 C 278 ASP B 13 ASP^? 1000.00 coo 76.02 -16.57 8.89 78.24 -15.17 9.87 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo 74.18 -11.17 13.22 79.08 -11.19 10.47 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 82.27 -7.93 13.54 81.93 -10.04 13.72 -2.24 -39.57 -82.10 -1.69 -41.51 -81.47 ULMN 3 1do8_c02 MALIC ENZYME user 7 3 # 7 C 112 TYR B 6 TYR^? 1000.00 C 183 LYS B 22 LYS^? 1000.00 C 278 ASP B 13 ASP^? 1000.00 coo 76.02 -16.57 8.89 78.24 -15.17 9.87 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo 74.18 -11.17 13.22 79.08 -11.19 10.47 4.13 -39.33 -88.23 6.19 -44.05 -91.97 coo 82.27 -7.93 13.54 81.93 -10.04 13.72 -2.24 -39.57 -82.10 -1.69 -41.51 -81.47 ULMN 3 1do8_c02 MALIC ENZYME user 8 3 # 8 C 112 TYR B 6 TYR^? 1000.00 C 183 LYS B 22 LYS^? 1000.00 C 278 ASP B 19 ASP^? 1000.00 coo 76.02 -16.57 8.89 78.24 -15.17 9.87 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo 74.18 -11.17 13.22 79.08 -11.19 10.47 4.13 -39.33 -88.23 6.19 -44.05 -91.97 coo 82.27 -7.93 13.54 81.93 -10.04 13.72 8.97 -39.53 -93.90 8.21 -39.80 -95.86 ULMN 3 1do8_c02 MALIC ENZYME user 9 3 # 9 C 112 TYR B 6 TYR^? 1000.00 C 183 LYS B 23 LYS^? 1000.00 C 278 ASP B 64 ASP^? 1000.00 coo 76.02 -16.57 8.89 78.24 -15.17 9.87 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo 74.18 -11.17 13.22 79.08 -11.19 10.47 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 82.27 -7.93 13.54 81.93 -10.04 13.72 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 ULMN 3 1do8_c02 MALIC ENZYME user 10 3 # 10 C 112 TYR B 110 TYR^? 1000.00 C 183 LYS B 69 LYS^? 1000.00 C 278 ASP B 64 ASP^? 1000.00 coo 76.02 -16.57 8.89 78.24 -15.17 9.87 -6.38 -25.61 -74.23 -7.82 -25.83 -76.58 coo 74.18 -11.17 13.22 79.08 -11.19 10.47 -6.51 -34.23 -75.02 -8.20 -37.51 -74.40 coo 82.27 -7.93 13.54 81.93 -10.04 13.72 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 1do8_c02 source 1do8 MALIC ENZYME : 10 hits 1do8_c02 naa= 3 ULMN 3 1do8_c03 MALIC ENZYME user 1 3 # 1 D 112 TYR A 6 TYR^? 1000.00 D 183 LYS A 8 LYS^? 1000.00 D 278 ASP A 13 ASP.? 1000.00 coo 35.64 -19.32 -3.24 32.92 -19.55 -2.64 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo 33.51 -16.63 3.10 30.11 -20.23 0.26 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 25.62 -19.94 2.86 26.44 -19.16 1.09 35.39 -17.87 -27.45 36.78 -19.31 -28.08 ULMN 3 1do8_c03 MALIC ENZYME user 2 3 # 2 D 112 TYR A 6 TYR^? 1000.00 D 183 LYS A 22 LYS~? 1000.00 D 278 ASP A 13 ASP.? 1000.00 coo 35.64 -19.32 -3.24 32.92 -19.55 -2.64 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo 33.51 -16.63 3.10 30.11 -20.23 0.26 31.99 -23.27 -21.33 35.03 -27.43 -17.58 coo 25.62 -19.94 2.86 26.44 -19.16 1.09 35.39 -17.87 -27.45 36.78 -19.31 -28.08 ULMN 3 1do8_c03 MALIC ENZYME user 3 3 # 3 D 112 TYR A 6 TYR^? 1000.00 D 183 LYS A 22 LYS~? 1000.00 D 278 ASP A 19 ASP~? 1000.00 coo 35.64 -19.32 -3.24 32.92 -19.55 -2.64 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo 33.51 -16.63 3.10 30.11 -20.23 0.26 31.99 -23.27 -21.33 35.03 -27.43 -17.58 coo 25.62 -19.94 2.86 26.44 -19.16 1.09 29.74 -27.57 -15.65 30.35 -27.04 -13.70 ULMN 3 1do8_c03 MALIC ENZYME user 4 3 # 4 D 112 TYR A 6 TYR^? 1000.00 D 183 LYS A 23 LYS.? 1000.00 D 278 ASP A 64 ASP^? 1000.00 coo 35.64 -19.32 -3.24 32.92 -19.55 -2.64 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo 33.51 -16.63 3.10 30.11 -20.23 0.26 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 25.62 -19.94 2.86 26.44 -19.16 1.09 29.43 -11.47 -24.77 28.22 -12.20 -26.29 ULMN 3 1do8_c03 MALIC ENZYME user 5 3 # 5 D 112 TYR A 110 TYR^? 1000.00 D 183 LYS A 69 LYS^? 1000.00 D 278 ASP A 64 ASP^? 1000.00 coo 35.64 -19.32 -3.24 32.92 -19.55 -2.64 25.37 -7.28 -35.31 26.28 -6.16 -32.97 coo 33.51 -16.63 3.10 30.11 -20.23 0.26 32.90 -11.51 -34.53 36.58 -11.70 -35.14 coo 25.62 -19.94 2.86 26.44 -19.16 1.09 29.43 -11.47 -24.77 28.22 -12.20 -26.29 ULMN 3 1do8_c03 MALIC ENZYME user 6 3 # 6 D 112 TYR B 6 TYR^? 1000.00 D 183 LYS B 8 LYS^? 1000.00 D 278 ASP B 13 ASP^? 1000.00 coo 35.64 -19.32 -3.24 32.92 -19.55 -2.64 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo 33.51 -16.63 3.10 30.11 -20.23 0.26 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 25.62 -19.94 2.86 26.44 -19.16 1.09 -2.24 -39.57 -82.10 -1.69 -41.51 -81.47 ULMN 3 1do8_c03 MALIC ENZYME user 7 3 # 7 D 112 TYR B 6 TYR^? 1000.00 D 183 LYS B 22 LYS^? 1000.00 D 278 ASP B 13 ASP^? 1000.00 coo 35.64 -19.32 -3.24 32.92 -19.55 -2.64 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo 33.51 -16.63 3.10 30.11 -20.23 0.26 4.13 -39.33 -88.23 6.19 -44.05 -91.97 coo 25.62 -19.94 2.86 26.44 -19.16 1.09 -2.24 -39.57 -82.10 -1.69 -41.51 -81.47 ULMN 3 1do8_c03 MALIC ENZYME user 8 3 # 8 D 112 TYR B 6 TYR^? 1000.00 D 183 LYS B 22 LYS^? 1000.00 D 278 ASP B 19 ASP^? 1000.00 coo 35.64 -19.32 -3.24 32.92 -19.55 -2.64 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo 33.51 -16.63 3.10 30.11 -20.23 0.26 4.13 -39.33 -88.23 6.19 -44.05 -91.97 coo 25.62 -19.94 2.86 26.44 -19.16 1.09 8.97 -39.53 -93.90 8.21 -39.80 -95.86 ULMN 3 1do8_c03 MALIC ENZYME user 9 3 # 9 D 112 TYR B 6 TYR^? 1000.00 D 183 LYS B 23 LYS^? 1000.00 D 278 ASP B 64 ASP^? 1000.00 coo 35.64 -19.32 -3.24 32.92 -19.55 -2.64 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo 33.51 -16.63 3.10 30.11 -20.23 0.26 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 25.62 -19.94 2.86 26.44 -19.16 1.09 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 ULMN 3 1do8_c03 MALIC ENZYME user 10 3 # 10 D 112 TYR B 110 TYR^? 1000.00 D 183 LYS B 69 LYS^? 1000.00 D 278 ASP B 64 ASP^? 1000.00 coo 35.64 -19.32 -3.24 32.92 -19.55 -2.64 -6.38 -25.61 -74.23 -7.82 -25.83 -76.58 coo 33.51 -16.63 3.10 30.11 -20.23 0.26 -6.51 -34.23 -75.02 -8.20 -37.51 -74.40 coo 25.62 -19.94 2.86 26.44 -19.16 1.09 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 1do8_c03 source 1do8 MALIC ENZYME : 10 hits 1do8_c03 naa= 3 ULMN 3 1ds2_c02 PROTEINASE B (SGPB user 1 3 # 1 E 57 HIS A 21 HIS~? 1000.00 E 102 ASP A 18 ASP~? 1000.00 E 193 GLY A 14 GLY.? 1000.00 coo 11.39 26.86 25.95 9.85 26.64 27.36 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo 10.90 32.83 25.96 10.83 30.68 25.98 26.87 -23.27 -16.72 26.31 -23.96 -18.62 coo 4.57 20.60 30.29 4.74 21.36 30.66 31.16 -16.49 -26.28 31.87 -16.86 -25.96 ULMN 3 1ds2_c02 PROTEINASE B (SGPB user 2 3 # 2 E 57 HIS A 21 HIS~? 1000.00 E 102 ASP A 19 ASP~? 1000.00 E 193 GLY A 14 GLY.? 1000.00 coo 11.39 26.86 25.95 9.85 26.64 27.36 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo 10.90 32.83 25.96 10.83 30.68 25.98 29.74 -27.57 -15.65 30.35 -27.04 -13.70 coo 4.57 20.60 30.29 4.74 21.36 30.66 31.16 -16.49 -26.28 31.87 -16.86 -25.96 ULMN 3 1ds2_c02 PROTEINASE B (SGPB user 3 3 # 3 E 57 HIS B 21 HIS^? 1000.00 E 102 ASP B 18 ASP^? 1000.00 E 193 GLY B 14 GLY^? 1000.00 coo 11.39 26.86 25.95 9.85 26.64 27.36 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo 10.90 32.83 25.96 10.83 30.68 25.98 6.68 -34.89 -92.82 7.57 -34.75 -90.92 coo 4.57 20.60 30.29 4.74 21.36 30.66 -1.32 -35.21 -83.27 -1.35 -36.02 -83.59 ULMN 3 1ds2_c02 PROTEINASE B (SGPB user 4 3 # 4 E 57 HIS B 21 HIS^? 1000.00 E 102 ASP B 19 ASP^? 1000.00 E 193 GLY B 14 GLY^? 1000.00 coo 11.39 26.86 25.95 9.85 26.64 27.36 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo 10.90 32.83 25.96 10.83 30.68 25.98 8.97 -39.53 -93.90 8.21 -39.80 -95.86 coo 4.57 20.60 30.29 4.74 21.36 30.66 -1.32 -35.21 -83.27 -1.35 -36.02 -83.59 1ds2_c02 source 1ds2 PROTEINASE B (SGPB : 4 hits 1ds2_c02 naa= 3 ULMN 3 1dub_c13 2-ENOYL-COA HYDRATASE user 1 3 # 1 B 141 GLY A 14 GLY.? 1000.00 B 144 GLU A 15 GLU.? 1000.00 B 164 GLU A 26 GLU^? 1000.00 coo 88.87 114.43 152.30 88.45 115.15 152.32 31.16 -16.49 -26.28 31.87 -16.86 -25.96 coo 85.20 111.99 152.05 86.60 110.89 150.91 31.83 -13.52 -21.46 31.81 -11.49 -22.03 coo 88.14 113.46 145.73 86.79 113.92 147.30 25.58 -17.25 -21.04 25.74 -16.50 -19.06 ULMN 3 1dub_c13 2-ENOYL-COA HYDRATASE user 2 3 # 2 B 141 GLY A 151 GLY^? 1000.00 B 144 GLU A 153 GLU^? 1000.00 B 164 GLU A 136 GLU^? 1000.00 coo 88.87 114.43 152.30 88.45 115.15 152.32 13.65 -38.82 -32.15 13.56 -38.10 -31.82 coo 85.20 111.99 152.05 86.60 110.89 150.91 12.49 -36.75 -36.83 10.58 -37.13 -36.03 coo 88.14 113.46 145.73 86.79 113.92 147.30 17.75 -33.88 -31.63 19.76 -34.22 -31.08 ULMN 3 1dub_c13 2-ENOYL-COA HYDRATASE user 3 3 # 3 B 141 GLY A 154 GLY^? 1000.00 B 144 GLU A 153 GLU^? 1000.00 B 164 GLU A 136 GLU^? 1000.00 coo 88.87 114.43 152.30 88.45 115.15 152.32 14.81 -32.06 -39.11 14.46 -32.66 -39.56 coo 85.20 111.99 152.05 86.60 110.89 150.91 12.49 -36.75 -36.83 10.58 -37.13 -36.03 coo 88.14 113.46 145.73 86.79 113.92 147.30 17.75 -33.88 -31.63 19.76 -34.22 -31.08 ULMN 3 1dub_c13 2-ENOYL-COA HYDRATASE user 4 3 # 4 B 141 GLY B 14 GLY^? 1000.00 B 144 GLU B 15 GLU^? 1000.00 B 164 GLU B 26 GLU^? 1000.00 coo 88.87 114.43 152.30 88.45 115.15 152.32 -1.32 -35.21 -83.27 -1.35 -36.02 -83.59 coo 85.20 111.99 152.05 86.60 110.89 150.91 -4.24 -34.31 -88.08 -5.97 -33.27 -87.50 coo 88.14 113.46 145.73 86.79 113.92 147.30 2.14 -30.76 -88.51 1.40 -30.52 -90.48 ULMN 3 1dub_c13 2-ENOYL-COA HYDRATASE user 5 3 # 5 B 141 GLY B 151 GLY^? 1000.00 B 144 GLU B 153 GLU^? 1000.00 B 164 GLU B 136 GLU^? 1000.00 coo 88.87 114.43 152.30 88.45 115.15 152.32 26.78 -31.24 -77.41 26.20 -30.80 -77.74 coo 85.20 111.99 152.05 86.60 110.89 150.91 25.57 -29.21 -72.73 26.88 -27.75 -73.52 coo 88.14 113.46 145.73 86.79 113.92 147.30 20.45 -32.33 -77.94 19.74 -34.24 -78.49 ULMN 3 1dub_c13 2-ENOYL-COA HYDRATASE user 6 3 # 6 B 141 GLY B 154 GLY^? 1000.00 B 144 GLU B 153 GLU^? 1000.00 B 164 GLU B 136 GLU^? 1000.00 coo 88.87 114.43 152.30 88.45 115.15 152.32 20.35 -28.87 -70.45 21.04 -28.86 -70.00 coo 85.20 111.99 152.05 86.60 110.89 150.91 25.57 -29.21 -72.73 26.88 -27.75 -73.52 coo 88.14 113.46 145.73 86.79 113.92 147.30 20.45 -32.33 -77.94 19.74 -34.24 -78.49 1dub_c13 source 1dub 2-ENOYL-COA HYDRATASE : 6 hits 1dub_c13 naa= 3 ULMN 3 1dub_c14 2-ENOYL-COA HYDRATASE user 1 3 # 1 C 141 GLY A 14 GLY.? 1000.00 C 144 GLU A 15 GLU.? 1000.00 C 164 GLU A 26 GLU^? 1000.00 coo 56.28 104.55 135.84 56.09 105.34 136.05 31.16 -16.49 -26.28 31.87 -16.86 -25.96 coo 58.46 103.90 139.48 57.57 102.00 139.16 31.83 -13.52 -21.46 31.81 -11.49 -22.03 coo 51.71 102.03 140.09 53.02 103.62 140.54 25.58 -17.25 -21.04 25.74 -16.50 -19.06 ULMN 3 1dub_c14 2-ENOYL-COA HYDRATASE user 2 3 # 2 C 141 GLY A 151 GLY^? 1000.00 C 144 GLU A 153 GLU^? 1000.00 C 164 GLU A 136 GLU^? 1000.00 coo 56.28 104.55 135.84 56.09 105.34 136.05 13.65 -38.82 -32.15 13.56 -38.10 -31.82 coo 58.46 103.90 139.48 57.57 102.00 139.16 12.49 -36.75 -36.83 10.58 -37.13 -36.03 coo 51.71 102.03 140.09 53.02 103.62 140.54 17.75 -33.88 -31.63 19.76 -34.22 -31.08 ULMN 3 1dub_c14 2-ENOYL-COA HYDRATASE user 3 3 # 3 C 141 GLY A 154 GLY^? 1000.00 C 144 GLU A 153 GLU^? 1000.00 C 164 GLU A 136 GLU^? 1000.00 coo 56.28 104.55 135.84 56.09 105.34 136.05 14.81 -32.06 -39.11 14.46 -32.66 -39.56 coo 58.46 103.90 139.48 57.57 102.00 139.16 12.49 -36.75 -36.83 10.58 -37.13 -36.03 coo 51.71 102.03 140.09 53.02 103.62 140.54 17.75 -33.88 -31.63 19.76 -34.22 -31.08 ULMN 3 1dub_c14 2-ENOYL-COA HYDRATASE user 4 3 # 4 C 141 GLY B 14 GLY^? 1000.00 C 144 GLU B 15 GLU^? 1000.00 C 164 GLU B 26 GLU^? 1000.00 coo 56.28 104.55 135.84 56.09 105.34 136.05 -1.32 -35.21 -83.27 -1.35 -36.02 -83.59 coo 58.46 103.90 139.48 57.57 102.00 139.16 -4.24 -34.31 -88.08 -5.97 -33.27 -87.50 coo 51.71 102.03 140.09 53.02 103.62 140.54 2.14 -30.76 -88.51 1.40 -30.52 -90.48 ULMN 3 1dub_c14 2-ENOYL-COA HYDRATASE user 5 3 # 5 C 141 GLY B 151 GLY^? 1000.00 C 144 GLU B 153 GLU^? 1000.00 C 164 GLU B 136 GLU^? 1000.00 coo 56.28 104.55 135.84 56.09 105.34 136.05 26.78 -31.24 -77.41 26.20 -30.80 -77.74 coo 58.46 103.90 139.48 57.57 102.00 139.16 25.57 -29.21 -72.73 26.88 -27.75 -73.52 coo 51.71 102.03 140.09 53.02 103.62 140.54 20.45 -32.33 -77.94 19.74 -34.24 -78.49 ULMN 3 1dub_c14 2-ENOYL-COA HYDRATASE user 6 3 # 6 C 141 GLY B 154 GLY^? 1000.00 C 144 GLU B 153 GLU^? 1000.00 C 164 GLU B 136 GLU^? 1000.00 coo 56.28 104.55 135.84 56.09 105.34 136.05 20.35 -28.87 -70.45 21.04 -28.86 -70.00 coo 58.46 103.90 139.48 57.57 102.00 139.16 25.57 -29.21 -72.73 26.88 -27.75 -73.52 coo 51.71 102.03 140.09 53.02 103.62 140.54 20.45 -32.33 -77.94 19.74 -34.24 -78.49 1dub_c14 source 1dub 2-ENOYL-COA HYDRATASE : 6 hits 1dub_c14 naa= 3 ULMN 3 1dub_c15 2-ENOYL-COA HYDRATASE user 1 3 # 1 D 141 GLY A 14 GLY.? 1000.00 D 144 GLU A 15 GLU.? 1000.00 D 164 GLU A 26 GLU^? 1000.00 coo 86.19 80.64 132.77 86.38 79.85 132.93 31.16 -16.49 -26.28 31.87 -16.86 -25.96 coo 84.75 81.24 136.88 85.62 83.14 136.43 31.83 -13.52 -21.46 31.81 -11.49 -22.03 coo 91.47 83.05 136.24 90.35 81.38 136.84 25.58 -17.25 -21.04 25.74 -16.50 -19.06 ULMN 3 1dub_c15 2-ENOYL-COA HYDRATASE user 2 3 # 2 D 141 GLY A 151 GLY^? 1000.00 D 144 GLU A 153 GLU^? 1000.00 D 164 GLU A 136 GLU^? 1000.00 coo 86.19 80.64 132.77 86.38 79.85 132.93 13.65 -38.82 -32.15 13.56 -38.10 -31.82 coo 84.75 81.24 136.88 85.62 83.14 136.43 12.49 -36.75 -36.83 10.58 -37.13 -36.03 coo 91.47 83.05 136.24 90.35 81.38 136.84 17.75 -33.88 -31.63 19.76 -34.22 -31.08 ULMN 3 1dub_c15 2-ENOYL-COA HYDRATASE user 3 3 # 3 D 141 GLY A 154 GLY^? 1000.00 D 144 GLU A 153 GLU^? 1000.00 D 164 GLU A 136 GLU^? 1000.00 coo 86.19 80.64 132.77 86.38 79.85 132.93 14.81 -32.06 -39.11 14.46 -32.66 -39.56 coo 84.75 81.24 136.88 85.62 83.14 136.43 12.49 -36.75 -36.83 10.58 -37.13 -36.03 coo 91.47 83.05 136.24 90.35 81.38 136.84 17.75 -33.88 -31.63 19.76 -34.22 -31.08 ULMN 3 1dub_c15 2-ENOYL-COA HYDRATASE user 4 3 # 4 D 141 GLY B 14 GLY^? 1000.00 D 144 GLU B 15 GLU^? 1000.00 D 164 GLU B 26 GLU^? 1000.00 coo 86.19 80.64 132.77 86.38 79.85 132.93 -1.32 -35.21 -83.27 -1.35 -36.02 -83.59 coo 84.75 81.24 136.88 85.62 83.14 136.43 -4.24 -34.31 -88.08 -5.97 -33.27 -87.50 coo 91.47 83.05 136.24 90.35 81.38 136.84 2.14 -30.76 -88.51 1.40 -30.52 -90.48 ULMN 3 1dub_c15 2-ENOYL-COA HYDRATASE user 5 3 # 5 D 141 GLY B 151 GLY^? 1000.00 D 144 GLU B 153 GLU^? 1000.00 D 164 GLU B 136 GLU^? 1000.00 coo 86.19 80.64 132.77 86.38 79.85 132.93 26.78 -31.24 -77.41 26.20 -30.80 -77.74 coo 84.75 81.24 136.88 85.62 83.14 136.43 25.57 -29.21 -72.73 26.88 -27.75 -73.52 coo 91.47 83.05 136.24 90.35 81.38 136.84 20.45 -32.33 -77.94 19.74 -34.24 -78.49 ULMN 3 1dub_c15 2-ENOYL-COA HYDRATASE user 6 3 # 6 D 141 GLY B 154 GLY^? 1000.00 D 144 GLU B 153 GLU^? 1000.00 D 164 GLU B 136 GLU^? 1000.00 coo 86.19 80.64 132.77 86.38 79.85 132.93 20.35 -28.87 -70.45 21.04 -28.86 -70.00 coo 84.75 81.24 136.88 85.62 83.14 136.43 25.57 -29.21 -72.73 26.88 -27.75 -73.52 coo 91.47 83.05 136.24 90.35 81.38 136.84 20.45 -32.33 -77.94 19.74 -34.24 -78.49 1dub_c15 source 1dub 2-ENOYL-COA HYDRATASE : 6 hits 1dub_c15 naa= 3 ULMN 3 1dub_c16 2-ENOYL-COA HYDRATASE user 1 3 # 1 E 141 GLY A 14 GLY.? 1000.00 E 144 GLU A 15 GLU.? 1000.00 E 164 GLU A 26 GLU^? 1000.00 coo 90.07 81.07 170.50 90.23 80.26 170.38 31.16 -16.49 -26.28 31.87 -16.86 -25.96 coo 87.05 81.30 167.53 86.38 82.74 168.94 31.83 -13.52 -21.46 31.81 -11.49 -22.03 coo 84.40 80.02 173.80 85.08 79.06 172.03 25.58 -17.25 -21.04 25.74 -16.50 -19.06 ULMN 3 1dub_c16 2-ENOYL-COA HYDRATASE user 2 3 # 2 E 141 GLY A 151 GLY^? 1000.00 E 144 GLU A 153 GLU^? 1000.00 E 164 GLU A 136 GLU^? 1000.00 coo 90.07 81.07 170.50 90.23 80.26 170.38 13.65 -38.82 -32.15 13.56 -38.10 -31.82 coo 87.05 81.30 167.53 86.38 82.74 168.94 12.49 -36.75 -36.83 10.58 -37.13 -36.03 coo 84.40 80.02 173.80 85.08 79.06 172.03 17.75 -33.88 -31.63 19.76 -34.22 -31.08 ULMN 3 1dub_c16 2-ENOYL-COA HYDRATASE user 3 3 # 3 E 141 GLY A 154 GLY^? 1000.00 E 144 GLU A 153 GLU^? 1000.00 E 164 GLU A 136 GLU^? 1000.00 coo 90.07 81.07 170.50 90.23 80.26 170.38 14.81 -32.06 -39.11 14.46 -32.66 -39.56 coo 87.05 81.30 167.53 86.38 82.74 168.94 12.49 -36.75 -36.83 10.58 -37.13 -36.03 coo 84.40 80.02 173.80 85.08 79.06 172.03 17.75 -33.88 -31.63 19.76 -34.22 -31.08 ULMN 3 1dub_c16 2-ENOYL-COA HYDRATASE user 4 3 # 4 E 141 GLY B 14 GLY^? 1000.00 E 144 GLU B 15 GLU^? 1000.00 E 164 GLU B 26 GLU^? 1000.00 coo 90.07 81.07 170.50 90.23 80.26 170.38 -1.32 -35.21 -83.27 -1.35 -36.02 -83.59 coo 87.05 81.30 167.53 86.38 82.74 168.94 -4.24 -34.31 -88.08 -5.97 -33.27 -87.50 coo 84.40 80.02 173.80 85.08 79.06 172.03 2.14 -30.76 -88.51 1.40 -30.52 -90.48 ULMN 3 1dub_c16 2-ENOYL-COA HYDRATASE user 5 3 # 5 E 141 GLY B 151 GLY^? 1000.00 E 144 GLU B 153 GLU^? 1000.00 E 164 GLU B 136 GLU^? 1000.00 coo 90.07 81.07 170.50 90.23 80.26 170.38 26.78 -31.24 -77.41 26.20 -30.80 -77.74 coo 87.05 81.30 167.53 86.38 82.74 168.94 25.57 -29.21 -72.73 26.88 -27.75 -73.52 coo 84.40 80.02 173.80 85.08 79.06 172.03 20.45 -32.33 -77.94 19.74 -34.24 -78.49 ULMN 3 1dub_c16 2-ENOYL-COA HYDRATASE user 6 3 # 6 E 141 GLY B 154 GLY^? 1000.00 E 144 GLU B 153 GLU^? 1000.00 E 164 GLU B 136 GLU^? 1000.00 coo 90.07 81.07 170.50 90.23 80.26 170.38 20.35 -28.87 -70.45 21.04 -28.86 -70.00 coo 87.05 81.30 167.53 86.38 82.74 168.94 25.57 -29.21 -72.73 26.88 -27.75 -73.52 coo 84.40 80.02 173.80 85.08 79.06 172.03 20.45 -32.33 -77.94 19.74 -34.24 -78.49 1dub_c16 source 1dub 2-ENOYL-COA HYDRATASE : 6 hits 1dub_c16 naa= 3 ULMN 3 1dub_c17 2-ENOYL-COA HYDRATASE user 1 3 # 1 F 141 GLY A 14 GLY.? 1000.00 F 144 GLU A 15 GLU.? 1000.00 F 164 GLU A 26 GLU^? 1000.00 coo 57.12 70.68 155.10 57.52 69.95 155.02 31.16 -16.49 -26.28 31.87 -16.86 -25.96 coo 60.62 73.13 154.21 59.05 74.26 153.35 31.83 -13.52 -21.46 31.81 -11.49 -22.03 coo 56.75 71.71 148.46 58.44 71.01 149.54 25.58 -17.25 -21.04 25.74 -16.50 -19.06 ULMN 3 1dub_c17 2-ENOYL-COA HYDRATASE user 2 3 # 2 F 141 GLY A 151 GLY^? 1000.00 F 144 GLU A 153 GLU^? 1000.00 F 164 GLU A 136 GLU^? 1000.00 coo 57.12 70.68 155.10 57.52 69.95 155.02 13.65 -38.82 -32.15 13.56 -38.10 -31.82 coo 60.62 73.13 154.21 59.05 74.26 153.35 12.49 -36.75 -36.83 10.58 -37.13 -36.03 coo 56.75 71.71 148.46 58.44 71.01 149.54 17.75 -33.88 -31.63 19.76 -34.22 -31.08 ULMN 3 1dub_c17 2-ENOYL-COA HYDRATASE user 3 3 # 3 F 141 GLY A 154 GLY^? 1000.00 F 144 GLU A 153 GLU^? 1000.00 F 164 GLU A 136 GLU^? 1000.00 coo 57.12 70.68 155.10 57.52 69.95 155.02 14.81 -32.06 -39.11 14.46 -32.66 -39.56 coo 60.62 73.13 154.21 59.05 74.26 153.35 12.49 -36.75 -36.83 10.58 -37.13 -36.03 coo 56.75 71.71 148.46 58.44 71.01 149.54 17.75 -33.88 -31.63 19.76 -34.22 -31.08 ULMN 3 1dub_c17 2-ENOYL-COA HYDRATASE user 4 3 # 4 F 141 GLY B 14 GLY^? 1000.00 F 144 GLU B 15 GLU^? 1000.00 F 164 GLU B 26 GLU^? 1000.00 coo 57.12 70.68 155.10 57.52 69.95 155.02 -1.32 -35.21 -83.27 -1.35 -36.02 -83.59 coo 60.62 73.13 154.21 59.05 74.26 153.35 -4.24 -34.31 -88.08 -5.97 -33.27 -87.50 coo 56.75 71.71 148.46 58.44 71.01 149.54 2.14 -30.76 -88.51 1.40 -30.52 -90.48 ULMN 3 1dub_c17 2-ENOYL-COA HYDRATASE user 5 3 # 5 F 141 GLY B 151 GLY^? 1000.00 F 144 GLU B 153 GLU^? 1000.00 F 164 GLU B 136 GLU^? 1000.00 coo 57.12 70.68 155.10 57.52 69.95 155.02 26.78 -31.24 -77.41 26.20 -30.80 -77.74 coo 60.62 73.13 154.21 59.05 74.26 153.35 25.57 -29.21 -72.73 26.88 -27.75 -73.52 coo 56.75 71.71 148.46 58.44 71.01 149.54 20.45 -32.33 -77.94 19.74 -34.24 -78.49 ULMN 3 1dub_c17 2-ENOYL-COA HYDRATASE user 6 3 # 6 F 141 GLY B 154 GLY^? 1000.00 F 144 GLU B 153 GLU^? 1000.00 F 164 GLU B 136 GLU^? 1000.00 coo 57.12 70.68 155.10 57.52 69.95 155.02 20.35 -28.87 -70.45 21.04 -28.86 -70.00 coo 60.62 73.13 154.21 59.05 74.26 153.35 25.57 -29.21 -72.73 26.88 -27.75 -73.52 coo 56.75 71.71 148.46 58.44 71.01 149.54 20.45 -32.33 -77.94 19.74 -34.24 -78.49 1dub_c17 source 1dub 2-ENOYL-COA HYDRATASE : 6 hits 1dub_c17 naa= 3 ULMN 3 1e19_c00 CARBAMATE KINASE-LIKE CARBAMOYLPHOSPuser 1 3 # 1 A 131 LYS A 11 LYS.? 1000.00 A 215 LYS A 101 LYS^? 1000.00 A 277 LYS A 131 LYS^? 1000.00 coo 0.50 24.09 51.68 1.51 29.34 52.35 35.58 -20.94 -33.59 38.95 -22.16 -38.38 coo 13.06 30.79 51.73 11.40 35.76 53.48 21.27 -27.97 -34.76 23.33 -33.29 -31.87 coo 13.04 31.88 60.72 10.57 35.34 57.49 20.68 -24.51 -44.83 21.09 -22.52 -49.85 ULMN 3 1e19_c00 CARBAMATE KINASE-LIKE CARBAMOYLPHOSPuser 2 3 # 2 A 131 LYS A 22 LYS~? 1000.00 A 215 LYS A 11 LYS.? 1000.00 A 277 LYS A 69 LYS^? 1000.00 coo 0.50 24.09 51.68 1.51 29.34 52.35 31.99 -23.27 -21.33 35.03 -27.43 -17.58 coo 13.06 30.79 51.73 11.40 35.76 53.48 35.58 -20.94 -33.59 38.95 -22.16 -38.38 coo 13.04 31.88 60.72 10.57 35.34 57.49 32.90 -11.51 -34.53 36.58 -11.70 -35.14 ULMN 3 1e19_c00 CARBAMATE KINASE-LIKE CARBAMOYLPHOSPuser 3 3 # 3 A 131 LYS A 61 LYS^? 1000.00 A 215 LYS A 8 LYS^? 1000.00 A 277 LYS A 11 LYS.? 1000.00 coo 0.50 24.09 51.68 1.51 29.34 52.35 21.64 -11.48 -26.11 26.63 -11.26 -28.52 coo 13.06 30.79 51.73 11.40 35.76 53.48 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 13.04 31.88 60.72 10.57 35.34 57.49 35.58 -20.94 -33.59 38.95 -22.16 -38.38 ULMN 3 1e19_c00 CARBAMATE KINASE-LIKE CARBAMOYLPHOSPuser 4 3 # 4 A 131 LYS A 61 LYS^? 1000.00 A 215 LYS A 8 LYS^? 1000.00 A 277 LYS A 22 LYS~? 1000.00 coo 0.50 24.09 51.68 1.51 29.34 52.35 21.64 -11.48 -26.11 26.63 -11.26 -28.52 coo 13.06 30.79 51.73 11.40 35.76 53.48 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 13.04 31.88 60.72 10.57 35.34 57.49 31.99 -23.27 -21.33 35.03 -27.43 -17.58 ULMN 3 1e19_c00 CARBAMATE KINASE-LIKE CARBAMOYLPHOSPuser 5 3 # 5 A 131 LYS A 61 LYS^? 1000.00 A 215 LYS A 8 LYS^? 1000.00 A 277 LYS A 101 LYS^? 1000.00 coo 0.50 24.09 51.68 1.51 29.34 52.35 21.64 -11.48 -26.11 26.63 -11.26 -28.52 coo 13.06 30.79 51.73 11.40 35.76 53.48 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 13.04 31.88 60.72 10.57 35.34 57.49 21.27 -27.97 -34.76 23.33 -33.29 -31.87 ULMN 3 1e19_c00 CARBAMATE KINASE-LIKE CARBAMOYLPHOSPuser 6 3 # 6 A 131 LYS A 61 LYS^? 1000.00 A 215 LYS A 23 LYS.? 1000.00 A 277 LYS A 11 LYS.? 1000.00 coo 0.50 24.09 51.68 1.51 29.34 52.35 21.64 -11.48 -26.11 26.63 -11.26 -28.52 coo 13.06 30.79 51.73 11.40 35.76 53.48 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 13.04 31.88 60.72 10.57 35.34 57.49 35.58 -20.94 -33.59 38.95 -22.16 -38.38 ULMN 3 1e19_c00 CARBAMATE KINASE-LIKE CARBAMOYLPHOSPuser 7 3 # 7 A 131 LYS A 61 LYS^? 1000.00 A 215 LYS A 69 LYS^? 1000.00 A 277 LYS A 11 LYS.? 1000.00 coo 0.50 24.09 51.68 1.51 29.34 52.35 21.64 -11.48 -26.11 26.63 -11.26 -28.52 coo 13.06 30.79 51.73 11.40 35.76 53.48 32.90 -11.51 -34.53 36.58 -11.70 -35.14 coo 13.04 31.88 60.72 10.57 35.34 57.49 35.58 -20.94 -33.59 38.95 -22.16 -38.38 ULMN 3 1e19_c00 CARBAMATE KINASE-LIKE CARBAMOYLPHOSPuser 8 3 # 8 A 131 LYS A 69 LYS^? 1000.00 A 215 LYS A 8 LYS^? 1000.00 A 277 LYS A 22 LYS~? 1000.00 coo 0.50 24.09 51.68 1.51 29.34 52.35 32.90 -11.51 -34.53 36.58 -11.70 -35.14 coo 13.06 30.79 51.73 11.40 35.76 53.48 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 13.04 31.88 60.72 10.57 35.34 57.49 31.99 -23.27 -21.33 35.03 -27.43 -17.58 ULMN 3 1e19_c00 CARBAMATE KINASE-LIKE CARBAMOYLPHOSPuser 9 3 # 9 A 131 LYS A 101 LYS^? 1000.00 A 215 LYS A 11 LYS.? 1000.00 A 277 LYS A 23 LYS.? 1000.00 coo 0.50 24.09 51.68 1.51 29.34 52.35 21.27 -27.97 -34.76 23.33 -33.29 -31.87 coo 13.06 30.79 51.73 11.40 35.76 53.48 35.58 -20.94 -33.59 38.95 -22.16 -38.38 coo 13.04 31.88 60.72 10.57 35.34 57.49 32.67 -20.15 -23.43 38.88 -20.02 -24.22 ULMN 3 1e19_c00 CARBAMATE KINASE-LIKE CARBAMOYLPHOSPuser 10 3 # 10 A 131 LYS B 11 LYS^? 1000.00 A 215 LYS B 101 LYS^? 1000.00 A 277 LYS B 131 LYS^? 1000.00 coo 0.50 24.09 51.68 1.51 29.34 52.35 0.33 -41.28 -75.95 -0.30 -44.81 -71.18 coo 13.06 30.79 51.73 11.40 35.76 53.48 13.59 -32.41 -74.79 17.17 -36.84 -77.71 coo 13.04 31.88 60.72 10.57 35.34 57.49 10.88 -30.17 -64.72 8.95 -29.51 -59.71 ULMN 3 1e19_c00 CARBAMATE KINASE-LIKE CARBAMOYLPHOSPuser 11 3 # 11 A 131 LYS B 22 LYS^? 1000.00 A 215 LYS B 11 LYS^? 1000.00 A 277 LYS B 69 LYS^? 1000.00 coo 0.50 24.09 51.68 1.51 29.34 52.35 4.13 -39.33 -88.23 6.19 -44.05 -91.97 coo 13.06 30.79 51.73 11.40 35.76 53.48 0.33 -41.28 -75.95 -0.30 -44.81 -71.18 coo 13.04 31.88 60.72 10.57 35.34 57.49 -6.51 -34.23 -75.02 -8.20 -37.51 -74.40 ULMN 3 1e19_c00 CARBAMATE KINASE-LIKE CARBAMOYLPHOSPuser 12 3 # 12 A 131 LYS B 61 LYS^? 1000.00 A 215 LYS B 8 LYS^? 1000.00 A 277 LYS B 11 LYS^? 1000.00 coo 0.50 24.09 51.68 1.51 29.34 52.35 -0.89 -24.47 -83.43 -3.57 -28.69 -81.00 coo 13.06 30.79 51.73 11.40 35.76 53.48 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 13.04 31.88 60.72 10.57 35.34 57.49 0.33 -41.28 -75.95 -0.30 -44.81 -71.18 ULMN 3 1e19_c00 CARBAMATE KINASE-LIKE CARBAMOYLPHOSPuser 13 3 # 13 A 131 LYS B 61 LYS^? 1000.00 A 215 LYS B 8 LYS^? 1000.00 A 277 LYS B 22 LYS^? 1000.00 coo 0.50 24.09 51.68 1.51 29.34 52.35 -0.89 -24.47 -83.43 -3.57 -28.69 -81.00 coo 13.06 30.79 51.73 11.40 35.76 53.48 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 13.04 31.88 60.72 10.57 35.34 57.49 4.13 -39.33 -88.23 6.19 -44.05 -91.97 ULMN 3 1e19_c00 CARBAMATE KINASE-LIKE CARBAMOYLPHOSPuser 14 3 # 14 A 131 LYS B 61 LYS^? 1000.00 A 215 LYS B 8 LYS^? 1000.00 A 277 LYS B 101 LYS^? 1000.00 coo 0.50 24.09 51.68 1.51 29.34 52.35 -0.89 -24.47 -83.43 -3.57 -28.69 -81.00 coo 13.06 30.79 51.73 11.40 35.76 53.48 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 13.04 31.88 60.72 10.57 35.34 57.49 13.59 -32.41 -74.79 17.17 -36.84 -77.71 ULMN 3 1e19_c00 CARBAMATE KINASE-LIKE CARBAMOYLPHOSPuser 15 3 # 15 A 131 LYS B 61 LYS^? 1000.00 A 215 LYS B 23 LYS^? 1000.00 A 277 LYS B 11 LYS^? 1000.00 coo 0.50 24.09 51.68 1.51 29.34 52.35 -0.89 -24.47 -83.43 -3.57 -28.69 -81.00 coo 13.06 30.79 51.73 11.40 35.76 53.48 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 13.04 31.88 60.72 10.57 35.34 57.49 0.33 -41.28 -75.95 -0.30 -44.81 -71.18 ULMN 3 1e19_c00 CARBAMATE KINASE-LIKE CARBAMOYLPHOSPuser 16 3 # 16 A 131 LYS B 61 LYS^? 1000.00 A 215 LYS B 69 LYS^? 1000.00 A 277 LYS B 11 LYS^? 1000.00 coo 0.50 24.09 51.68 1.51 29.34 52.35 -0.89 -24.47 -83.43 -3.57 -28.69 -81.00 coo 13.06 30.79 51.73 11.40 35.76 53.48 -6.51 -34.23 -75.02 -8.20 -37.51 -74.40 coo 13.04 31.88 60.72 10.57 35.34 57.49 0.33 -41.28 -75.95 -0.30 -44.81 -71.18 ULMN 3 1e19_c00 CARBAMATE KINASE-LIKE CARBAMOYLPHOSPuser 17 3 # 17 A 131 LYS B 69 LYS^? 1000.00 A 215 LYS B 8 LYS^? 1000.00 A 277 LYS B 22 LYS^? 1000.00 coo 0.50 24.09 51.68 1.51 29.34 52.35 -6.51 -34.23 -75.02 -8.20 -37.51 -74.40 coo 13.06 30.79 51.73 11.40 35.76 53.48 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 13.04 31.88 60.72 10.57 35.34 57.49 4.13 -39.33 -88.23 6.19 -44.05 -91.97 ULMN 3 1e19_c00 CARBAMATE KINASE-LIKE CARBAMOYLPHOSPuser 18 3 # 18 A 131 LYS B 101 LYS^? 1000.00 A 215 LYS B 11 LYS^? 1000.00 A 277 LYS B 23 LYS^? 1000.00 coo 0.50 24.09 51.68 1.51 29.34 52.35 13.59 -32.41 -74.79 17.17 -36.84 -77.71 coo 13.06 30.79 51.73 11.40 35.76 53.48 0.33 -41.28 -75.95 -0.30 -44.81 -71.18 coo 13.04 31.88 60.72 10.57 35.34 57.49 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 1e19_c00 source 1e19 CARBAMATE KINASE-LIKE CARBAMOYLPHOSPHATE SYNTH: 18 hits 1e19_c00 naa= 3 ULMN 3 1e19_c01 CARBAMATE KINASE-LIKE CARBAMOYLPHOSPuser 1 3 # 1 B 131 LYS A 22 LYS~? 1000.00 B 215 LYS A 11 LYS.? 1000.00 B 277 LYS A 69 LYS^? 1000.00 coo 6.78 45.91 16.15 7.82 40.81 15.84 31.99 -23.27 -21.33 35.03 -27.43 -17.58 coo 17.88 38.77 19.81 16.38 34.23 17.24 35.58 -20.94 -33.59 38.95 -22.16 -38.38 coo 20.33 37.78 11.20 16.77 34.53 13.47 32.90 -11.51 -34.53 36.58 -11.70 -35.14 ULMN 3 1e19_c01 CARBAMATE KINASE-LIKE CARBAMOYLPHOSPuser 2 3 # 2 B 131 LYS A 61 LYS^? 1000.00 B 215 LYS A 8 LYS^? 1000.00 B 277 LYS A 11 LYS.? 1000.00 coo 6.78 45.91 16.15 7.82 40.81 15.84 21.64 -11.48 -26.11 26.63 -11.26 -28.52 coo 17.88 38.77 19.81 16.38 34.23 17.24 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 20.33 37.78 11.20 16.77 34.53 13.47 35.58 -20.94 -33.59 38.95 -22.16 -38.38 ULMN 3 1e19_c01 CARBAMATE KINASE-LIKE CARBAMOYLPHOSPuser 3 3 # 3 B 131 LYS A 61 LYS^? 1000.00 B 215 LYS A 8 LYS^? 1000.00 B 277 LYS A 22 LYS~? 1000.00 coo 6.78 45.91 16.15 7.82 40.81 15.84 21.64 -11.48 -26.11 26.63 -11.26 -28.52 coo 17.88 38.77 19.81 16.38 34.23 17.24 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 20.33 37.78 11.20 16.77 34.53 13.47 31.99 -23.27 -21.33 35.03 -27.43 -17.58 ULMN 3 1e19_c01 CARBAMATE KINASE-LIKE CARBAMOYLPHOSPuser 4 3 # 4 B 131 LYS A 61 LYS^? 1000.00 B 215 LYS A 23 LYS.? 1000.00 B 277 LYS A 11 LYS.? 1000.00 coo 6.78 45.91 16.15 7.82 40.81 15.84 21.64 -11.48 -26.11 26.63 -11.26 -28.52 coo 17.88 38.77 19.81 16.38 34.23 17.24 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 20.33 37.78 11.20 16.77 34.53 13.47 35.58 -20.94 -33.59 38.95 -22.16 -38.38 ULMN 3 1e19_c01 CARBAMATE KINASE-LIKE CARBAMOYLPHOSPuser 5 3 # 5 B 131 LYS A 61 LYS^? 1000.00 B 215 LYS A 69 LYS^? 1000.00 B 277 LYS A 11 LYS.? 1000.00 coo 6.78 45.91 16.15 7.82 40.81 15.84 21.64 -11.48 -26.11 26.63 -11.26 -28.52 coo 17.88 38.77 19.81 16.38 34.23 17.24 32.90 -11.51 -34.53 36.58 -11.70 -35.14 coo 20.33 37.78 11.20 16.77 34.53 13.47 35.58 -20.94 -33.59 38.95 -22.16 -38.38 ULMN 3 1e19_c01 CARBAMATE KINASE-LIKE CARBAMOYLPHOSPuser 6 3 # 6 B 131 LYS A 69 LYS^? 1000.00 B 215 LYS A 8 LYS^? 1000.00 B 277 LYS A 22 LYS~? 1000.00 coo 6.78 45.91 16.15 7.82 40.81 15.84 32.90 -11.51 -34.53 36.58 -11.70 -35.14 coo 17.88 38.77 19.81 16.38 34.23 17.24 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 20.33 37.78 11.20 16.77 34.53 13.47 31.99 -23.27 -21.33 35.03 -27.43 -17.58 ULMN 3 1e19_c01 CARBAMATE KINASE-LIKE CARBAMOYLPHOSPuser 7 3 # 7 B 131 LYS A 161 LYS^? 1000.00 B 215 LYS A 131 LYS^? 1000.00 B 277 LYS A 101 LYS^? 1000.00 coo 6.78 45.91 16.15 7.82 40.81 15.84 13.77 -33.76 -47.87 14.11 -36.54 -52.77 coo 17.88 38.77 19.81 16.38 34.23 17.24 20.68 -24.51 -44.83 21.09 -22.52 -49.85 coo 20.33 37.78 11.20 16.77 34.53 13.47 21.27 -27.97 -34.76 23.33 -33.29 -31.87 ULMN 3 1e19_c01 CARBAMATE KINASE-LIKE CARBAMOYLPHOSPuser 8 3 # 8 B 131 LYS B 22 LYS^? 1000.00 B 215 LYS B 11 LYS^? 1000.00 B 277 LYS B 69 LYS^? 1000.00 coo 6.78 45.91 16.15 7.82 40.81 15.84 4.13 -39.33 -88.23 6.19 -44.05 -91.97 coo 17.88 38.77 19.81 16.38 34.23 17.24 0.33 -41.28 -75.95 -0.30 -44.81 -71.18 coo 20.33 37.78 11.20 16.77 34.53 13.47 -6.51 -34.23 -75.02 -8.20 -37.51 -74.40 ULMN 3 1e19_c01 CARBAMATE KINASE-LIKE CARBAMOYLPHOSPuser 9 3 # 9 B 131 LYS B 61 LYS^? 1000.00 B 215 LYS B 8 LYS^? 1000.00 B 277 LYS B 11 LYS^? 1000.00 coo 6.78 45.91 16.15 7.82 40.81 15.84 -0.89 -24.47 -83.43 -3.57 -28.69 -81.00 coo 17.88 38.77 19.81 16.38 34.23 17.24 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 20.33 37.78 11.20 16.77 34.53 13.47 0.33 -41.28 -75.95 -0.30 -44.81 -71.18 ULMN 3 1e19_c01 CARBAMATE KINASE-LIKE CARBAMOYLPHOSPuser 10 3 # 10 B 131 LYS B 61 LYS^? 1000.00 B 215 LYS B 8 LYS^? 1000.00 B 277 LYS B 22 LYS^? 1000.00 coo 6.78 45.91 16.15 7.82 40.81 15.84 -0.89 -24.47 -83.43 -3.57 -28.69 -81.00 coo 17.88 38.77 19.81 16.38 34.23 17.24 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 20.33 37.78 11.20 16.77 34.53 13.47 4.13 -39.33 -88.23 6.19 -44.05 -91.97 ULMN 3 1e19_c01 CARBAMATE KINASE-LIKE CARBAMOYLPHOSPuser 11 3 # 11 B 131 LYS B 61 LYS^? 1000.00 B 215 LYS B 23 LYS^? 1000.00 B 277 LYS B 11 LYS^? 1000.00 coo 6.78 45.91 16.15 7.82 40.81 15.84 -0.89 -24.47 -83.43 -3.57 -28.69 -81.00 coo 17.88 38.77 19.81 16.38 34.23 17.24 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 20.33 37.78 11.20 16.77 34.53 13.47 0.33 -41.28 -75.95 -0.30 -44.81 -71.18 ULMN 3 1e19_c01 CARBAMATE KINASE-LIKE CARBAMOYLPHOSPuser 12 3 # 12 B 131 LYS B 61 LYS^? 1000.00 B 215 LYS B 69 LYS^? 1000.00 B 277 LYS B 11 LYS^? 1000.00 coo 6.78 45.91 16.15 7.82 40.81 15.84 -0.89 -24.47 -83.43 -3.57 -28.69 -81.00 coo 17.88 38.77 19.81 16.38 34.23 17.24 -6.51 -34.23 -75.02 -8.20 -37.51 -74.40 coo 20.33 37.78 11.20 16.77 34.53 13.47 0.33 -41.28 -75.95 -0.30 -44.81 -71.18 ULMN 3 1e19_c01 CARBAMATE KINASE-LIKE CARBAMOYLPHOSPuser 13 3 # 13 B 131 LYS B 69 LYS^? 1000.00 B 215 LYS B 8 LYS^? 1000.00 B 277 LYS B 22 LYS^? 1000.00 coo 6.78 45.91 16.15 7.82 40.81 15.84 -6.51 -34.23 -75.02 -8.20 -37.51 -74.40 coo 17.88 38.77 19.81 16.38 34.23 17.24 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 20.33 37.78 11.20 16.77 34.53 13.47 4.13 -39.33 -88.23 6.19 -44.05 -91.97 ULMN 3 1e19_c01 CARBAMATE KINASE-LIKE CARBAMOYLPHOSPuser 14 3 # 14 B 131 LYS B 161 LYS^? 1000.00 B 215 LYS B 131 LYS^? 1000.00 B 277 LYS B 101 LYS^? 1000.00 coo 6.78 45.91 16.15 7.82 40.81 15.84 22.36 -28.82 -61.68 24.60 -30.50 -56.79 coo 17.88 38.77 19.81 16.38 34.23 17.24 10.88 -30.17 -64.72 8.95 -29.51 -59.71 coo 20.33 37.78 11.20 16.77 34.53 13.47 13.59 -32.41 -74.79 17.17 -36.84 -77.71 1e19_c01 source 1e19 CARBAMATE KINASE-LIKE CARBAMOYLPHOSPHATE SYNTH: 14 hits 1e19_c01 naa= 3 ULMN 3 1e2t_c00 N-HYDROXYARYLAMINE O-ACETYLTRANSFERAuser 1 3 # 1 A 69 CYH A 88 CYH^? 1000.00 A 107 HIS A 21 HIS~? 1000.00 A 122 ASP A 18 ASP~? 1000.00 coo 107.06 101.85 70.21 107.82 99.27 70.56 18.68 -26.29 -20.51 21.30 -26.44 -21.57 coo 112.02 99.34 69.11 112.26 101.12 70.20 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo 114.37 105.59 70.16 113.40 104.00 71.21 26.87 -23.27 -16.72 26.31 -23.96 -18.62 ULMN 3 1e2t_c00 N-HYDROXYARYLAMINE O-ACETYLTRANSFERAuser 2 3 # 2 A 69 CYH B 88 CYH^? 1000.00 A 107 HIS B 21 HIS^? 1000.00 A 122 ASP B 18 ASP^? 1000.00 coo 107.06 101.85 70.21 107.82 99.27 70.56 13.42 -29.32 -89.04 12.25 -31.64 -87.96 coo 112.02 99.34 69.11 112.26 101.12 70.20 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo 114.37 105.59 70.16 113.40 104.00 71.21 6.68 -34.89 -92.82 7.57 -34.75 -90.92 1e2t_c00 source 1e2t N-HYDROXYARYLAMINE O-ACETYLTRANSFERASE : 2 hits 1e2t_c00 naa= 3 ULMN 3 1e2t_c04 N-HYDROXYARYLAMINE O-ACETYLTRANSFERAuser 1 3 # 1 E 69 CYH A 88 CYH^? 1000.00 E 107 HIS A 21 HIS~? 1000.00 E 122 ASP A 18 ASP~? 1000.00 coo 26.92 104.93 15.26 26.00 102.32 15.14 18.68 -26.29 -20.51 21.30 -26.44 -21.57 coo 21.83 102.75 16.48 21.72 104.53 15.38 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo 19.90 109.15 15.39 20.77 107.51 14.36 26.87 -23.27 -16.72 26.31 -23.96 -18.62 ULMN 3 1e2t_c04 N-HYDROXYARYLAMINE O-ACETYLTRANSFERAuser 2 3 # 2 E 69 CYH B 88 CYH^? 1000.00 E 107 HIS B 21 HIS^? 1000.00 E 122 ASP B 18 ASP^? 1000.00 coo 26.92 104.93 15.26 26.00 102.32 15.14 13.42 -29.32 -89.04 12.25 -31.64 -87.96 coo 21.83 102.75 16.48 21.72 104.53 15.38 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo 19.90 109.15 15.39 20.77 107.51 14.36 6.68 -34.89 -92.82 7.57 -34.75 -90.92 1e2t_c04 source 1e2t N-HYDROXYARYLAMINE O-ACETYLTRANSFERASE : 2 hits 1e2t_c04 naa= 3 ULMN 3 1e2t_c06 N-HYDROXYARYLAMINE O-ACETYLTRANSFERAuser 1 3 # 1 G 69 CYH A 88 CYH^? 1000.00 G 107 HIS A 21 HIS~? 1000.00 G 122 ASP A 18 ASP~? 1000.00 coo 29.36 85.15 35.54 31.07 87.28 35.30 18.68 -26.29 -20.51 21.30 -26.44 -21.57 coo 28.98 90.29 37.87 28.74 88.77 39.28 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo 25.53 86.86 42.58 27.46 86.99 41.71 26.87 -23.27 -16.72 26.31 -23.96 -18.62 ULMN 3 1e2t_c06 N-HYDROXYARYLAMINE O-ACETYLTRANSFERAuser 2 3 # 2 G 69 CYH B 88 CYH^? 1000.00 G 107 HIS B 21 HIS^? 1000.00 G 122 ASP B 18 ASP^? 1000.00 coo 29.36 85.15 35.54 31.07 87.28 35.30 13.42 -29.32 -89.04 12.25 -31.64 -87.96 coo 28.98 90.29 37.87 28.74 88.77 39.28 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo 25.53 86.86 42.58 27.46 86.99 41.71 6.68 -34.89 -92.82 7.57 -34.75 -90.92 1e2t_c06 source 1e2t N-HYDROXYARYLAMINE O-ACETYLTRANSFERASE : 2 hits 1e2t_c06 naa= 3 ULMN 3 1e2t_c07 N-HYDROXYARYLAMINE O-ACETYLTRANSFERAuser 1 3 # 1 H 69 CYH A 88 CYH^? 1000.00 H 107 HIS A 21 HIS~? 1000.00 H 122 ASP A 18 ASP~? 1000.00 coo 44.08 72.69 2.52 44.26 75.30 1.64 18.68 -26.29 -20.51 21.30 -26.44 -21.57 coo 47.49 75.16 -1.32 46.47 73.52 -2.11 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo 47.09 69.01 -4.12 45.87 70.66 -3.64 26.87 -23.27 -16.72 26.31 -23.96 -18.62 ULMN 3 1e2t_c07 N-HYDROXYARYLAMINE O-ACETYLTRANSFERAuser 2 3 # 2 H 69 CYH B 88 CYH^? 1000.00 H 107 HIS B 21 HIS^? 1000.00 H 122 ASP B 18 ASP^? 1000.00 coo 44.08 72.69 2.52 44.26 75.30 1.64 13.42 -29.32 -89.04 12.25 -31.64 -87.96 coo 47.49 75.16 -1.32 46.47 73.52 -2.11 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo 47.09 69.01 -4.12 45.87 70.66 -3.64 6.68 -34.89 -92.82 7.57 -34.75 -90.92 1e2t_c07 source 1e2t N-HYDROXYARYLAMINE O-ACETYLTRANSFERASE : 2 hits 1e2t_c07 naa= 3 ULMN 3 1e7q_c01 GDP-FUCOSE SYNTHETASE user 1 3 # 1 A 107 ALA A 106 ALA^? 1000.00 A 136 TYR A 130 TYR^? 1000.00 A 140 LYS A 131 LYS^? 1000.00 coo 55.90 7.49 23.83 56.71 8.23 22.76 25.41 -17.27 -41.77 25.21 -16.85 -43.22 coo 59.38 10.02 17.51 59.95 9.89 20.21 19.24 -22.19 -40.85 16.56 -22.21 -40.14 coo 59.52 3.69 18.67 62.31 6.19 22.58 20.68 -24.51 -44.83 21.09 -22.52 -49.85 ULMN 3 1e7q_c01 GDP-FUCOSE SYNTHETASE user 2 3 # 2 A 107 ALA B 106 ALA^? 1000.00 A 136 TYR B 130 TYR^? 1000.00 A 140 LYS B 131 LYS^? 1000.00 coo 55.90 7.49 23.83 56.71 8.23 22.76 2.25 -30.64 -67.78 1.99 -30.27 -66.32 coo 59.38 10.02 17.51 59.95 9.89 20.21 9.59 -27.76 -68.70 10.95 -25.45 -69.40 coo 59.52 3.69 18.67 62.31 6.19 22.58 10.88 -30.17 -64.72 8.95 -29.51 -59.71 1e7q_c01 source 1e7q GDP-FUCOSE SYNTHETASE : 2 hits 1e7q_c01 naa= 3 ULMN 3 1eag_c04 PEPTIDE INHIBITOR user 1 3 # 1 A 32 ASP A 18 ASP~? 1000.00 A 35 SER A 16 SER.? 1000.00 A 218 ASP A 4 ASP^? 1000.00 coo 47.22 22.34 8.57 45.16 22.02 9.13 26.87 -23.27 -16.72 26.31 -23.96 -18.62 coo 43.58 20.85 5.15 44.62 23.01 5.76 29.28 -18.48 -20.76 27.76 -20.30 -20.33 coo 44.05 16.99 12.67 44.05 18.89 11.74 19.46 -21.33 -18.77 18.88 -20.63 -16.86 ULMN 3 1eag_c04 PEPTIDE INHIBITOR user 2 3 # 2 A 32 ASP B 18 ASP^? 1000.00 A 35 SER B 16 SER^? 1000.00 A 218 ASP B 4 ASP^? 1000.00 coo 47.22 22.34 8.57 45.16 22.02 9.13 6.68 -34.89 -92.82 7.57 -34.75 -90.92 coo 43.58 20.85 5.15 44.62 23.01 5.76 1.34 -34.60 -88.79 3.68 -34.16 -89.21 coo 44.05 16.99 12.67 44.05 18.89 11.74 8.72 -27.52 -90.78 8.40 -26.67 -92.69 1eag_c04 source 1eag PEPTIDE INHIBITOR : 2 hits 1eag_c04 naa= 3 ULMN 3 1ecf_c00 GLUTAMINE PHOSPHORIBOSYLPYROPHOSPHATuser 1 3 # 1 A 1 CYH A 38 CYH.? 1000.00 A 101 ASN A 36 ASN^? 1000.00 A 102 GLY A 35 GLY^? 1000.00 coo 71.16 56.96 42.22 68.62 58.09 42.46 -1.23 -24.94 -47.20 -2.69 -27.16 -46.35 coo 72.93 61.40 42.14 73.34 60.57 44.12 4.01 -26.37 -45.94 2.34 -27.21 -44.98 coo 70.24 64.11 45.02 69.59 63.75 44.65 5.53 -24.22 -42.04 6.16 -24.06 -42.59 ULMN 3 1ecf_c00 GLUTAMINE PHOSPHORIBOSYLPYROPHOSPHATuser 2 3 # 2 A 1 CYH A 38 CYH.? 1000.00 A 101 ASN A 36 ASN^? 1000.00 A 102 GLY A 50 GLY.? 1000.00 coo 71.16 56.96 42.22 68.62 58.09 42.46 -1.23 -24.94 -47.20 -2.69 -27.16 -46.35 coo 72.93 61.40 42.14 73.34 60.57 44.12 4.01 -26.37 -45.94 2.34 -27.21 -44.98 coo 70.24 64.11 45.02 69.59 63.75 44.65 2.97 -27.10 -51.73 3.20 -27.54 -51.07 ULMN 3 1ecf_c00 GLUTAMINE PHOSPHORIBOSYLPYROPHOSPHATuser 3 3 # 3 A 1 CYH B 38 CYH^? 1000.00 A 101 ASN B 36 ASN^? 1000.00 A 102 GLY B 35 GLY^? 1000.00 coo 71.16 56.96 42.22 68.62 58.09 42.46 22.25 -11.43 -62.34 24.89 -11.25 -63.24 coo 72.93 61.40 42.14 73.34 60.57 44.12 20.84 -16.68 -63.62 22.42 -15.65 -64.57 coo 70.24 64.11 45.02 69.59 63.75 44.65 18.19 -16.89 -67.51 17.74 -17.36 -66.95 ULMN 3 1ecf_c00 GLUTAMINE PHOSPHORIBOSYLPYROPHOSPHATuser 4 3 # 4 A 1 CYH B 38 CYH^? 1000.00 A 101 ASN B 36 ASN^? 1000.00 A 102 GLY B 50 GLY^? 1000.00 coo 71.16 56.96 42.22 68.62 58.09 42.46 22.25 -11.43 -62.34 24.89 -11.25 -63.24 coo 72.93 61.40 42.14 73.34 60.57 44.12 20.84 -16.68 -63.62 22.42 -15.65 -64.57 coo 70.24 64.11 45.02 69.59 63.75 44.65 21.98 -16.14 -57.82 22.26 -16.57 -58.48 1ecf_c00 source 1ecf GLUTAMINE PHOSPHORIBOSYLPYROPHOSPHATE AMIDOTRA: 4 hits 1ecf_c00 naa= 3 ULMN 3 1ecf_c01 GLUTAMINE PHOSPHORIBOSYLPYROPHOSPHATuser 1 3 # 1 B 1 CYH A 38 CYH.? 1000.00 B 101 ASN A 36 ASN^? 1000.00 B 102 GLY A 35 GLY^? 1000.00 coo 75.18 21.70 37.98 75.10 20.53 35.34 -1.23 -24.94 -47.20 -2.69 -27.16 -46.35 coo 75.17 17.26 39.63 77.17 18.02 39.88 4.01 -26.37 -45.94 2.34 -27.21 -44.98 coo 77.89 14.61 36.82 77.45 14.93 36.19 5.53 -24.22 -42.04 6.16 -24.06 -42.59 ULMN 3 1ecf_c01 GLUTAMINE PHOSPHORIBOSYLPYROPHOSPHATuser 2 3 # 2 B 1 CYH A 38 CYH.? 1000.00 B 101 ASN A 36 ASN^? 1000.00 B 102 GLY A 50 GLY.? 1000.00 coo 75.18 21.70 37.98 75.10 20.53 35.34 -1.23 -24.94 -47.20 -2.69 -27.16 -46.35 coo 75.17 17.26 39.63 77.17 18.02 39.88 4.01 -26.37 -45.94 2.34 -27.21 -44.98 coo 77.89 14.61 36.82 77.45 14.93 36.19 2.97 -27.10 -51.73 3.20 -27.54 -51.07 ULMN 3 1ecf_c01 GLUTAMINE PHOSPHORIBOSYLPYROPHOSPHATuser 3 3 # 3 B 1 CYH B 38 CYH^? 1000.00 B 101 ASN B 36 ASN^? 1000.00 B 102 GLY B 35 GLY^? 1000.00 coo 75.18 21.70 37.98 75.10 20.53 35.34 22.25 -11.43 -62.34 24.89 -11.25 -63.24 coo 75.17 17.26 39.63 77.17 18.02 39.88 20.84 -16.68 -63.62 22.42 -15.65 -64.57 coo 77.89 14.61 36.82 77.45 14.93 36.19 18.19 -16.89 -67.51 17.74 -17.36 -66.95 ULMN 3 1ecf_c01 GLUTAMINE PHOSPHORIBOSYLPYROPHOSPHATuser 4 3 # 4 B 1 CYH B 38 CYH^? 1000.00 B 101 ASN B 36 ASN^? 1000.00 B 102 GLY B 50 GLY^? 1000.00 coo 75.18 21.70 37.98 75.10 20.53 35.34 22.25 -11.43 -62.34 24.89 -11.25 -63.24 coo 75.17 17.26 39.63 77.17 18.02 39.88 20.84 -16.68 -63.62 22.42 -15.65 -64.57 coo 77.89 14.61 36.82 77.45 14.93 36.19 21.98 -16.14 -57.82 22.26 -16.57 -58.48 1ecf_c01 source 1ecf GLUTAMINE PHOSPHORIBOSYLPYROPHOSPHATE AMIDOTRA: 4 hits 1ecf_c01 naa= 3 ULMN 3 1eed_c04 ENDOTHIAPEPSIN (E.C.3.4.23.22) COMPLuser 1 3 # 1 P 32 ASP A 18 ASP~? 1000.00 P 35 SER A 16 SER.? 1000.00 P 215 ASP A 4 ASP^? 1000.00 coo 10.15 33.41 11.98 7.98 33.66 12.07 26.87 -23.27 -16.72 26.31 -23.96 -18.62 coo 7.57 37.60 10.00 8.86 37.02 12.03 29.28 -18.48 -20.76 27.76 -20.30 -20.33 coo 4.04 29.97 8.82 4.78 31.15 10.46 19.46 -21.33 -18.77 18.88 -20.63 -16.86 ULMN 3 1eed_c04 ENDOTHIAPEPSIN (E.C.3.4.23.22) COMPLuser 2 3 # 2 P 32 ASP B 18 ASP^? 1000.00 P 35 SER B 16 SER^? 1000.00 P 215 ASP B 4 ASP^? 1000.00 coo 10.15 33.41 11.98 7.98 33.66 12.07 6.68 -34.89 -92.82 7.57 -34.75 -90.92 coo 7.57 37.60 10.00 8.86 37.02 12.03 1.34 -34.60 -88.79 3.68 -34.16 -89.21 coo 4.04 29.97 8.82 4.78 31.15 10.46 8.72 -27.52 -90.78 8.40 -26.67 -92.69 1eed_c04 source 1eed ENDOTHIAPEPSIN (E.C.3.4.23.22) COMPLEX WITH TH: 2 hits 1eed_c04 naa= 3 ULMN 3 1elq_c02 L-CYSTEINE/L-CYSTINE C-S LYASE user 1 3 # 1 A 114 HIS A 21 HIS~? 1000.00 A 197 ASP A 4 ASP^? 1000.00 A 223 LYS A 61 LYS^? 1000.00 coo -61.07 -8.57 -27.49 -61.31 -7.57 -25.66 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo -56.76 -14.14 -29.82 -57.30 -12.99 -28.11 19.46 -21.33 -18.77 18.88 -20.63 -16.86 coo -56.15 -13.54 -16.74 -58.44 -10.91 -21.86 21.64 -11.48 -26.11 26.63 -11.26 -28.52 ULMN 3 1elq_c02 L-CYSTEINE/L-CYSTINE C-S LYASE user 2 3 # 2 A 114 HIS B 21 HIS^? 1000.00 A 197 ASP B 4 ASP^? 1000.00 A 223 LYS B 61 LYS^? 1000.00 coo -61.07 -8.57 -27.49 -61.31 -7.57 -25.66 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo -56.76 -14.14 -29.82 -57.30 -12.99 -28.11 8.72 -27.52 -90.78 8.40 -26.67 -92.69 coo -56.15 -13.54 -16.74 -58.44 -10.91 -21.86 -0.89 -24.47 -83.43 -3.57 -28.69 -81.00 1elq_c02 source 1elq L-CYSTEINE/L-CYSTINE C-S LYASE : 2 hits 1elq_c02 naa= 3 ULMN 3 1elq_c03 L-CYSTEINE/L-CYSTINE C-S LYASE user 1 3 # 1 B 114 HIS A 21 HIS~? 1000.00 B 197 ASP A 4 ASP^? 1000.00 B 223 LYS A 61 LYS^? 1000.00 coo -32.28 6.89 -26.40 -32.14 5.42 -24.92 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo -36.60 12.85 -27.61 -36.03 11.43 -26.18 19.46 -21.33 -18.77 18.88 -20.63 -16.86 coo -37.05 10.01 -14.84 -34.42 8.53 -20.24 21.64 -11.48 -26.11 26.63 -11.26 -28.52 ULMN 3 1elq_c03 L-CYSTEINE/L-CYSTINE C-S LYASE user 2 3 # 2 B 114 HIS B 21 HIS^? 1000.00 B 197 ASP B 4 ASP^? 1000.00 B 223 LYS B 61 LYS^? 1000.00 coo -32.28 6.89 -26.40 -32.14 5.42 -24.92 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo -36.60 12.85 -27.61 -36.03 11.43 -26.18 8.72 -27.52 -90.78 8.40 -26.67 -92.69 coo -37.05 10.01 -14.84 -34.42 8.53 -20.24 -0.89 -24.47 -83.43 -3.57 -28.69 -81.00 1elq_c03 source 1elq L-CYSTEINE/L-CYSTINE C-S LYASE : 2 hits 1elq_c03 naa= 3 ULMN 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 1 3 # 1 A 229 ALA A 71 ALA^? 1000.00 A 257 ALA A 74 ALA^? 1000.00 A 328 ASP A 127 ASP^? 1000.00 coo 39.84 24.12 8.44 38.50 24.23 9.11 29.48 -7.84 -36.23 30.12 -6.69 -35.49 coo 43.22 26.73 5.37 41.81 27.09 5.79 27.38 -9.84 -40.88 26.76 -8.70 -40.11 coo 38.17 34.10 6.67 37.72 32.06 6.84 18.62 -12.41 -38.39 16.82 -11.65 -37.54 ULMN 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 2 3 # 2 A 229 ALA A 73 ALA^? 1000.00 A 257 ALA A 74 ALA^? 1000.00 A 328 ASP A 127 ASP^? 1000.00 coo 39.84 24.12 8.44 38.50 24.23 9.11 30.28 -11.98 -39.72 29.66 -13.00 -38.79 coo 43.22 26.73 5.37 41.81 27.09 5.79 27.38 -9.84 -40.88 26.76 -8.70 -40.11 coo 38.17 34.10 6.67 37.72 32.06 6.84 18.62 -12.41 -38.39 16.82 -11.65 -37.54 ULMN 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 3 3 # 3 A 229 ALA B 71 ALA^? 1000.00 A 257 ALA B 74 ALA^? 1000.00 A 328 ASP B 127 ASP^? 1000.00 coo 39.84 24.12 8.44 38.50 24.23 9.11 -7.97 -29.45 -73.31 -9.28 -29.43 -74.05 coo 43.22 26.73 5.37 41.81 27.09 5.79 -5.18 -28.61 -68.66 -5.86 -27.52 -69.44 coo 38.17 34.10 6.67 37.72 32.06 6.84 1.44 -22.32 -71.15 1.70 -20.39 -72.00 ULMN 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 4 3 # 4 A 229 ALA B 73 ALA^? 1000.00 A 257 ALA B 74 ALA^? 1000.00 A 328 ASP B 127 ASP^? 1000.00 coo 39.84 24.12 8.44 38.50 24.23 9.11 -4.78 -32.21 -69.82 -3.58 -32.19 -70.74 coo 43.22 26.73 5.37 41.81 27.09 5.79 -5.18 -28.61 -68.66 -5.86 -27.52 -69.44 coo 38.17 34.10 6.67 37.72 32.06 6.84 1.44 -22.32 -71.15 1.70 -20.39 -72.00 1eo7_c00 source 1eo7 CYCLODEXTRIN GLYCOSYLTRANSFERASE : 4 hits 1eo7_c00 naa= 3 ULMN 3 1eq2_c00 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 1 3 # 1 A 116 SER A 16 SER.? 1000.00 A 140 TYR A 6 TYR^? 1000.00 A 144 LYS A 22 LYS~? 1000.00 coo 34.67 35.79 48.83 33.57 37.88 49.47 29.28 -18.48 -20.76 27.76 -20.30 -20.33 coo 29.60 38.99 53.89 30.10 37.88 51.36 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo 32.73 32.94 54.42 29.29 32.83 50.35 31.99 -23.27 -21.33 35.03 -27.43 -17.58 ULMN 3 1eq2_c00 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 2 3 # 2 A 116 SER A 67 SER^? 1000.00 A 140 TYR A 110 TYR^? 1000.00 A 144 LYS A 69 LYS^? 1000.00 coo 34.67 35.79 48.83 33.57 37.88 49.47 29.87 -9.30 -30.54 29.24 -8.38 -28.41 coo 29.60 38.99 53.89 30.10 37.88 51.36 25.37 -7.28 -35.31 26.28 -6.16 -32.97 coo 32.73 32.94 54.42 29.29 32.83 50.35 32.90 -11.51 -34.53 36.58 -11.70 -35.14 ULMN 3 1eq2_c00 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 3 3 # 3 A 116 SER A 72 SER^? 1000.00 A 140 TYR A 110 TYR^? 1000.00 A 144 LYS A 69 LYS^? 1000.00 coo 34.67 35.79 48.83 33.57 37.88 49.47 32.15 -8.85 -38.72 34.11 -8.52 -37.35 coo 29.60 38.99 53.89 30.10 37.88 51.36 25.37 -7.28 -35.31 26.28 -6.16 -32.97 coo 32.73 32.94 54.42 29.29 32.83 50.35 32.90 -11.51 -34.53 36.58 -11.70 -35.14 ULMN 3 1eq2_c00 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 4 3 # 4 A 116 SER A 156 SER^? 1000.00 A 140 TYR A 130 TYR^? 1000.00 A 144 LYS A 131 LYS^? 1000.00 coo 34.67 35.79 48.83 33.57 37.88 49.47 17.18 -29.56 -45.49 18.99 -29.97 -47.06 coo 29.60 38.99 53.89 30.10 37.88 51.36 19.24 -22.19 -40.85 16.56 -22.21 -40.14 coo 32.73 32.94 54.42 29.29 32.83 50.35 20.68 -24.51 -44.83 21.09 -22.52 -49.85 ULMN 3 1eq2_c00 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 5 3 # 5 A 116 SER B 16 SER^? 1000.00 A 140 TYR B 6 TYR^? 1000.00 A 144 LYS B 22 LYS^? 1000.00 coo 34.67 35.79 48.83 33.57 37.88 49.47 1.34 -34.60 -88.79 3.68 -34.16 -89.21 coo 29.60 38.99 53.89 30.10 37.88 51.36 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo 32.73 32.94 54.42 29.29 32.83 50.35 4.13 -39.33 -88.23 6.19 -44.05 -91.97 ULMN 3 1eq2_c00 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 6 3 # 6 A 116 SER B 67 SER^? 1000.00 A 140 TYR B 110 TYR^? 1000.00 A 144 LYS B 69 LYS^? 1000.00 coo 34.67 35.79 48.83 33.57 37.88 49.47 -6.90 -30.50 -78.99 -7.38 -29.51 -81.14 coo 29.60 38.99 53.89 30.10 37.88 51.36 -6.38 -25.61 -74.23 -7.82 -25.83 -76.58 coo 32.73 32.94 54.42 29.29 32.83 50.35 -6.51 -34.23 -75.02 -8.20 -37.51 -74.40 ULMN 3 1eq2_c00 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 7 3 # 7 A 116 SER B 72 SER^? 1000.00 A 140 TYR B 110 TYR^? 1000.00 A 144 LYS B 69 LYS^? 1000.00 coo 34.67 35.79 48.83 33.57 37.88 49.47 -8.42 -32.26 -70.82 -9.72 -33.77 -72.18 coo 29.60 38.99 53.89 30.10 37.88 51.36 -6.38 -25.61 -74.23 -7.82 -25.83 -76.58 coo 32.73 32.94 54.42 29.29 32.83 50.35 -6.51 -34.23 -75.02 -8.20 -37.51 -74.40 ULMN 3 1eq2_c00 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 8 3 # 8 A 116 SER B 156 SER^? 1000.00 A 140 TYR B 130 TYR^? 1000.00 A 144 LYS B 131 LYS^? 1000.00 coo 34.67 35.79 48.83 33.57 37.88 49.47 16.99 -29.67 -64.07 16.46 -31.46 -62.50 coo 29.60 38.99 53.89 30.10 37.88 51.36 9.59 -27.76 -68.70 10.95 -25.45 -69.40 coo 32.73 32.94 54.42 29.29 32.83 50.35 10.88 -30.17 -64.72 8.95 -29.51 -59.71 1eq2_c00 source 1eq2 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMERASE : 8 hits 1eq2_c00 naa= 3 ULMN 3 1eq2_c01 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 1 3 # 1 B 116 SER A 16 SER.? 1000.00 B 140 TYR A 6 TYR^? 1000.00 B 144 LYS A 22 LYS~? 1000.00 coo 30.90 35.65 89.60 29.85 37.72 88.83 29.28 -18.48 -20.76 27.76 -20.30 -20.33 coo 24.43 38.83 86.53 27.07 38.03 86.12 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo 25.13 32.62 89.49 27.74 32.61 84.91 31.99 -23.27 -21.33 35.03 -27.43 -17.58 ULMN 3 1eq2_c01 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 2 3 # 2 B 116 SER A 67 SER^? 1000.00 B 140 TYR A 110 TYR^? 1000.00 B 144 LYS A 69 LYS^? 1000.00 coo 30.90 35.65 89.60 29.85 37.72 88.83 29.87 -9.30 -30.54 29.24 -8.38 -28.41 coo 24.43 38.83 86.53 27.07 38.03 86.12 25.37 -7.28 -35.31 26.28 -6.16 -32.97 coo 25.13 32.62 89.49 27.74 32.61 84.91 32.90 -11.51 -34.53 36.58 -11.70 -35.14 ULMN 3 1eq2_c01 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 3 3 # 3 B 116 SER A 72 SER^? 1000.00 B 140 TYR A 110 TYR^? 1000.00 B 144 LYS A 69 LYS^? 1000.00 coo 30.90 35.65 89.60 29.85 37.72 88.83 32.15 -8.85 -38.72 34.11 -8.52 -37.35 coo 24.43 38.83 86.53 27.07 38.03 86.12 25.37 -7.28 -35.31 26.28 -6.16 -32.97 coo 25.13 32.62 89.49 27.74 32.61 84.91 32.90 -11.51 -34.53 36.58 -11.70 -35.14 ULMN 3 1eq2_c01 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 4 3 # 4 B 116 SER B 16 SER^? 1000.00 B 140 TYR B 6 TYR^? 1000.00 B 144 LYS B 22 LYS^? 1000.00 coo 30.90 35.65 89.60 29.85 37.72 88.83 1.34 -34.60 -88.79 3.68 -34.16 -89.21 coo 24.43 38.83 86.53 27.07 38.03 86.12 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo 25.13 32.62 89.49 27.74 32.61 84.91 4.13 -39.33 -88.23 6.19 -44.05 -91.97 ULMN 3 1eq2_c01 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 5 3 # 5 B 116 SER B 67 SER^? 1000.00 B 140 TYR B 110 TYR^? 1000.00 B 144 LYS B 69 LYS^? 1000.00 coo 30.90 35.65 89.60 29.85 37.72 88.83 -6.90 -30.50 -78.99 -7.38 -29.51 -81.14 coo 24.43 38.83 86.53 27.07 38.03 86.12 -6.38 -25.61 -74.23 -7.82 -25.83 -76.58 coo 25.13 32.62 89.49 27.74 32.61 84.91 -6.51 -34.23 -75.02 -8.20 -37.51 -74.40 ULMN 3 1eq2_c01 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 6 3 # 6 B 116 SER B 72 SER^? 1000.00 B 140 TYR B 110 TYR^? 1000.00 B 144 LYS B 69 LYS^? 1000.00 coo 30.90 35.65 89.60 29.85 37.72 88.83 -8.42 -32.26 -70.82 -9.72 -33.77 -72.18 coo 24.43 38.83 86.53 27.07 38.03 86.12 -6.38 -25.61 -74.23 -7.82 -25.83 -76.58 coo 25.13 32.62 89.49 27.74 32.61 84.91 -6.51 -34.23 -75.02 -8.20 -37.51 -74.40 1eq2_c01 source 1eq2 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMERASE : 6 hits 1eq2_c01 naa= 3 ULMN 3 1eq2_c02 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 1 3 # 1 C 116 SER A 16 SER.? 1000.00 C 140 TYR A 6 TYR^? 1000.00 C 144 LYS A 22 LYS~? 1000.00 coo -8.96 33.70 98.81 -8.96 35.77 97.56 29.28 -18.48 -20.76 27.76 -20.30 -20.33 coo -8.28 37.01 91.79 -6.99 36.16 94.13 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo -10.48 30.66 93.19 -5.27 31.07 94.32 31.99 -23.27 -21.33 35.03 -27.43 -17.58 ULMN 3 1eq2_c02 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 2 3 # 2 C 116 SER A 67 SER^? 1000.00 C 140 TYR A 110 TYR^? 1000.00 C 144 LYS A 69 LYS^? 1000.00 coo -8.96 33.70 98.81 -8.96 35.77 97.56 29.87 -9.30 -30.54 29.24 -8.38 -28.41 coo -8.28 37.01 91.79 -6.99 36.16 94.13 25.37 -7.28 -35.31 26.28 -6.16 -32.97 coo -10.48 30.66 93.19 -5.27 31.07 94.32 32.90 -11.51 -34.53 36.58 -11.70 -35.14 ULMN 3 1eq2_c02 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 3 3 # 3 C 116 SER A 72 SER^? 1000.00 C 140 TYR A 110 TYR^? 1000.00 C 144 LYS A 69 LYS^? 1000.00 coo -8.96 33.70 98.81 -8.96 35.77 97.56 32.15 -8.85 -38.72 34.11 -8.52 -37.35 coo -8.28 37.01 91.79 -6.99 36.16 94.13 25.37 -7.28 -35.31 26.28 -6.16 -32.97 coo -10.48 30.66 93.19 -5.27 31.07 94.32 32.90 -11.51 -34.53 36.58 -11.70 -35.14 ULMN 3 1eq2_c02 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 4 3 # 4 C 116 SER B 16 SER^? 1000.00 C 140 TYR B 6 TYR^? 1000.00 C 144 LYS B 22 LYS^? 1000.00 coo -8.96 33.70 98.81 -8.96 35.77 97.56 1.34 -34.60 -88.79 3.68 -34.16 -89.21 coo -8.28 37.01 91.79 -6.99 36.16 94.13 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo -10.48 30.66 93.19 -5.27 31.07 94.32 4.13 -39.33 -88.23 6.19 -44.05 -91.97 ULMN 3 1eq2_c02 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 5 3 # 5 C 116 SER B 67 SER^? 1000.00 C 140 TYR B 110 TYR^? 1000.00 C 144 LYS B 69 LYS^? 1000.00 coo -8.96 33.70 98.81 -8.96 35.77 97.56 -6.90 -30.50 -78.99 -7.38 -29.51 -81.14 coo -8.28 37.01 91.79 -6.99 36.16 94.13 -6.38 -25.61 -74.23 -7.82 -25.83 -76.58 coo -10.48 30.66 93.19 -5.27 31.07 94.32 -6.51 -34.23 -75.02 -8.20 -37.51 -74.40 ULMN 3 1eq2_c02 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 6 3 # 6 C 116 SER B 72 SER^? 1000.00 C 140 TYR B 110 TYR^? 1000.00 C 144 LYS B 69 LYS^? 1000.00 coo -8.96 33.70 98.81 -8.96 35.77 97.56 -8.42 -32.26 -70.82 -9.72 -33.77 -72.18 coo -8.28 37.01 91.79 -6.99 36.16 94.13 -6.38 -25.61 -74.23 -7.82 -25.83 -76.58 coo -10.48 30.66 93.19 -5.27 31.07 94.32 -6.51 -34.23 -75.02 -8.20 -37.51 -74.40 1eq2_c02 source 1eq2 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMERASE : 6 hits 1eq2_c02 naa= 3 ULMN 3 1eq2_c03 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 1 3 # 1 D 116 SER A 16 SER.? 1000.00 D 140 TYR A 6 TYR^? 1000.00 D 144 LYS A 22 LYS~? 1000.00 coo -29.80 31.30 63.54 -28.79 33.52 63.37 29.28 -18.48 -20.76 27.76 -20.30 -20.33 coo -23.30 35.33 62.20 -25.10 34.24 64.06 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo -24.76 28.82 60.31 -24.27 29.01 65.58 31.99 -23.27 -21.33 35.03 -27.43 -17.58 ULMN 3 1eq2_c03 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 2 3 # 2 D 116 SER A 67 SER^? 1000.00 D 140 TYR A 110 TYR^? 1000.00 D 144 LYS A 69 LYS^? 1000.00 coo -29.80 31.30 63.54 -28.79 33.52 63.37 29.87 -9.30 -30.54 29.24 -8.38 -28.41 coo -23.30 35.33 62.20 -25.10 34.24 64.06 25.37 -7.28 -35.31 26.28 -6.16 -32.97 coo -24.76 28.82 60.31 -24.27 29.01 65.58 32.90 -11.51 -34.53 36.58 -11.70 -35.14 ULMN 3 1eq2_c03 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 3 3 # 3 D 116 SER A 72 SER^? 1000.00 D 140 TYR A 110 TYR^? 1000.00 D 144 LYS A 69 LYS^? 1000.00 coo -29.80 31.30 63.54 -28.79 33.52 63.37 32.15 -8.85 -38.72 34.11 -8.52 -37.35 coo -23.30 35.33 62.20 -25.10 34.24 64.06 25.37 -7.28 -35.31 26.28 -6.16 -32.97 coo -24.76 28.82 60.31 -24.27 29.01 65.58 32.90 -11.51 -34.53 36.58 -11.70 -35.14 ULMN 3 1eq2_c03 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 4 3 # 4 D 116 SER B 16 SER^? 1000.00 D 140 TYR B 6 TYR^? 1000.00 D 144 LYS B 22 LYS^? 1000.00 coo -29.80 31.30 63.54 -28.79 33.52 63.37 1.34 -34.60 -88.79 3.68 -34.16 -89.21 coo -23.30 35.33 62.20 -25.10 34.24 64.06 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo -24.76 28.82 60.31 -24.27 29.01 65.58 4.13 -39.33 -88.23 6.19 -44.05 -91.97 ULMN 3 1eq2_c03 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 5 3 # 5 D 116 SER B 67 SER^? 1000.00 D 140 TYR B 110 TYR^? 1000.00 D 144 LYS B 69 LYS^? 1000.00 coo -29.80 31.30 63.54 -28.79 33.52 63.37 -6.90 -30.50 -78.99 -7.38 -29.51 -81.14 coo -23.30 35.33 62.20 -25.10 34.24 64.06 -6.38 -25.61 -74.23 -7.82 -25.83 -76.58 coo -24.76 28.82 60.31 -24.27 29.01 65.58 -6.51 -34.23 -75.02 -8.20 -37.51 -74.40 ULMN 3 1eq2_c03 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 6 3 # 6 D 116 SER B 72 SER^? 1000.00 D 140 TYR B 110 TYR^? 1000.00 D 144 LYS B 69 LYS^? 1000.00 coo -29.80 31.30 63.54 -28.79 33.52 63.37 -8.42 -32.26 -70.82 -9.72 -33.77 -72.18 coo -23.30 35.33 62.20 -25.10 34.24 64.06 -6.38 -25.61 -74.23 -7.82 -25.83 -76.58 coo -24.76 28.82 60.31 -24.27 29.01 65.58 -6.51 -34.23 -75.02 -8.20 -37.51 -74.40 1eq2_c03 source 1eq2 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMERASE : 6 hits 1eq2_c03 naa= 3 ULMN 3 1eq2_c04 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 1 3 # 1 E 116 SER A 16 SER.? 1000.00 E 140 TYR A 6 TYR^? 1000.00 E 144 LYS A 22 LYS~? 1000.00 coo -3.01 32.72 32.71 -2.80 34.91 33.79 29.28 -18.48 -20.76 27.76 -20.30 -20.33 coo 0.04 36.70 38.68 -2.21 35.46 37.50 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo 1.93 30.52 36.31 -2.84 30.18 38.54 31.99 -23.27 -21.33 35.03 -27.43 -17.58 ULMN 3 1eq2_c04 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 2 3 # 2 E 116 SER A 67 SER^? 1000.00 E 140 TYR A 110 TYR^? 1000.00 E 144 LYS A 69 LYS^? 1000.00 coo -3.01 32.72 32.71 -2.80 34.91 33.79 29.87 -9.30 -30.54 29.24 -8.38 -28.41 coo 0.04 36.70 38.68 -2.21 35.46 37.50 25.37 -7.28 -35.31 26.28 -6.16 -32.97 coo 1.93 30.52 36.31 -2.84 30.18 38.54 32.90 -11.51 -34.53 36.58 -11.70 -35.14 ULMN 3 1eq2_c04 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 3 3 # 3 E 116 SER A 72 SER^? 1000.00 E 140 TYR A 110 TYR^? 1000.00 E 144 LYS A 69 LYS^? 1000.00 coo -3.01 32.72 32.71 -2.80 34.91 33.79 32.15 -8.85 -38.72 34.11 -8.52 -37.35 coo 0.04 36.70 38.68 -2.21 35.46 37.50 25.37 -7.28 -35.31 26.28 -6.16 -32.97 coo 1.93 30.52 36.31 -2.84 30.18 38.54 32.90 -11.51 -34.53 36.58 -11.70 -35.14 ULMN 3 1eq2_c04 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 4 3 # 4 E 116 SER B 16 SER^? 1000.00 E 140 TYR B 6 TYR^? 1000.00 E 144 LYS B 22 LYS^? 1000.00 coo -3.01 32.72 32.71 -2.80 34.91 33.79 1.34 -34.60 -88.79 3.68 -34.16 -89.21 coo 0.04 36.70 38.68 -2.21 35.46 37.50 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo 1.93 30.52 36.31 -2.84 30.18 38.54 4.13 -39.33 -88.23 6.19 -44.05 -91.97 ULMN 3 1eq2_c04 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 5 3 # 5 E 116 SER B 67 SER^? 1000.00 E 140 TYR B 110 TYR^? 1000.00 E 144 LYS B 69 LYS^? 1000.00 coo -3.01 32.72 32.71 -2.80 34.91 33.79 -6.90 -30.50 -78.99 -7.38 -29.51 -81.14 coo 0.04 36.70 38.68 -2.21 35.46 37.50 -6.38 -25.61 -74.23 -7.82 -25.83 -76.58 coo 1.93 30.52 36.31 -2.84 30.18 38.54 -6.51 -34.23 -75.02 -8.20 -37.51 -74.40 ULMN 3 1eq2_c04 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 6 3 # 6 E 116 SER B 72 SER^? 1000.00 E 140 TYR B 110 TYR^? 1000.00 E 144 LYS B 69 LYS^? 1000.00 coo -3.01 32.72 32.71 -2.80 34.91 33.79 -8.42 -32.26 -70.82 -9.72 -33.77 -72.18 coo 0.04 36.70 38.68 -2.21 35.46 37.50 -6.38 -25.61 -74.23 -7.82 -25.83 -76.58 coo 1.93 30.52 36.31 -2.84 30.18 38.54 -6.51 -34.23 -75.02 -8.20 -37.51 -74.40 1eq2_c04 source 1eq2 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMERASE : 6 hits 1eq2_c04 naa= 3 ULMN 3 1eq2_c05 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 1 3 # 1 F 116 SER A 16 SER.? 1000.00 F 140 TYR A 6 TYR^? 1000.00 F 144 LYS A 22 LYS~? 1000.00 coo 55.30 92.46 56.72 55.15 90.39 55.38 29.28 -18.48 -20.76 27.76 -20.30 -20.33 coo 54.49 89.31 49.65 53.35 90.16 52.06 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo 56.78 95.62 51.15 51.59 95.31 52.37 31.99 -23.27 -21.33 35.03 -27.43 -17.58 ULMN 3 1eq2_c05 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 2 3 # 2 F 116 SER A 67 SER^? 1000.00 F 140 TYR A 110 TYR^? 1000.00 F 144 LYS A 69 LYS^? 1000.00 coo 55.30 92.46 56.72 55.15 90.39 55.38 29.87 -9.30 -30.54 29.24 -8.38 -28.41 coo 54.49 89.31 49.65 53.35 90.16 52.06 25.37 -7.28 -35.31 26.28 -6.16 -32.97 coo 56.78 95.62 51.15 51.59 95.31 52.37 32.90 -11.51 -34.53 36.58 -11.70 -35.14 ULMN 3 1eq2_c05 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 3 3 # 3 F 116 SER A 72 SER^? 1000.00 F 140 TYR A 110 TYR^? 1000.00 F 144 LYS A 69 LYS^? 1000.00 coo 55.30 92.46 56.72 55.15 90.39 55.38 32.15 -8.85 -38.72 34.11 -8.52 -37.35 coo 54.49 89.31 49.65 53.35 90.16 52.06 25.37 -7.28 -35.31 26.28 -6.16 -32.97 coo 56.78 95.62 51.15 51.59 95.31 52.37 32.90 -11.51 -34.53 36.58 -11.70 -35.14 ULMN 3 1eq2_c05 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 4 3 # 4 F 116 SER B 16 SER^? 1000.00 F 140 TYR B 6 TYR^? 1000.00 F 144 LYS B 22 LYS^? 1000.00 coo 55.30 92.46 56.72 55.15 90.39 55.38 1.34 -34.60 -88.79 3.68 -34.16 -89.21 coo 54.49 89.31 49.65 53.35 90.16 52.06 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo 56.78 95.62 51.15 51.59 95.31 52.37 4.13 -39.33 -88.23 6.19 -44.05 -91.97 ULMN 3 1eq2_c05 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 5 3 # 5 F 116 SER B 67 SER^? 1000.00 F 140 TYR B 110 TYR^? 1000.00 F 144 LYS B 69 LYS^? 1000.00 coo 55.30 92.46 56.72 55.15 90.39 55.38 -6.90 -30.50 -78.99 -7.38 -29.51 -81.14 coo 54.49 89.31 49.65 53.35 90.16 52.06 -6.38 -25.61 -74.23 -7.82 -25.83 -76.58 coo 56.78 95.62 51.15 51.59 95.31 52.37 -6.51 -34.23 -75.02 -8.20 -37.51 -74.40 ULMN 3 1eq2_c05 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 6 3 # 6 F 116 SER B 72 SER^? 1000.00 F 140 TYR B 110 TYR^? 1000.00 F 144 LYS B 69 LYS^? 1000.00 coo 55.30 92.46 56.72 55.15 90.39 55.38 -8.42 -32.26 -70.82 -9.72 -33.77 -72.18 coo 54.49 89.31 49.65 53.35 90.16 52.06 -6.38 -25.61 -74.23 -7.82 -25.83 -76.58 coo 56.78 95.62 51.15 51.59 95.31 52.37 -6.51 -34.23 -75.02 -8.20 -37.51 -74.40 1eq2_c05 source 1eq2 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMERASE : 6 hits 1eq2_c05 naa= 3 ULMN 3 1eq2_c06 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 1 3 # 1 G 116 SER A 16 SER.? 1000.00 G 140 TYR A 6 TYR^? 1000.00 G 144 LYS A 22 LYS~? 1000.00 coo 76.25 95.63 21.56 75.29 93.40 21.36 29.28 -18.48 -20.76 27.76 -20.30 -20.33 coo 69.78 91.62 20.06 71.51 92.68 22.02 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo 71.19 98.21 18.32 70.69 97.75 23.67 31.99 -23.27 -21.33 35.03 -27.43 -17.58 ULMN 3 1eq2_c06 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 2 3 # 2 G 116 SER A 67 SER^? 1000.00 G 140 TYR A 110 TYR^? 1000.00 G 144 LYS A 69 LYS^? 1000.00 coo 76.25 95.63 21.56 75.29 93.40 21.36 29.87 -9.30 -30.54 29.24 -8.38 -28.41 coo 69.78 91.62 20.06 71.51 92.68 22.02 25.37 -7.28 -35.31 26.28 -6.16 -32.97 coo 71.19 98.21 18.32 70.69 97.75 23.67 32.90 -11.51 -34.53 36.58 -11.70 -35.14 ULMN 3 1eq2_c06 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 3 3 # 3 G 116 SER A 72 SER^? 1000.00 G 140 TYR A 110 TYR^? 1000.00 G 144 LYS A 69 LYS^? 1000.00 coo 76.25 95.63 21.56 75.29 93.40 21.36 32.15 -8.85 -38.72 34.11 -8.52 -37.35 coo 69.78 91.62 20.06 71.51 92.68 22.02 25.37 -7.28 -35.31 26.28 -6.16 -32.97 coo 71.19 98.21 18.32 70.69 97.75 23.67 32.90 -11.51 -34.53 36.58 -11.70 -35.14 ULMN 3 1eq2_c06 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 4 3 # 4 G 116 SER B 16 SER^? 1000.00 G 140 TYR B 6 TYR^? 1000.00 G 144 LYS B 22 LYS^? 1000.00 coo 76.25 95.63 21.56 75.29 93.40 21.36 1.34 -34.60 -88.79 3.68 -34.16 -89.21 coo 69.78 91.62 20.06 71.51 92.68 22.02 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo 71.19 98.21 18.32 70.69 97.75 23.67 4.13 -39.33 -88.23 6.19 -44.05 -91.97 ULMN 3 1eq2_c06 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 5 3 # 5 G 116 SER B 67 SER^? 1000.00 G 140 TYR B 110 TYR^? 1000.00 G 144 LYS B 69 LYS^? 1000.00 coo 76.25 95.63 21.56 75.29 93.40 21.36 -6.90 -30.50 -78.99 -7.38 -29.51 -81.14 coo 69.78 91.62 20.06 71.51 92.68 22.02 -6.38 -25.61 -74.23 -7.82 -25.83 -76.58 coo 71.19 98.21 18.32 70.69 97.75 23.67 -6.51 -34.23 -75.02 -8.20 -37.51 -74.40 ULMN 3 1eq2_c06 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 6 3 # 6 G 116 SER B 72 SER^? 1000.00 G 140 TYR B 110 TYR^? 1000.00 G 144 LYS B 69 LYS^? 1000.00 coo 76.25 95.63 21.56 75.29 93.40 21.36 -8.42 -32.26 -70.82 -9.72 -33.77 -72.18 coo 69.78 91.62 20.06 71.51 92.68 22.02 -6.38 -25.61 -74.23 -7.82 -25.83 -76.58 coo 71.19 98.21 18.32 70.69 97.75 23.67 -6.51 -34.23 -75.02 -8.20 -37.51 -74.40 1eq2_c06 source 1eq2 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMERASE : 6 hits 1eq2_c06 naa= 3 ULMN 3 1eq2_c07 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 1 3 # 1 H 116 SER A 16 SER.? 1000.00 H 140 TYR A 6 TYR^? 1000.00 H 144 LYS A 22 LYS~? 1000.00 coo 15.45 90.62 47.70 16.55 88.57 46.97 29.28 -18.48 -20.76 27.76 -20.30 -20.33 coo 21.92 87.58 44.67 19.30 88.41 44.23 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo 21.26 93.70 47.67 18.47 93.68 43.08 31.99 -23.27 -21.33 35.03 -27.43 -17.58 ULMN 3 1eq2_c07 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 2 3 # 2 H 116 SER A 67 SER^? 1000.00 H 140 TYR A 110 TYR^? 1000.00 H 144 LYS A 69 LYS^? 1000.00 coo 15.45 90.62 47.70 16.55 88.57 46.97 29.87 -9.30 -30.54 29.24 -8.38 -28.41 coo 21.92 87.58 44.67 19.30 88.41 44.23 25.37 -7.28 -35.31 26.28 -6.16 -32.97 coo 21.26 93.70 47.67 18.47 93.68 43.08 32.90 -11.51 -34.53 36.58 -11.70 -35.14 ULMN 3 1eq2_c07 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 3 3 # 3 H 116 SER A 72 SER^? 1000.00 H 140 TYR A 110 TYR^? 1000.00 H 144 LYS A 69 LYS^? 1000.00 coo 15.45 90.62 47.70 16.55 88.57 46.97 32.15 -8.85 -38.72 34.11 -8.52 -37.35 coo 21.92 87.58 44.67 19.30 88.41 44.23 25.37 -7.28 -35.31 26.28 -6.16 -32.97 coo 21.26 93.70 47.67 18.47 93.68 43.08 32.90 -11.51 -34.53 36.58 -11.70 -35.14 ULMN 3 1eq2_c07 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 4 3 # 4 H 116 SER B 16 SER^? 1000.00 H 140 TYR B 6 TYR^? 1000.00 H 144 LYS B 22 LYS^? 1000.00 coo 15.45 90.62 47.70 16.55 88.57 46.97 1.34 -34.60 -88.79 3.68 -34.16 -89.21 coo 21.92 87.58 44.67 19.30 88.41 44.23 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo 21.26 93.70 47.67 18.47 93.68 43.08 4.13 -39.33 -88.23 6.19 -44.05 -91.97 ULMN 3 1eq2_c07 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 5 3 # 5 H 116 SER B 67 SER^? 1000.00 H 140 TYR B 110 TYR^? 1000.00 H 144 LYS B 69 LYS^? 1000.00 coo 15.45 90.62 47.70 16.55 88.57 46.97 -6.90 -30.50 -78.99 -7.38 -29.51 -81.14 coo 21.92 87.58 44.67 19.30 88.41 44.23 -6.38 -25.61 -74.23 -7.82 -25.83 -76.58 coo 21.26 93.70 47.67 18.47 93.68 43.08 -6.51 -34.23 -75.02 -8.20 -37.51 -74.40 ULMN 3 1eq2_c07 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 6 3 # 6 H 116 SER B 72 SER^? 1000.00 H 140 TYR B 110 TYR^? 1000.00 H 144 LYS B 69 LYS^? 1000.00 coo 15.45 90.62 47.70 16.55 88.57 46.97 -8.42 -32.26 -70.82 -9.72 -33.77 -72.18 coo 21.92 87.58 44.67 19.30 88.41 44.23 -6.38 -25.61 -74.23 -7.82 -25.83 -76.58 coo 21.26 93.70 47.67 18.47 93.68 43.08 -6.51 -34.23 -75.02 -8.20 -37.51 -74.40 1eq2_c07 source 1eq2 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMERASE : 6 hits 1eq2_c07 naa= 3 ULMN 3 1eq2_c08 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 1 3 # 1 I 116 SER A 16 SER.? 1000.00 I 140 TYR A 6 TYR^? 1000.00 I 144 LYS A 22 LYS~? 1000.00 coo 11.78 90.82 7.18 12.84 88.72 7.93 29.28 -18.48 -20.76 27.76 -20.30 -20.33 coo 16.78 87.76 12.19 16.39 88.69 9.59 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo 13.67 93.83 12.65 17.08 93.94 8.58 31.99 -23.27 -21.33 35.03 -27.43 -17.58 ULMN 3 1eq2_c08 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 2 3 # 2 I 116 SER A 67 SER^? 1000.00 I 140 TYR A 110 TYR^? 1000.00 I 144 LYS A 69 LYS^? 1000.00 coo 11.78 90.82 7.18 12.84 88.72 7.93 29.87 -9.30 -30.54 29.24 -8.38 -28.41 coo 16.78 87.76 12.19 16.39 88.69 9.59 25.37 -7.28 -35.31 26.28 -6.16 -32.97 coo 13.67 93.83 12.65 17.08 93.94 8.58 32.90 -11.51 -34.53 36.58 -11.70 -35.14 ULMN 3 1eq2_c08 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 3 3 # 3 I 116 SER A 72 SER^? 1000.00 I 140 TYR A 110 TYR^? 1000.00 I 144 LYS A 69 LYS^? 1000.00 coo 11.78 90.82 7.18 12.84 88.72 7.93 32.15 -8.85 -38.72 34.11 -8.52 -37.35 coo 16.78 87.76 12.19 16.39 88.69 9.59 25.37 -7.28 -35.31 26.28 -6.16 -32.97 coo 13.67 93.83 12.65 17.08 93.94 8.58 32.90 -11.51 -34.53 36.58 -11.70 -35.14 ULMN 3 1eq2_c08 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 4 3 # 4 I 116 SER A 156 SER^? 1000.00 I 140 TYR A 130 TYR^? 1000.00 I 144 LYS A 131 LYS^? 1000.00 coo 11.78 90.82 7.18 12.84 88.72 7.93 17.18 -29.56 -45.49 18.99 -29.97 -47.06 coo 16.78 87.76 12.19 16.39 88.69 9.59 19.24 -22.19 -40.85 16.56 -22.21 -40.14 coo 13.67 93.83 12.65 17.08 93.94 8.58 20.68 -24.51 -44.83 21.09 -22.52 -49.85 ULMN 3 1eq2_c08 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 5 3 # 5 I 116 SER B 16 SER^? 1000.00 I 140 TYR B 6 TYR^? 1000.00 I 144 LYS B 22 LYS^? 1000.00 coo 11.78 90.82 7.18 12.84 88.72 7.93 1.34 -34.60 -88.79 3.68 -34.16 -89.21 coo 16.78 87.76 12.19 16.39 88.69 9.59 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo 13.67 93.83 12.65 17.08 93.94 8.58 4.13 -39.33 -88.23 6.19 -44.05 -91.97 ULMN 3 1eq2_c08 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 6 3 # 6 I 116 SER B 67 SER^? 1000.00 I 140 TYR B 110 TYR^? 1000.00 I 144 LYS B 69 LYS^? 1000.00 coo 11.78 90.82 7.18 12.84 88.72 7.93 -6.90 -30.50 -78.99 -7.38 -29.51 -81.14 coo 16.78 87.76 12.19 16.39 88.69 9.59 -6.38 -25.61 -74.23 -7.82 -25.83 -76.58 coo 13.67 93.83 12.65 17.08 93.94 8.58 -6.51 -34.23 -75.02 -8.20 -37.51 -74.40 ULMN 3 1eq2_c08 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 7 3 # 7 I 116 SER B 72 SER^? 1000.00 I 140 TYR B 110 TYR^? 1000.00 I 144 LYS B 69 LYS^? 1000.00 coo 11.78 90.82 7.18 12.84 88.72 7.93 -8.42 -32.26 -70.82 -9.72 -33.77 -72.18 coo 16.78 87.76 12.19 16.39 88.69 9.59 -6.38 -25.61 -74.23 -7.82 -25.83 -76.58 coo 13.67 93.83 12.65 17.08 93.94 8.58 -6.51 -34.23 -75.02 -8.20 -37.51 -74.40 ULMN 3 1eq2_c08 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 8 3 # 8 I 116 SER B 156 SER^? 1000.00 I 140 TYR B 130 TYR^? 1000.00 I 144 LYS B 131 LYS^? 1000.00 coo 11.78 90.82 7.18 12.84 88.72 7.93 16.99 -29.67 -64.07 16.46 -31.46 -62.50 coo 16.78 87.76 12.19 16.39 88.69 9.59 9.59 -27.76 -68.70 10.95 -25.45 -69.40 coo 13.67 93.83 12.65 17.08 93.94 8.58 10.88 -30.17 -64.72 8.95 -29.51 -59.71 1eq2_c08 source 1eq2 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMERASE : 8 hits 1eq2_c08 naa= 3 ULMN 3 1eq2_c09 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 1 3 # 1 J 116 SER A 16 SER.? 1000.00 J 140 TYR A 6 TYR^? 1000.00 J 144 LYS A 22 LYS~? 1000.00 coo 49.46 93.97 -9.19 49.31 91.82 -8.04 29.28 -18.48 -20.76 27.76 -20.30 -20.33 coo 46.51 90.06 -3.08 48.69 91.36 -4.30 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo 44.49 96.17 -5.53 49.37 96.61 -3.37 31.99 -23.27 -21.33 35.03 -27.43 -17.58 ULMN 3 1eq2_c09 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 2 3 # 2 J 116 SER A 67 SER^? 1000.00 J 140 TYR A 110 TYR^? 1000.00 J 144 LYS A 69 LYS^? 1000.00 coo 49.46 93.97 -9.19 49.31 91.82 -8.04 29.87 -9.30 -30.54 29.24 -8.38 -28.41 coo 46.51 90.06 -3.08 48.69 91.36 -4.30 25.37 -7.28 -35.31 26.28 -6.16 -32.97 coo 44.49 96.17 -5.53 49.37 96.61 -3.37 32.90 -11.51 -34.53 36.58 -11.70 -35.14 ULMN 3 1eq2_c09 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 3 3 # 3 J 116 SER A 72 SER^? 1000.00 J 140 TYR A 110 TYR^? 1000.00 J 144 LYS A 69 LYS^? 1000.00 coo 49.46 93.97 -9.19 49.31 91.82 -8.04 32.15 -8.85 -38.72 34.11 -8.52 -37.35 coo 46.51 90.06 -3.08 48.69 91.36 -4.30 25.37 -7.28 -35.31 26.28 -6.16 -32.97 coo 44.49 96.17 -5.53 49.37 96.61 -3.37 32.90 -11.51 -34.53 36.58 -11.70 -35.14 ULMN 3 1eq2_c09 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 4 3 # 4 J 116 SER B 16 SER^? 1000.00 J 140 TYR B 6 TYR^? 1000.00 J 144 LYS B 22 LYS^? 1000.00 coo 49.46 93.97 -9.19 49.31 91.82 -8.04 1.34 -34.60 -88.79 3.68 -34.16 -89.21 coo 46.51 90.06 -3.08 48.69 91.36 -4.30 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo 44.49 96.17 -5.53 49.37 96.61 -3.37 4.13 -39.33 -88.23 6.19 -44.05 -91.97 ULMN 3 1eq2_c09 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 5 3 # 5 J 116 SER B 67 SER^? 1000.00 J 140 TYR B 110 TYR^? 1000.00 J 144 LYS B 69 LYS^? 1000.00 coo 49.46 93.97 -9.19 49.31 91.82 -8.04 -6.90 -30.50 -78.99 -7.38 -29.51 -81.14 coo 46.51 90.06 -3.08 48.69 91.36 -4.30 -6.38 -25.61 -74.23 -7.82 -25.83 -76.58 coo 44.49 96.17 -5.53 49.37 96.61 -3.37 -6.51 -34.23 -75.02 -8.20 -37.51 -74.40 ULMN 3 1eq2_c09 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMEuser 6 3 # 6 J 116 SER B 72 SER^? 1000.00 J 140 TYR B 110 TYR^? 1000.00 J 144 LYS B 69 LYS^? 1000.00 coo 49.46 93.97 -9.19 49.31 91.82 -8.04 -8.42 -32.26 -70.82 -9.72 -33.77 -72.18 coo 46.51 90.06 -3.08 48.69 91.36 -4.30 -6.38 -25.61 -74.23 -7.82 -25.83 -76.58 coo 44.49 96.17 -5.53 49.37 96.61 -3.37 -6.51 -34.23 -75.02 -8.20 -37.51 -74.40 1eq2_c09 source 1eq2 ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMERASE : 6 hits 1eq2_c09 naa= 3 ULMN 3 1et0_c00 4-AMINO-4-DEOXYCHORISMATE LYASE user 1 3 # 1 A 159 LYS A 101 LYS^? 1000.00 A 193 GLU A 132 GLU^? 1000.00 A 217 VAL A 133 VAL^? 1000.00 coo 2.10 10.68 61.44 -2.14 13.16 60.61 21.27 -27.97 -34.76 23.33 -33.29 -31.87 coo -5.33 11.71 69.72 -4.62 11.92 67.73 20.64 -28.88 -44.45 21.91 -30.49 -44.99 coo 0.07 12.29 66.53 -0.24 11.95 64.38 18.58 -28.09 -38.99 16.97 -26.89 -38.21 ULMN 3 1et0_c00 4-AMINO-4-DEOXYCHORISMATE LYASE user 2 3 # 2 A 159 LYS B 101 LYS^? 1000.00 A 193 GLU B 132 GLU^? 1000.00 A 217 VAL B 133 VAL^? 1000.00 coo 2.10 10.68 61.44 -2.14 13.16 60.61 13.59 -32.41 -74.79 17.17 -36.84 -77.71 coo -5.33 11.71 69.72 -4.62 11.92 67.73 14.68 -32.32 -65.10 15.44 -34.22 -64.57 coo 0.07 12.29 66.53 -0.24 11.95 64.38 15.02 -30.13 -70.56 14.80 -28.15 -71.35 1et0_c00 source 1et0 4-AMINO-4-DEOXYCHORISMATE LYASE : 2 hits 1et0_c00 naa= 3 ULMN 3 1et0_c02 4-AMINO-4-DEOXYCHORISMATE LYASE user 1 3 # 1 A 38 THR A 5 THR^? 1000.00 A 159 LYS A 8 LYS^? 1000.00 A 193 GLU A 15 GLU.? 1000.00 coo -2.58 16.31 54.79 -4.02 14.93 55.64 19.47 -20.80 -23.49 17.87 -20.32 -24.84 coo 2.10 10.68 61.44 -2.14 13.16 60.61 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo -5.33 11.71 69.72 -4.62 11.92 67.73 31.83 -13.52 -21.46 31.81 -11.49 -22.03 ULMN 3 1et0_c02 4-AMINO-4-DEOXYCHORISMATE LYASE user 2 3 # 2 A 38 THR A 5 THR^? 1000.00 A 159 LYS A 61 LYS^? 1000.00 A 193 GLU A 15 GLU.? 1000.00 coo -2.58 16.31 54.79 -4.02 14.93 55.64 19.47 -20.80 -23.49 17.87 -20.32 -24.84 coo 2.10 10.68 61.44 -2.14 13.16 60.61 21.64 -11.48 -26.11 26.63 -11.26 -28.52 coo -5.33 11.71 69.72 -4.62 11.92 67.73 31.83 -13.52 -21.46 31.81 -11.49 -22.03 ULMN 3 1et0_c02 4-AMINO-4-DEOXYCHORISMATE LYASE user 3 3 # 3 A 38 THR B 5 THR^? 1000.00 A 159 LYS B 8 LYS^? 1000.00 A 193 GLU B 15 GLU^? 1000.00 coo -2.58 16.31 54.79 -4.02 14.93 55.64 8.27 -27.26 -86.05 8.66 -25.65 -84.68 coo 2.10 10.68 61.44 -2.14 13.16 60.61 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo -5.33 11.71 69.72 -4.62 11.92 67.73 -4.24 -34.31 -88.08 -5.97 -33.27 -87.50 ULMN 3 1et0_c02 4-AMINO-4-DEOXYCHORISMATE LYASE user 4 3 # 4 A 38 THR B 5 THR^? 1000.00 A 159 LYS B 61 LYS^? 1000.00 A 193 GLU B 15 GLU^? 1000.00 coo -2.58 16.31 54.79 -4.02 14.93 55.64 8.27 -27.26 -86.05 8.66 -25.65 -84.68 coo 2.10 10.68 61.44 -2.14 13.16 60.61 -0.89 -24.47 -83.43 -3.57 -28.69 -81.00 coo -5.33 11.71 69.72 -4.62 11.92 67.73 -4.24 -34.31 -88.08 -5.97 -33.27 -87.50 1et0_c02 source 1et0 4-AMINO-4-DEOXYCHORISMATE LYASE : 4 hits 1et0_c02 naa= 3 ULMN 3 1euu_c00 SIALIDASE user 1 3 # 1 92 ASP A 19 ASP~? 1000.00 260 GLU A 26 GLU^? 1000.00 370 TYR A 6 TYR^? 1000.00 coo 8.60 -17.93 28.38 7.67 -19.04 26.88 29.74 -27.57 -15.65 30.35 -27.04 -13.70 coo 0.12 -12.06 25.14 1.33 -13.03 23.72 25.58 -17.25 -21.04 25.74 -16.50 -19.06 coo 4.66 -12.77 19.52 3.70 -14.16 21.71 23.82 -22.13 -22.62 23.54 -22.15 -19.84 ULMN 3 1euu_c00 SIALIDASE user 2 3 # 2 92 ASP A 19 ASP~? 1000.00 260 GLU A 86 GLU^? 1000.00 370 TYR A 6 TYR^? 1000.00 coo 8.60 -17.93 28.38 7.67 -19.04 26.88 29.74 -27.57 -15.65 30.35 -27.04 -13.70 coo 0.12 -12.06 25.14 1.33 -13.03 23.72 21.78 -27.43 -25.47 23.65 -28.43 -25.48 coo 4.66 -12.77 19.52 3.70 -14.16 21.71 23.82 -22.13 -22.62 23.54 -22.15 -19.84 ULMN 3 1euu_c00 SIALIDASE user 3 3 # 3 92 ASP A 127 ASP^? 1000.00 260 GLU A 124 GLU^? 1000.00 370 TYR A 110 TYR^? 1000.00 coo 8.60 -17.93 28.38 7.67 -19.04 26.88 18.62 -12.41 -38.39 16.82 -11.65 -37.54 coo 0.12 -12.06 25.14 1.33 -13.03 23.72 24.17 -8.38 -29.24 26.07 -8.88 -30.07 coo 4.66 -12.77 19.52 3.70 -14.16 21.71 25.37 -7.28 -35.31 26.28 -6.16 -32.97 ULMN 3 1euu_c00 SIALIDASE user 4 3 # 4 92 ASP B 19 ASP^? 1000.00 260 GLU B 26 GLU^? 1000.00 370 TYR B 6 TYR^? 1000.00 coo 8.60 -17.93 28.38 7.67 -19.04 26.88 8.97 -39.53 -93.90 8.21 -39.80 -95.86 coo 0.12 -12.06 25.14 1.33 -13.03 23.72 2.14 -30.76 -88.51 1.40 -30.52 -90.48 coo 4.66 -12.77 19.52 3.70 -14.16 21.71 7.23 -31.69 -86.93 7.39 -31.46 -89.70 ULMN 3 1euu_c00 SIALIDASE user 5 3 # 5 92 ASP B 19 ASP^? 1000.00 260 GLU B 86 GLU^? 1000.00 370 TYR B 6 TYR^? 1000.00 coo 8.60 -17.93 28.38 7.67 -19.04 26.88 8.97 -39.53 -93.90 8.21 -39.80 -95.86 coo 0.12 -12.06 25.14 1.33 -13.03 23.72 12.86 -32.58 -84.08 12.77 -34.69 -84.08 coo 4.66 -12.77 19.52 3.70 -14.16 21.71 7.23 -31.69 -86.93 7.39 -31.46 -89.70 ULMN 3 1euu_c00 SIALIDASE user 6 3 # 6 92 ASP B 127 ASP^? 1000.00 260 GLU B 124 GLU^? 1000.00 370 TYR B 110 TYR^? 1000.00 coo 8.60 -17.93 28.38 7.67 -19.04 26.88 1.44 -22.32 -71.15 1.70 -20.39 -72.00 coo 0.12 -12.06 25.14 1.33 -13.03 23.72 -4.84 -25.10 -80.31 -5.35 -27.01 -79.49 coo 4.66 -12.77 19.52 3.70 -14.16 21.71 -6.38 -25.61 -74.23 -7.82 -25.83 -76.58 1euu_c00 source 1euu SIALIDASE : 6 hits 1euu_c00 naa= 3 ULMN 3 1eyi_c00 FRUCTOSE-1,6-BISPHOSPHATASE user 1 3 # 1 A 68 ASP A 13 ASP.? 1000.00 A 74 ASP A 64 ASP^? 1000.00 A 98 GLU A 15 GLU.? 1000.00 coo 17.19 9.05 25.28 15.77 9.98 26.53 35.39 -17.87 -27.45 36.78 -19.31 -28.08 coo 15.99 8.54 17.36 14.96 7.80 19.05 29.43 -11.47 -24.77 28.22 -12.20 -26.29 coo 16.31 12.85 18.11 16.71 11.79 19.90 31.83 -13.52 -21.46 31.81 -11.49 -22.03 ULMN 3 1eyi_c00 FRUCTOSE-1,6-BISPHOSPHATASE user 2 3 # 2 A 68 ASP B 13 ASP^? 1000.00 A 74 ASP B 64 ASP^? 1000.00 A 98 GLU B 15 GLU^? 1000.00 coo 17.19 9.05 25.28 15.77 9.98 26.53 -2.24 -39.57 -82.10 -1.69 -41.51 -81.47 coo 15.99 8.54 17.36 14.96 7.80 19.05 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 coo 16.31 12.85 18.11 16.71 11.79 19.90 -4.24 -34.31 -88.08 -5.97 -33.27 -87.50 1eyi_c00 source 1eyi FRUCTOSE-1,6-BISPHOSPHATASE : 2 hits 1eyi_c00 naa= 3 ULMN 3 1f6d_c02 UDP-N-ACETYLGLUCOSAMINE 2-EPIMERASE user 1 3 # 1 C 95 ASP A 64 ASP^? 1000.00 C 117 GLU A 124 GLU^? 1000.00 C 131 GLU A 15 GLU.? 1000.00 coo 68.01 56.37 72.57 68.42 56.10 70.51 29.43 -11.47 -24.77 28.22 -12.20 -26.29 coo 66.59 62.50 67.44 67.57 60.64 67.12 24.17 -8.38 -29.24 26.07 -8.88 -30.07 coo 69.24 52.27 71.96 69.91 50.26 71.89 31.83 -13.52 -21.46 31.81 -11.49 -22.03 ULMN 3 1f6d_c02 UDP-N-ACETYLGLUCOSAMINE 2-EPIMERASE user 2 3 # 2 C 95 ASP B 64 ASP^? 1000.00 C 117 GLU B 124 GLU^? 1000.00 C 131 GLU B 15 GLU^? 1000.00 coo 68.01 56.37 72.57 68.42 56.10 70.51 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 coo 66.59 62.50 67.44 67.57 60.64 67.12 -4.84 -25.10 -80.31 -5.35 -27.01 -79.49 coo 69.24 52.27 71.96 69.91 50.26 71.89 -4.24 -34.31 -88.08 -5.97 -33.27 -87.50 1f6d_c02 source 1f6d UDP-N-ACETYLGLUCOSAMINE 2-EPIMERASE : 2 hits 1f6d_c02 naa= 3 ULMN 3 1f80_c03 ACYL CARRIER PROTEIN user 1 3 # 1 A 105 HIS A 21 HIS~? 1000.00 C 62 LYS A 61 LYS^? 1000.00 F 35 ASP A 4 ASP^? 1000.00 coo 15.40 22.79 16.66 13.93 24.10 15.98 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo 19.95 18.98 4.81 18.82 20.94 10.49 21.64 -11.48 -26.11 26.63 -11.26 -28.52 coo 16.32 15.30 17.19 17.71 14.73 18.69 19.46 -21.33 -18.77 18.88 -20.63 -16.86 ULMN 3 1f80_c03 ACYL CARRIER PROTEIN user 2 3 # 2 A 105 HIS B 21 HIS^? 1000.00 C 62 LYS B 61 LYS^? 1000.00 F 35 ASP B 4 ASP^? 1000.00 coo 15.40 22.79 16.66 13.93 24.10 15.98 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo 19.95 18.98 4.81 18.82 20.94 10.49 -0.89 -24.47 -83.43 -3.57 -28.69 -81.00 coo 16.32 15.30 17.19 17.71 14.73 18.69 8.72 -27.52 -90.78 8.40 -26.67 -92.69 1f80_c03 source 1f80 ACYL CARRIER PROTEIN : 2 hits 1f80_c03 naa= 3 ULMN 3 1f80_c04 ACYL CARRIER PROTEIN user 1 3 # 1 B 62 LYS A 61 LYS^? 1000.00 C 105 HIS A 21 HIS~? 1000.00 D 35 ASP A 4 ASP^? 1000.00 coo 38.76 28.25 7.87 36.33 26.41 13.58 21.64 -11.48 -26.11 26.63 -11.26 -28.52 coo 34.93 19.72 17.37 34.72 18.17 15.98 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo 41.01 23.02 20.83 40.65 24.26 22.55 19.46 -21.33 -18.77 18.88 -20.63 -16.86 ULMN 3 1f80_c04 ACYL CARRIER PROTEIN user 2 3 # 2 B 62 LYS A 61 LYS^? 1000.00 C 105 HIS A 21 HIS~? 1000.00 D 35 ASP A 18 ASP~? 1000.00 coo 38.76 28.25 7.87 36.33 26.41 13.58 21.64 -11.48 -26.11 26.63 -11.26 -28.52 coo 34.93 19.72 17.37 34.72 18.17 15.98 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo 41.01 23.02 20.83 40.65 24.26 22.55 26.87 -23.27 -16.72 26.31 -23.96 -18.62 ULMN 3 1f80_c04 ACYL CARRIER PROTEIN user 3 3 # 3 B 62 LYS B 61 LYS^? 1000.00 C 105 HIS B 21 HIS^? 1000.00 D 35 ASP B 4 ASP^? 1000.00 coo 38.76 28.25 7.87 36.33 26.41 13.58 -0.89 -24.47 -83.43 -3.57 -28.69 -81.00 coo 34.93 19.72 17.37 34.72 18.17 15.98 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo 41.01 23.02 20.83 40.65 24.26 22.55 8.72 -27.52 -90.78 8.40 -26.67 -92.69 ULMN 3 1f80_c04 ACYL CARRIER PROTEIN user 4 3 # 4 B 62 LYS B 61 LYS^? 1000.00 C 105 HIS B 21 HIS^? 1000.00 D 35 ASP B 18 ASP^? 1000.00 coo 38.76 28.25 7.87 36.33 26.41 13.58 -0.89 -24.47 -83.43 -3.57 -28.69 -81.00 coo 34.93 19.72 17.37 34.72 18.17 15.98 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo 41.01 23.02 20.83 40.65 24.26 22.55 6.68 -34.89 -92.82 7.57 -34.75 -90.92 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 61 LYS^? 1000.00 B 105 HIS A 21 HIS~? 1000.00 E 35 ASP A 4 ASP^? 1000.00 coo 20.51 39.76 8.83 21.23 37.38 14.18 21.64 -11.48 -26.11 26.63 -11.26 -28.52 coo 27.18 37.56 20.68 29.07 38.28 20.13 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo 19.97 40.39 22.03 18.53 39.30 23.18 19.46 -21.33 -18.77 18.88 -20.63 -16.86 ULMN 3 1f80_c05 ACYL CARRIER PROTEIN user 2 3 # 2 A 62 LYS B 61 LYS^? 1000.00 B 105 HIS B 21 HIS^? 1000.00 E 35 ASP B 4 ASP^? 1000.00 coo 20.51 39.76 8.83 21.23 37.38 14.18 -0.89 -24.47 -83.43 -3.57 -28.69 -81.00 coo 27.18 37.56 20.68 29.07 38.28 20.13 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo 19.97 40.39 22.03 18.53 39.30 23.18 8.72 -27.52 -90.78 8.40 -26.67 -92.69 1f80_c05 source 1f80 ACYL CARRIER PROTEIN : 2 hits 1f80_c05 naa= 3 ULMN 3 1fc4_c02 2-AMINO-3-KETOBUTYRATE CONENZYME A Luser 1 3 # 1 A 112 PHE A 30 PHE.? 1000.00 A 210 ASP A 4 ASP^? 1000.00 A 244 LYS A 8 LYS^? 1000.00 coo 9.23 46.77 25.11 11.48 48.39 24.76 14.78 -19.77 -29.14 12.90 -21.41 -27.95 coo 10.51 37.86 19.71 9.07 39.38 20.04 19.46 -21.33 -18.77 18.88 -20.63 -16.86 coo -1.20 42.34 17.67 3.19 45.13 19.06 27.50 -22.43 -30.09 31.82 -26.84 -29.34 ULMN 3 1fc4_c02 2-AMINO-3-KETOBUTYRATE CONENZYME A Luser 2 3 # 2 A 112 PHE A 128 PHE^? 1000.00 A 210 ASP A 10 ASP.? 1000.00 A 244 LYS A 69 LYS^? 1000.00 coo 9.23 46.77 25.11 11.48 48.39 24.76 22.32 -16.99 -36.28 24.17 -16.12 -34.42 coo 10.51 37.86 19.71 9.07 39.38 20.04 32.49 -23.60 -36.06 31.26 -25.30 -35.99 coo -1.20 42.34 17.67 3.19 45.13 19.06 32.90 -11.51 -34.53 36.58 -11.70 -35.14 ULMN 3 1fc4_c02 2-AMINO-3-KETOBUTYRATE CONENZYME A Luser 3 3 # 3 A 112 PHE B 30 PHE^? 1000.00 A 210 ASP B 4 ASP^? 1000.00 A 244 LYS B 8 LYS^? 1000.00 coo 9.23 46.77 25.11 11.48 48.39 24.76 9.71 -22.69 -80.41 12.09 -21.91 -81.59 coo 10.51 37.86 19.71 9.07 39.38 20.04 8.72 -27.52 -90.78 8.40 -26.67 -92.69 coo -1.20 42.34 17.67 3.19 45.13 19.06 5.64 -35.04 -79.46 7.30 -40.97 -80.23 ULMN 3 1fc4_c02 2-AMINO-3-KETOBUTYRATE CONENZYME A Luser 4 3 # 4 A 112 PHE B 128 PHE^? 1000.00 A 210 ASP B 10 ASP^? 1000.00 A 244 LYS B 69 LYS^? 1000.00 coo 9.23 46.77 25.11 11.48 48.39 24.76 3.54 -27.82 -73.26 1.86 -28.99 -75.12 coo 10.51 37.86 19.71 9.07 39.38 20.04 4.17 -39.92 -73.48 6.27 -39.73 -73.56 coo -1.20 42.34 17.67 3.19 45.13 19.06 -6.51 -34.23 -75.02 -8.20 -37.51 -74.40 1fc4_c02 source 1fc4 2-AMINO-3-KETOBUTYRATE CONENZYME A LIGASE : 4 hits 1fc4_c02 naa= 3 ULMN 3 1fc4_c03 2-AMINO-3-KETOBUTYRATE CONENZYME A Luser 1 3 # 1 B 112 PHE A 30 PHE.? 1000.00 B 210 ASP A 4 ASP^? 1000.00 B 244 LYS A 8 LYS^? 1000.00 coo 8.76 47.85 34.91 11.08 46.36 35.41 14.78 -19.77 -29.14 12.90 -21.41 -27.95 coo 9.06 56.85 40.30 7.71 55.27 39.90 19.46 -21.33 -18.77 18.88 -20.63 -16.86 coo -2.38 51.82 41.62 2.07 49.19 40.42 27.50 -22.43 -30.09 31.82 -26.84 -29.34 ULMN 3 1fc4_c03 2-AMINO-3-KETOBUTYRATE CONENZYME A Luser 2 3 # 2 B 112 PHE A 128 PHE^? 1000.00 B 210 ASP A 10 ASP.? 1000.00 B 244 LYS A 69 LYS^? 1000.00 coo 8.76 47.85 34.91 11.08 46.36 35.41 22.32 -16.99 -36.28 24.17 -16.12 -34.42 coo 9.06 56.85 40.30 7.71 55.27 39.90 32.49 -23.60 -36.06 31.26 -25.30 -35.99 coo -2.38 51.82 41.62 2.07 49.19 40.42 32.90 -11.51 -34.53 36.58 -11.70 -35.14 ULMN 3 1fc4_c03 2-AMINO-3-KETOBUTYRATE CONENZYME A Luser 3 3 # 3 B 112 PHE B 30 PHE^? 1000.00 B 210 ASP B 4 ASP^? 1000.00 B 244 LYS B 8 LYS^? 1000.00 coo 8.76 47.85 34.91 11.08 46.36 35.41 9.71 -22.69 -80.41 12.09 -21.91 -81.59 coo 9.06 56.85 40.30 7.71 55.27 39.90 8.72 -27.52 -90.78 8.40 -26.67 -92.69 coo -2.38 51.82 41.62 2.07 49.19 40.42 5.64 -35.04 -79.46 7.30 -40.97 -80.23 ULMN 3 1fc4_c03 2-AMINO-3-KETOBUTYRATE CONENZYME A Luser 4 3 # 4 B 112 PHE B 128 PHE^? 1000.00 B 210 ASP B 10 ASP^? 1000.00 B 244 LYS B 69 LYS^? 1000.00 coo 8.76 47.85 34.91 11.08 46.36 35.41 3.54 -27.82 -73.26 1.86 -28.99 -75.12 coo 9.06 56.85 40.30 7.71 55.27 39.90 4.17 -39.92 -73.48 6.27 -39.73 -73.56 coo -2.38 51.82 41.62 2.07 49.19 40.42 -6.51 -34.23 -75.02 -8.20 -37.51 -74.40 1fc4_c03 source 1fc4 2-AMINO-3-KETOBUTYRATE CONENZYME A LIGASE : 4 hits 1fc4_c03 naa= 3 ULMN 3 1fdy_c00 N-ACETYLNEURAMINATE LYASE user 1 3 # 1 A 137 TYR A 130 TYR^? 1000.00 A 142 LEU A 85 LEU^? 1000.00 A 165 LYS A 131 LYS^? 1000.00 coo -38.10 -88.84 -25.29 -37.86 -86.12 -24.64 19.24 -22.19 -40.85 16.56 -22.21 -40.14 coo -32.09 -82.74 -22.70 -32.91 -80.79 -22.33 19.89 -23.42 -30.59 18.52 -22.06 -29.57 coo -39.97 -88.99 -30.53 -40.75 -85.40 -25.70 20.68 -24.51 -44.83 21.09 -22.52 -49.85 ULMN 3 1fdy_c00 N-ACETYLNEURAMINATE LYASE user 2 3 # 2 A 137 TYR B 130 TYR^? 1000.00 A 142 LEU B 85 LEU^? 1000.00 A 165 LYS B 131 LYS^? 1000.00 coo -38.10 -88.84 -25.29 -37.86 -86.12 -24.64 9.59 -27.76 -68.70 10.95 -25.45 -69.40 coo -32.09 -82.74 -22.70 -32.91 -80.79 -22.33 10.33 -28.93 -78.96 9.83 -27.07 -79.99 coo -39.97 -88.99 -30.53 -40.75 -85.40 -25.70 10.88 -30.17 -64.72 8.95 -29.51 -59.71 1fdy_c00 source 1fdy N-ACETYLNEURAMINATE LYASE : 2 hits 1fdy_c00 naa= 3 ULMN 3 1fdy_c01 N-ACETYLNEURAMINATE LYASE user 1 3 # 1 B 137 TYR A 130 TYR^? 1000.00 B 142 LEU A 85 LEU^? 1000.00 B 165 LYS A 131 LYS^? 1000.00 coo 1.63 -78.98 -34.99 0.64 -76.54 -34.02 19.24 -22.19 -40.85 16.56 -22.21 -40.14 coo -5.98 -74.54 -33.87 -5.92 -72.62 -32.92 19.89 -23.42 -30.59 18.52 -22.06 -29.57 coo 4.26 -81.75 -30.55 3.40 -75.83 -32.08 20.68 -24.51 -44.83 21.09 -22.52 -49.85 ULMN 3 1fdy_c01 N-ACETYLNEURAMINATE LYASE user 2 3 # 2 B 137 TYR B 130 TYR^? 1000.00 B 142 LEU B 85 LEU^? 1000.00 B 165 LYS B 131 LYS^? 1000.00 coo 1.63 -78.98 -34.99 0.64 -76.54 -34.02 9.59 -27.76 -68.70 10.95 -25.45 -69.40 coo -5.98 -74.54 -33.87 -5.92 -72.62 -32.92 10.33 -28.93 -78.96 9.83 -27.07 -79.99 coo 4.26 -81.75 -30.55 3.40 -75.83 -32.08 10.88 -30.17 -64.72 8.95 -29.51 -59.71 1fdy_c01 source 1fdy N-ACETYLNEURAMINATE LYASE : 2 hits 1fdy_c01 naa= 3 ULMN 3 1fdy_c02 N-ACETYLNEURAMINATE LYASE user 1 3 # 1 C 137 TYR A 130 TYR^? 1000.00 C 142 LEU A 85 LEU^? 1000.00 C 165 LYS A 131 LYS^? 1000.00 coo -19.42 -69.79 -47.15 -19.24 -72.58 -47.52 19.24 -22.19 -40.85 16.56 -22.21 -40.14 coo -15.96 -76.69 -42.83 -16.62 -78.73 -42.99 19.89 -23.42 -30.59 18.52 -22.06 -29.57 coo -25.12 -68.79 -47.79 -21.06 -72.76 -50.30 20.68 -24.51 -44.83 21.09 -22.52 -49.85 ULMN 3 1fdy_c02 N-ACETYLNEURAMINATE LYASE user 2 3 # 2 C 137 TYR B 130 TYR^? 1000.00 C 142 LEU B 85 LEU^? 1000.00 C 165 LYS B 131 LYS^? 1000.00 coo -19.42 -69.79 -47.15 -19.24 -72.58 -47.52 9.59 -27.76 -68.70 10.95 -25.45 -69.40 coo -15.96 -76.69 -42.83 -16.62 -78.73 -42.99 10.33 -28.93 -78.96 9.83 -27.07 -79.99 coo -25.12 -68.79 -47.79 -21.06 -72.76 -50.30 10.88 -30.17 -64.72 8.95 -29.51 -59.71 1fdy_c02 source 1fdy N-ACETYLNEURAMINATE LYASE : 2 hits 1fdy_c02 naa= 3 ULMN 3 1fdy_c03 N-ACETYLNEURAMINATE LYASE user 1 3 # 1 D 137 TYR A 130 TYR^? 1000.00 D 142 LEU A 85 LEU^? 1000.00 D 165 LYS A 131 LYS^? 1000.00 coo -19.43 -82.92 -7.62 -19.06 -85.28 -9.04 19.24 -22.19 -40.85 16.56 -22.21 -40.14 coo -21.22 -86.47 -15.56 -20.39 -88.44 -15.62 19.89 -23.42 -30.59 18.52 -22.06 -29.57 coo -14.17 -80.73 -6.25 -16.63 -86.38 -7.08 20.68 -24.51 -44.83 21.09 -22.52 -49.85 ULMN 3 1fdy_c03 N-ACETYLNEURAMINATE LYASE user 2 3 # 2 D 137 TYR B 130 TYR^? 1000.00 D 142 LEU B 85 LEU^? 1000.00 D 165 LYS B 131 LYS^? 1000.00 coo -19.43 -82.92 -7.62 -19.06 -85.28 -9.04 9.59 -27.76 -68.70 10.95 -25.45 -69.40 coo -21.22 -86.47 -15.56 -20.39 -88.44 -15.62 10.33 -28.93 -78.96 9.83 -27.07 -79.99 coo -14.17 -80.73 -6.25 -16.63 -86.38 -7.08 10.88 -30.17 -64.72 8.95 -29.51 -59.71 1fdy_c03 source 1fdy N-ACETYLNEURAMINATE LYASE : 2 hits 1fdy_c03 naa= 3 ULMN 3 1fdy_c04 N-ACETYLNEURAMINATE LYASE user 1 3 # 1 A 47 SER A 16 SER.? 1000.00 A 48 THR A 17 THR.? 1000.00 A 165 LYS A 8 LYS^? 1000.00 coo -39.09 -83.21 -19.79 -37.33 -83.94 -21.38 29.28 -18.48 -20.76 27.76 -20.30 -20.33 coo -41.85 -80.60 -20.11 -42.94 -79.78 -21.77 30.54 -20.11 -17.59 31.12 -18.60 -16.20 coo -39.97 -88.99 -30.53 -40.75 -85.40 -25.70 27.50 -22.43 -30.09 31.82 -26.84 -29.34 ULMN 3 1fdy_c04 N-ACETYLNEURAMINATE LYASE user 2 3 # 2 A 47 SER A 16 SER.? 1000.00 A 48 THR A 17 THR.? 1000.00 A 165 LYS A 61 LYS^? 1000.00 coo -39.09 -83.21 -19.79 -37.33 -83.94 -21.38 29.28 -18.48 -20.76 27.76 -20.30 -20.33 coo -41.85 -80.60 -20.11 -42.94 -79.78 -21.77 30.54 -20.11 -17.59 31.12 -18.60 -16.20 coo -39.97 -88.99 -30.53 -40.75 -85.40 -25.70 21.64 -11.48 -26.11 26.63 -11.26 -28.52 ULMN 3 1fdy_c04 N-ACETYLNEURAMINATE LYASE user 3 3 # 3 A 47 SER A 156 SER^? 1000.00 A 48 THR A 159 THR^? 1000.00 A 165 LYS A 51 LYS.? 1000.00 coo -39.09 -83.21 -19.79 -37.33 -83.94 -21.38 17.18 -29.56 -45.49 18.99 -29.97 -47.06 coo -41.85 -80.60 -20.11 -42.94 -79.78 -21.77 17.29 -31.32 -50.81 18.23 -33.18 -50.27 coo -39.97 -88.99 -30.53 -40.75 -85.40 -25.70 6.39 -26.09 -50.65 11.04 -24.99 -50.07 ULMN 3 1fdy_c04 N-ACETYLNEURAMINATE LYASE user 4 3 # 4 A 47 SER B 16 SER^? 1000.00 A 48 THR B 17 THR^? 1000.00 A 165 LYS B 8 LYS^? 1000.00 coo -39.09 -83.21 -19.79 -37.33 -83.94 -21.38 1.34 -34.60 -88.79 3.68 -34.16 -89.21 coo -41.85 -80.60 -20.11 -42.94 -79.78 -21.77 2.13 -36.50 -91.95 0.52 -36.25 -93.35 coo -39.97 -88.99 -30.53 -40.75 -85.40 -25.70 5.64 -35.04 -79.46 7.30 -40.97 -80.23 ULMN 3 1fdy_c04 N-ACETYLNEURAMINATE LYASE user 5 3 # 5 A 47 SER B 16 SER^? 1000.00 A 48 THR B 17 THR^? 1000.00 A 165 LYS B 61 LYS^? 1000.00 coo -39.09 -83.21 -19.79 -37.33 -83.94 -21.38 1.34 -34.60 -88.79 3.68 -34.16 -89.21 coo -41.85 -80.60 -20.11 -42.94 -79.78 -21.77 2.13 -36.50 -91.95 0.52 -36.25 -93.35 coo -39.97 -88.99 -30.53 -40.75 -85.40 -25.70 -0.89 -24.47 -83.43 -3.57 -28.69 -81.00 ULMN 3 1fdy_c04 N-ACETYLNEURAMINATE LYASE user 6 3 # 6 A 47 SER B 156 SER^? 1000.00 A 48 THR B 159 THR^? 1000.00 A 165 LYS B 51 LYS^? 1000.00 coo -39.09 -83.21 -19.79 -37.33 -83.94 -21.38 16.99 -29.67 -64.07 16.46 -31.46 -62.50 coo -41.85 -80.60 -20.11 -42.94 -79.78 -21.77 18.46 -30.65 -58.74 19.61 -32.39 -59.28 coo -39.97 -88.99 -30.53 -40.75 -85.40 -25.70 19.42 -18.59 -58.83 16.07 -22.36 -58.94 1fdy_c04 source 1fdy N-ACETYLNEURAMINATE LYASE : 6 hits 1fdy_c04 naa= 3 ULMN 3 1fdy_c05 N-ACETYLNEURAMINATE LYASE user 1 3 # 1 B 47 SER A 16 SER.? 1000.00 B 48 THR A 17 THR.? 1000.00 B 165 LYS A 61 LYS^? 1000.00 coo 0.74 -71.26 -35.87 -0.36 -73.34 -35.30 29.28 -18.48 -20.76 27.76 -20.30 -20.33 coo 2.65 -68.72 -33.78 3.66 -68.93 -31.87 30.54 -20.11 -17.59 31.12 -18.60 -16.20 coo 4.26 -81.75 -30.55 3.40 -75.83 -32.08 21.64 -11.48 -26.11 26.63 -11.26 -28.52 ULMN 3 1fdy_c05 N-ACETYLNEURAMINATE LYASE user 2 3 # 2 B 47 SER A 156 SER^? 1000.00 B 48 THR A 159 THR^? 1000.00 B 165 LYS A 51 LYS.? 1000.00 coo 0.74 -71.26 -35.87 -0.36 -73.34 -35.30 17.18 -29.56 -45.49 18.99 -29.97 -47.06 coo 2.65 -68.72 -33.78 3.66 -68.93 -31.87 17.29 -31.32 -50.81 18.23 -33.18 -50.27 coo 4.26 -81.75 -30.55 3.40 -75.83 -32.08 6.39 -26.09 -50.65 11.04 -24.99 -50.07 ULMN 3 1fdy_c05 N-ACETYLNEURAMINATE LYASE user 3 3 # 3 B 47 SER B 16 SER^? 1000.00 B 48 THR B 17 THR^? 1000.00 B 165 LYS B 61 LYS^? 1000.00 coo 0.74 -71.26 -35.87 -0.36 -73.34 -35.30 1.34 -34.60 -88.79 3.68 -34.16 -89.21 coo 2.65 -68.72 -33.78 3.66 -68.93 -31.87 2.13 -36.50 -91.95 0.52 -36.25 -93.35 coo 4.26 -81.75 -30.55 3.40 -75.83 -32.08 -0.89 -24.47 -83.43 -3.57 -28.69 -81.00 ULMN 3 1fdy_c05 N-ACETYLNEURAMINATE LYASE user 4 3 # 4 B 47 SER B 156 SER^? 1000.00 B 48 THR B 159 THR^? 1000.00 B 165 LYS B 51 LYS^? 1000.00 coo 0.74 -71.26 -35.87 -0.36 -73.34 -35.30 16.99 -29.67 -64.07 16.46 -31.46 -62.50 coo 2.65 -68.72 -33.78 3.66 -68.93 -31.87 18.46 -30.65 -58.74 19.61 -32.39 -59.28 coo 4.26 -81.75 -30.55 3.40 -75.83 -32.08 19.42 -18.59 -58.83 16.07 -22.36 -58.94 1fdy_c05 source 1fdy N-ACETYLNEURAMINATE LYASE : 4 hits 1fdy_c05 naa= 3 ULMN 3 1fdy_c06 N-ACETYLNEURAMINATE LYASE user 1 3 # 1 C 47 SER A 16 SER.? 1000.00 C 48 THR A 17 THR.? 1000.00 C 165 LYS A 8 LYS^? 1000.00 coo -15.18 -75.37 -50.42 -16.12 -74.55 -48.34 29.28 -18.48 -20.76 27.76 -20.30 -20.33 coo -16.57 -77.65 -53.15 -18.61 -78.18 -53.63 30.54 -20.11 -17.59 31.12 -18.60 -16.20 coo -25.12 -68.79 -47.79 -21.06 -72.76 -50.30 27.50 -22.43 -30.09 31.82 -26.84 -29.34 ULMN 3 1fdy_c06 N-ACETYLNEURAMINATE LYASE user 2 3 # 2 C 47 SER A 16 SER.? 1000.00 C 48 THR A 17 THR.? 1000.00 C 165 LYS A 61 LYS^? 1000.00 coo -15.18 -75.37 -50.42 -16.12 -74.55 -48.34 29.28 -18.48 -20.76 27.76 -20.30 -20.33 coo -16.57 -77.65 -53.15 -18.61 -78.18 -53.63 30.54 -20.11 -17.59 31.12 -18.60 -16.20 coo -25.12 -68.79 -47.79 -21.06 -72.76 -50.30 21.64 -11.48 -26.11 26.63 -11.26 -28.52 ULMN 3 1fdy_c06 N-ACETYLNEURAMINATE LYASE user 3 3 # 3 C 47 SER A 156 SER^? 1000.00 C 48 THR A 159 THR^? 1000.00 C 165 LYS A 51 LYS.? 1000.00 coo -15.18 -75.37 -50.42 -16.12 -74.55 -48.34 17.18 -29.56 -45.49 18.99 -29.97 -47.06 coo -16.57 -77.65 -53.15 -18.61 -78.18 -53.63 17.29 -31.32 -50.81 18.23 -33.18 -50.27 coo -25.12 -68.79 -47.79 -21.06 -72.76 -50.30 6.39 -26.09 -50.65 11.04 -24.99 -50.07 ULMN 3 1fdy_c06 N-ACETYLNEURAMINATE LYASE user 4 3 # 4 C 47 SER B 16 SER^? 1000.00 C 48 THR B 17 THR^? 1000.00 C 165 LYS B 8 LYS^? 1000.00 coo -15.18 -75.37 -50.42 -16.12 -74.55 -48.34 1.34 -34.60 -88.79 3.68 -34.16 -89.21 coo -16.57 -77.65 -53.15 -18.61 -78.18 -53.63 2.13 -36.50 -91.95 0.52 -36.25 -93.35 coo -25.12 -68.79 -47.79 -21.06 -72.76 -50.30 5.64 -35.04 -79.46 7.30 -40.97 -80.23 ULMN 3 1fdy_c06 N-ACETYLNEURAMINATE LYASE user 5 3 # 5 C 47 SER B 16 SER^? 1000.00 C 48 THR B 17 THR^? 1000.00 C 165 LYS B 61 LYS^? 1000.00 coo -15.18 -75.37 -50.42 -16.12 -74.55 -48.34 1.34 -34.60 -88.79 3.68 -34.16 -89.21 coo -16.57 -77.65 -53.15 -18.61 -78.18 -53.63 2.13 -36.50 -91.95 0.52 -36.25 -93.35 coo -25.12 -68.79 -47.79 -21.06 -72.76 -50.30 -0.89 -24.47 -83.43 -3.57 -28.69 -81.00 ULMN 3 1fdy_c06 N-ACETYLNEURAMINATE LYASE user 6 3 # 6 C 47 SER B 156 SER^? 1000.00 C 48 THR B 159 THR^? 1000.00 C 165 LYS B 51 LYS^? 1000.00 coo -15.18 -75.37 -50.42 -16.12 -74.55 -48.34 16.99 -29.67 -64.07 16.46 -31.46 -62.50 coo -16.57 -77.65 -53.15 -18.61 -78.18 -53.63 18.46 -30.65 -58.74 19.61 -32.39 -59.28 coo -25.12 -68.79 -47.79 -21.06 -72.76 -50.30 19.42 -18.59 -58.83 16.07 -22.36 -58.94 1fdy_c06 source 1fdy N-ACETYLNEURAMINATE LYASE : 6 hits 1fdy_c06 naa= 3 ULMN 3 1fdy_c07 N-ACETYLNEURAMINATE LYASE user 1 3 # 1 D 47 SER A 16 SER.? 1000.00 D 48 THR A 17 THR.? 1000.00 D 165 LYS A 61 LYS^? 1000.00 coo -21.69 -90.39 -8.89 -21.07 -88.29 -10.03 29.28 -18.48 -20.76 27.76 -20.30 -20.33 coo -19.38 -93.32 -7.98 -17.24 -93.31 -7.67 30.54 -20.11 -17.59 31.12 -18.60 -16.20 coo -14.17 -80.73 -6.25 -16.63 -86.38 -7.08 21.64 -11.48 -26.11 26.63 -11.26 -28.52 ULMN 3 1fdy_c07 N-ACETYLNEURAMINATE LYASE user 2 3 # 2 D 47 SER A 156 SER^? 1000.00 D 48 THR A 159 THR^? 1000.00 D 165 LYS A 51 LYS.? 1000.00 coo -21.69 -90.39 -8.89 -21.07 -88.29 -10.03 17.18 -29.56 -45.49 18.99 -29.97 -47.06 coo -19.38 -93.32 -7.98 -17.24 -93.31 -7.67 17.29 -31.32 -50.81 18.23 -33.18 -50.27 coo -14.17 -80.73 -6.25 -16.63 -86.38 -7.08 6.39 -26.09 -50.65 11.04 -24.99 -50.07 ULMN 3 1fdy_c07 N-ACETYLNEURAMINATE LYASE user 3 3 # 3 D 47 SER B 16 SER^? 1000.00 D 48 THR B 17 THR^? 1000.00 D 165 LYS B 61 LYS^? 1000.00 coo -21.69 -90.39 -8.89 -21.07 -88.29 -10.03 1.34 -34.60 -88.79 3.68 -34.16 -89.21 coo -19.38 -93.32 -7.98 -17.24 -93.31 -7.67 2.13 -36.50 -91.95 0.52 -36.25 -93.35 coo -14.17 -80.73 -6.25 -16.63 -86.38 -7.08 -0.89 -24.47 -83.43 -3.57 -28.69 -81.00 ULMN 3 1fdy_c07 N-ACETYLNEURAMINATE LYASE user 4 3 # 4 D 47 SER B 156 SER^? 1000.00 D 48 THR B 159 THR^? 1000.00 D 165 LYS B 51 LYS^? 1000.00 coo -21.69 -90.39 -8.89 -21.07 -88.29 -10.03 16.99 -29.67 -64.07 16.46 -31.46 -62.50 coo -19.38 -93.32 -7.98 -17.24 -93.31 -7.67 18.46 -30.65 -58.74 19.61 -32.39 -59.28 coo -14.17 -80.73 -6.25 -16.63 -86.38 -7.08 19.42 -18.59 -58.83 16.07 -22.36 -58.94 1fdy_c07 source 1fdy N-ACETYLNEURAMINATE LYASE : 4 hits 1fdy_c07 naa= 3 ULMN 3 1fnb_c00 FERREDOXIN:NADP+ OXIDOREDUCTASE (FERuser 1 3 # 1 96 SER A 16 SER.? 1000.00 272 CYH A 65 CYH^? 1000.00 312 GLU A 15 GLU.? 1000.00 coo 27.57 5.78 14.13 25.30 6.31 13.99 29.28 -18.48 -20.76 27.76 -20.30 -20.33 coo 18.48 7.50 15.98 21.17 6.92 15.38 33.16 -11.23 -26.53 33.12 -13.74 -25.43 coo 22.30 10.15 12.52 24.07 9.52 13.47 31.83 -13.52 -21.46 31.81 -11.49 -22.03 ULMN 3 1fnb_c00 FERREDOXIN:NADP+ OXIDOREDUCTASE (FERuser 2 3 # 2 96 SER A 67 SER^? 1000.00 272 CYH A 112 CYH^? 1000.00 312 GLU A 124 GLU^? 1000.00 coo 27.57 5.78 14.13 25.30 6.31 13.99 29.87 -9.30 -30.54 29.24 -8.38 -28.41 coo 18.48 7.50 15.98 21.17 6.92 15.38 22.89 -3.13 -31.78 25.14 -2.79 -30.26 coo 22.30 10.15 12.52 24.07 9.52 13.47 24.17 -8.38 -29.24 26.07 -8.88 -30.07 ULMN 3 1fnb_c00 FERREDOXIN:NADP+ OXIDOREDUCTASE (FERuser 3 3 # 3 96 SER B 16 SER^? 1000.00 272 CYH B 65 CYH^? 1000.00 312 GLU B 15 GLU^? 1000.00 coo 27.57 5.78 14.13 25.30 6.31 13.99 1.34 -34.60 -88.79 3.68 -34.16 -89.21 coo 18.48 7.50 15.98 21.17 6.92 15.38 -6.88 -34.31 -83.01 -4.68 -35.50 -84.10 coo 22.30 10.15 12.52 24.07 9.52 13.47 -4.24 -34.31 -88.08 -5.97 -33.27 -87.50 ULMN 3 1fnb_c00 FERREDOXIN:NADP+ OXIDOREDUCTASE (FERuser 4 3 # 4 96 SER B 67 SER^? 1000.00 272 CYH B 112 CYH^? 1000.00 312 GLU B 124 GLU^? 1000.00 coo 27.57 5.78 14.13 25.30 6.31 13.99 -6.90 -30.50 -78.99 -7.38 -29.51 -81.14 coo 18.48 7.50 15.98 21.17 6.92 15.38 -8.76 -21.38 -77.75 -10.25 -23.14 -79.25 coo 22.30 10.15 12.52 24.07 9.52 13.47 -4.84 -25.10 -80.31 -5.35 -27.01 -79.49 1fnb_c00 source 1fnb FERREDOXIN:NADP+ OXIDOREDUCTASE (FERREDOXIN RE: 4 hits 1fnb_c00 naa= 3 ULMN 3 1fo6_c00 N-CARBAMOYL-D-AMINO-ACID AMIDOHYDROLuser 1 3 # 1 A 47 GLU A 15 GLU.? 1000.00 A 127 LYS A 23 LYS.? 1000.00 A 172 CYH A 65 CYH^? 1000.00 coo 14.84 17.73 17.72 12.66 18.02 17.60 31.83 -13.52 -21.46 31.81 -11.49 -22.03 coo 13.59 13.62 10.66 10.48 17.11 15.01 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 10.73 13.80 18.28 9.65 16.43 18.61 33.16 -11.23 -26.53 33.12 -13.74 -25.43 ULMN 3 1fo6_c00 N-CARBAMOYL-D-AMINO-ACID AMIDOHYDROLuser 2 3 # 2 A 47 GLU A 86 GLU^? 1000.00 A 127 LYS A 101 LYS^? 1000.00 A 172 CYH A 98 CYH^? 1000.00 coo 14.84 17.73 17.72 12.66 18.02 17.60 21.78 -27.43 -25.47 23.65 -28.43 -25.48 coo 13.59 13.62 10.66 10.48 17.11 15.01 21.27 -27.97 -34.76 23.33 -33.29 -31.87 coo 10.73 13.80 18.28 9.65 16.43 18.61 15.72 -29.14 -26.53 14.42 -27.53 -28.35 ULMN 3 1fo6_c00 N-CARBAMOYL-D-AMINO-ACID AMIDOHYDROLuser 3 3 # 3 A 47 GLU A 136 GLU^? 1000.00 A 127 LYS A 101 LYS^? 1000.00 A 172 CYH A 98 CYH^? 1000.00 coo 14.84 17.73 17.72 12.66 18.02 17.60 17.75 -33.88 -31.63 19.76 -34.22 -31.08 coo 13.59 13.62 10.66 10.48 17.11 15.01 21.27 -27.97 -34.76 23.33 -33.29 -31.87 coo 10.73 13.80 18.28 9.65 16.43 18.61 15.72 -29.14 -26.53 14.42 -27.53 -28.35 ULMN 3 1fo6_c00 N-CARBAMOYL-D-AMINO-ACID AMIDOHYDROLuser 4 3 # 4 A 47 GLU A 136 GLU^? 1000.00 A 127 LYS A 149 LYS^? 1000.00 A 172 CYH A 98 CYH^? 1000.00 coo 14.84 17.73 17.72 12.66 18.02 17.60 17.75 -33.88 -31.63 19.76 -34.22 -31.08 coo 13.59 13.62 10.66 10.48 17.11 15.01 14.94 -38.46 -26.02 20.21 -36.07 -27.66 coo 10.73 13.80 18.28 9.65 16.43 18.61 15.72 -29.14 -26.53 14.42 -27.53 -28.35 ULMN 3 1fo6_c00 N-CARBAMOYL-D-AMINO-ACID AMIDOHYDROLuser 5 3 # 5 A 47 GLU B 15 GLU^? 1000.00 A 127 LYS B 23 LYS^? 1000.00 A 172 CYH B 65 CYH^? 1000.00 coo 14.84 17.73 17.72 12.66 18.02 17.60 -4.24 -34.31 -88.08 -5.97 -33.27 -87.50 coo 13.59 13.62 10.66 10.48 17.11 15.01 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 10.73 13.80 18.28 9.65 16.43 18.61 -6.88 -34.31 -83.01 -4.68 -35.50 -84.10 ULMN 3 1fo6_c00 N-CARBAMOYL-D-AMINO-ACID AMIDOHYDROLuser 6 3 # 6 A 47 GLU B 86 GLU^? 1000.00 A 127 LYS B 101 LYS^? 1000.00 A 172 CYH B 98 CYH^? 1000.00 coo 14.84 17.73 17.72 12.66 18.02 17.60 12.86 -32.58 -84.08 12.77 -34.69 -84.08 coo 13.59 13.62 10.66 10.48 17.11 15.01 13.59 -32.41 -74.79 17.17 -36.84 -77.71 coo 10.73 13.80 18.28 9.65 16.43 18.61 17.36 -28.18 -83.02 16.63 -26.25 -81.22 ULMN 3 1fo6_c00 N-CARBAMOYL-D-AMINO-ACID AMIDOHYDROLuser 7 3 # 7 A 47 GLU B 136 GLU^? 1000.00 A 127 LYS B 101 LYS^? 1000.00 A 172 CYH B 98 CYH^? 1000.00 coo 14.84 17.73 17.72 12.66 18.02 17.60 20.45 -32.33 -77.94 19.74 -34.24 -78.49 coo 13.59 13.62 10.66 10.48 17.11 15.01 13.59 -32.41 -74.79 17.17 -36.84 -77.71 coo 10.73 13.80 18.28 9.65 16.43 18.61 17.36 -28.18 -83.02 16.63 -26.25 -81.22 ULMN 3 1fo6_c00 N-CARBAMOYL-D-AMINO-ACID AMIDOHYDROLuser 8 3 # 8 A 47 GLU B 136 GLU^? 1000.00 A 127 LYS B 149 LYS^? 1000.00 A 172 CYH B 98 CYH^? 1000.00 coo 14.84 17.73 17.72 12.66 18.02 17.60 20.45 -32.33 -77.94 19.74 -34.24 -78.49 coo 13.59 13.62 10.66 10.48 17.11 15.01 25.82 -32.19 -83.53 21.12 -35.55 -81.90 coo 10.73 13.80 18.28 9.65 16.43 18.61 17.36 -28.18 -83.02 16.63 -26.25 -81.22 1fo6_c00 source 1fo6 N-CARBAMOYL-D-AMINO-ACID AMIDOHYDROLASE : 8 hits 1fo6_c00 naa= 3 ULMN 3 1fo6_c01 N-CARBAMOYL-D-AMINO-ACID AMIDOHYDROLuser 1 3 # 1 B 47 GLU A 15 GLU.? 1000.00 B 127 LYS A 23 LYS.? 1000.00 B 172 CYH A 65 CYH^? 1000.00 coo -11.43 -15.11 20.71 -9.41 -15.34 21.12 31.83 -13.52 -21.46 31.81 -11.49 -22.03 coo -8.59 -13.62 12.98 -6.65 -15.32 18.82 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo -7.53 -11.08 20.68 -6.56 -13.38 22.13 33.16 -11.23 -26.53 33.12 -13.74 -25.43 ULMN 3 1fo6_c01 N-CARBAMOYL-D-AMINO-ACID AMIDOHYDROLuser 2 3 # 2 B 47 GLU A 86 GLU^? 1000.00 B 127 LYS A 101 LYS^? 1000.00 B 172 CYH A 98 CYH^? 1000.00 coo -11.43 -15.11 20.71 -9.41 -15.34 21.12 21.78 -27.43 -25.47 23.65 -28.43 -25.48 coo -8.59 -13.62 12.98 -6.65 -15.32 18.82 21.27 -27.97 -34.76 23.33 -33.29 -31.87 coo -7.53 -11.08 20.68 -6.56 -13.38 22.13 15.72 -29.14 -26.53 14.42 -27.53 -28.35 ULMN 3 1fo6_c01 N-CARBAMOYL-D-AMINO-ACID AMIDOHYDROLuser 3 3 # 3 B 47 GLU A 136 GLU^? 1000.00 B 127 LYS A 101 LYS^? 1000.00 B 172 CYH A 98 CYH^? 1000.00 coo -11.43 -15.11 20.71 -9.41 -15.34 21.12 17.75 -33.88 -31.63 19.76 -34.22 -31.08 coo -8.59 -13.62 12.98 -6.65 -15.32 18.82 21.27 -27.97 -34.76 23.33 -33.29 -31.87 coo -7.53 -11.08 20.68 -6.56 -13.38 22.13 15.72 -29.14 -26.53 14.42 -27.53 -28.35 ULMN 3 1fo6_c01 N-CARBAMOYL-D-AMINO-ACID AMIDOHYDROLuser 4 3 # 4 B 47 GLU A 136 GLU^? 1000.00 B 127 LYS A 149 LYS^? 1000.00 B 172 CYH A 98 CYH^? 1000.00 coo -11.43 -15.11 20.71 -9.41 -15.34 21.12 17.75 -33.88 -31.63 19.76 -34.22 -31.08 coo -8.59 -13.62 12.98 -6.65 -15.32 18.82 14.94 -38.46 -26.02 20.21 -36.07 -27.66 coo -7.53 -11.08 20.68 -6.56 -13.38 22.13 15.72 -29.14 -26.53 14.42 -27.53 -28.35 ULMN 3 1fo6_c01 N-CARBAMOYL-D-AMINO-ACID AMIDOHYDROLuser 5 3 # 5 B 47 GLU B 15 GLU^? 1000.00 B 127 LYS B 23 LYS^? 1000.00 B 172 CYH B 65 CYH^? 1000.00 coo -11.43 -15.11 20.71 -9.41 -15.34 21.12 -4.24 -34.31 -88.08 -5.97 -33.27 -87.50 coo -8.59 -13.62 12.98 -6.65 -15.32 18.82 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo -7.53 -11.08 20.68 -6.56 -13.38 22.13 -6.88 -34.31 -83.01 -4.68 -35.50 -84.10 ULMN 3 1fo6_c01 N-CARBAMOYL-D-AMINO-ACID AMIDOHYDROLuser 6 3 # 6 B 47 GLU B 86 GLU^? 1000.00 B 127 LYS B 101 LYS^? 1000.00 B 172 CYH B 98 CYH^? 1000.00 coo -11.43 -15.11 20.71 -9.41 -15.34 21.12 12.86 -32.58 -84.08 12.77 -34.69 -84.08 coo -8.59 -13.62 12.98 -6.65 -15.32 18.82 13.59 -32.41 -74.79 17.17 -36.84 -77.71 coo -7.53 -11.08 20.68 -6.56 -13.38 22.13 17.36 -28.18 -83.02 16.63 -26.25 -81.22 ULMN 3 1fo6_c01 N-CARBAMOYL-D-AMINO-ACID AMIDOHYDROLuser 7 3 # 7 B 47 GLU B 136 GLU^? 1000.00 B 127 LYS B 101 LYS^? 1000.00 B 172 CYH B 98 CYH^? 1000.00 coo -11.43 -15.11 20.71 -9.41 -15.34 21.12 20.45 -32.33 -77.94 19.74 -34.24 -78.49 coo -8.59 -13.62 12.98 -6.65 -15.32 18.82 13.59 -32.41 -74.79 17.17 -36.84 -77.71 coo -7.53 -11.08 20.68 -6.56 -13.38 22.13 17.36 -28.18 -83.02 16.63 -26.25 -81.22 ULMN 3 1fo6_c01 N-CARBAMOYL-D-AMINO-ACID AMIDOHYDROLuser 8 3 # 8 B 47 GLU B 136 GLU^? 1000.00 B 127 LYS B 149 LYS^? 1000.00 B 172 CYH B 98 CYH^? 1000.00 coo -11.43 -15.11 20.71 -9.41 -15.34 21.12 20.45 -32.33 -77.94 19.74 -34.24 -78.49 coo -8.59 -13.62 12.98 -6.65 -15.32 18.82 25.82 -32.19 -83.53 21.12 -35.55 -81.90 coo -7.53 -11.08 20.68 -6.56 -13.38 22.13 17.36 -28.18 -83.02 16.63 -26.25 -81.22 1fo6_c01 source 1fo6 N-CARBAMOYL-D-AMINO-ACID AMIDOHYDROLASE : 8 hits 1fo6_c01 naa= 3 ULMN 3 1fo6_c02 N-CARBAMOYL-D-AMINO-ACID AMIDOHYDROLuser 1 3 # 1 C 47 GLU A 15 GLU.? 1000.00 C 127 LYS A 23 LYS.? 1000.00 C 172 CYH A 65 CYH^? 1000.00 coo -14.75 22.68 45.73 -12.65 22.97 45.86 31.83 -13.52 -21.46 31.81 -11.49 -22.03 coo -13.46 21.30 53.90 -10.36 22.98 48.58 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo -10.67 18.91 46.59 -9.50 21.20 45.39 33.16 -11.23 -26.53 33.12 -13.74 -25.43 ULMN 3 1fo6_c02 N-CARBAMOYL-D-AMINO-ACID AMIDOHYDROLuser 2 3 # 2 C 47 GLU A 86 GLU^? 1000.00 C 127 LYS A 101 LYS^? 1000.00 C 172 CYH A 98 CYH^? 1000.00 coo -14.75 22.68 45.73 -12.65 22.97 45.86 21.78 -27.43 -25.47 23.65 -28.43 -25.48 coo -13.46 21.30 53.90 -10.36 22.98 48.58 21.27 -27.97 -34.76 23.33 -33.29 -31.87 coo -10.67 18.91 46.59 -9.50 21.20 45.39 15.72 -29.14 -26.53 14.42 -27.53 -28.35 ULMN 3 1fo6_c02 N-CARBAMOYL-D-AMINO-ACID AMIDOHYDROLuser 3 3 # 3 C 47 GLU A 136 GLU^? 1000.00 C 127 LYS A 101 LYS^? 1000.00 C 172 CYH A 98 CYH^? 1000.00 coo -14.75 22.68 45.73 -12.65 22.97 45.86 17.75 -33.88 -31.63 19.76 -34.22 -31.08 coo -13.46 21.30 53.90 -10.36 22.98 48.58 21.27 -27.97 -34.76 23.33 -33.29 -31.87 coo -10.67 18.91 46.59 -9.50 21.20 45.39 15.72 -29.14 -26.53 14.42 -27.53 -28.35 ULMN 3 1fo6_c02 N-CARBAMOYL-D-AMINO-ACID AMIDOHYDROLuser 4 3 # 4 C 47 GLU A 136 GLU^? 1000.00 C 127 LYS A 149 LYS^? 1000.00 C 172 CYH A 98 CYH^? 1000.00 coo -14.75 22.68 45.73 -12.65 22.97 45.86 17.75 -33.88 -31.63 19.76 -34.22 -31.08 coo -13.46 21.30 53.90 -10.36 22.98 48.58 14.94 -38.46 -26.02 20.21 -36.07 -27.66 coo -10.67 18.91 46.59 -9.50 21.20 45.39 15.72 -29.14 -26.53 14.42 -27.53 -28.35 ULMN 3 1fo6_c02 N-CARBAMOYL-D-AMINO-ACID AMIDOHYDROLuser 5 3 # 5 C 47 GLU B 15 GLU^? 1000.00 C 127 LYS B 23 LYS^? 1000.00 C 172 CYH B 65 CYH^? 1000.00 coo -14.75 22.68 45.73 -12.65 22.97 45.86 -4.24 -34.31 -88.08 -5.97 -33.27 -87.50 coo -13.46 21.30 53.90 -10.36 22.98 48.58 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo -10.67 18.91 46.59 -9.50 21.20 45.39 -6.88 -34.31 -83.01 -4.68 -35.50 -84.10 ULMN 3 1fo6_c02 N-CARBAMOYL-D-AMINO-ACID AMIDOHYDROLuser 6 3 # 6 C 47 GLU B 86 GLU^? 1000.00 C 127 LYS B 101 LYS^? 1000.00 C 172 CYH B 98 CYH^? 1000.00 coo -14.75 22.68 45.73 -12.65 22.97 45.86 12.86 -32.58 -84.08 12.77 -34.69 -84.08 coo -13.46 21.30 53.90 -10.36 22.98 48.58 13.59 -32.41 -74.79 17.17 -36.84 -77.71 coo -10.67 18.91 46.59 -9.50 21.20 45.39 17.36 -28.18 -83.02 16.63 -26.25 -81.22 ULMN 3 1fo6_c02 N-CARBAMOYL-D-AMINO-ACID AMIDOHYDROLuser 7 3 # 7 C 47 GLU B 136 GLU^? 1000.00 C 127 LYS B 101 LYS^? 1000.00 C 172 CYH B 98 CYH^? 1000.00 coo -14.75 22.68 45.73 -12.65 22.97 45.86 20.45 -32.33 -77.94 19.74 -34.24 -78.49 coo -13.46 21.30 53.90 -10.36 22.98 48.58 13.59 -32.41 -74.79 17.17 -36.84 -77.71 coo -10.67 18.91 46.59 -9.50 21.20 45.39 17.36 -28.18 -83.02 16.63 -26.25 -81.22 ULMN 3 1fo6_c02 N-CARBAMOYL-D-AMINO-ACID AMIDOHYDROLuser 8 3 # 8 C 47 GLU B 136 GLU^? 1000.00 C 127 LYS B 149 LYS^? 1000.00 C 172 CYH B 98 CYH^? 1000.00 coo -14.75 22.68 45.73 -12.65 22.97 45.86 20.45 -32.33 -77.94 19.74 -34.24 -78.49 coo -13.46 21.30 53.90 -10.36 22.98 48.58 25.82 -32.19 -83.53 21.12 -35.55 -81.90 coo -10.67 18.91 46.59 -9.50 21.20 45.39 17.36 -28.18 -83.02 16.63 -26.25 -81.22 1fo6_c02 source 1fo6 N-CARBAMOYL-D-AMINO-ACID AMIDOHYDROLASE : 8 hits 1fo6_c02 naa= 3 ULMN 3 1fo6_c03 N-CARBAMOYL-D-AMINO-ACID AMIDOHYDROLuser 1 3 # 1 D 47 GLU A 15 GLU.? 1000.00 D 127 LYS A 23 LYS.? 1000.00 D 172 CYH A 65 CYH^? 1000.00 coo 11.48 -9.38 54.24 9.40 -9.76 53.86 31.83 -13.52 -21.46 31.81 -11.49 -22.03 coo 8.59 -5.45 60.90 6.67 -8.84 55.89 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 7.45 -5.79 52.90 6.67 -8.39 52.10 33.16 -11.23 -26.53 33.12 -13.74 -25.43 ULMN 3 1fo6_c03 N-CARBAMOYL-D-AMINO-ACID AMIDOHYDROLuser 2 3 # 2 D 47 GLU A 86 GLU^? 1000.00 D 127 LYS A 101 LYS^? 1000.00 D 172 CYH A 98 CYH^? 1000.00 coo 11.48 -9.38 54.24 9.40 -9.76 53.86 21.78 -27.43 -25.47 23.65 -28.43 -25.48 coo 8.59 -5.45 60.90 6.67 -8.84 55.89 21.27 -27.97 -34.76 23.33 -33.29 -31.87 coo 7.45 -5.79 52.90 6.67 -8.39 52.10 15.72 -29.14 -26.53 14.42 -27.53 -28.35 ULMN 3 1fo6_c03 N-CARBAMOYL-D-AMINO-ACID AMIDOHYDROLuser 3 3 # 3 D 47 GLU A 136 GLU^? 1000.00 D 127 LYS A 101 LYS^? 1000.00 D 172 CYH A 98 CYH^? 1000.00 coo 11.48 -9.38 54.24 9.40 -9.76 53.86 17.75 -33.88 -31.63 19.76 -34.22 -31.08 coo 8.59 -5.45 60.90 6.67 -8.84 55.89 21.27 -27.97 -34.76 23.33 -33.29 -31.87 coo 7.45 -5.79 52.90 6.67 -8.39 52.10 15.72 -29.14 -26.53 14.42 -27.53 -28.35 ULMN 3 1fo6_c03 N-CARBAMOYL-D-AMINO-ACID AMIDOHYDROLuser 4 3 # 4 D 47 GLU A 136 GLU^? 1000.00 D 127 LYS A 149 LYS^? 1000.00 D 172 CYH A 98 CYH^? 1000.00 coo 11.48 -9.38 54.24 9.40 -9.76 53.86 17.75 -33.88 -31.63 19.76 -34.22 -31.08 coo 8.59 -5.45 60.90 6.67 -8.84 55.89 14.94 -38.46 -26.02 20.21 -36.07 -27.66 coo 7.45 -5.79 52.90 6.67 -8.39 52.10 15.72 -29.14 -26.53 14.42 -27.53 -28.35 ULMN 3 1fo6_c03 N-CARBAMOYL-D-AMINO-ACID AMIDOHYDROLuser 5 3 # 5 D 47 GLU B 15 GLU^? 1000.00 D 127 LYS B 23 LYS^? 1000.00 D 172 CYH B 65 CYH^? 1000.00 coo 11.48 -9.38 54.24 9.40 -9.76 53.86 -4.24 -34.31 -88.08 -5.97 -33.27 -87.50 coo 8.59 -5.45 60.90 6.67 -8.84 55.89 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 7.45 -5.79 52.90 6.67 -8.39 52.10 -6.88 -34.31 -83.01 -4.68 -35.50 -84.10 ULMN 3 1fo6_c03 N-CARBAMOYL-D-AMINO-ACID AMIDOHYDROLuser 6 3 # 6 D 47 GLU B 86 GLU^? 1000.00 D 127 LYS B 101 LYS^? 1000.00 D 172 CYH B 98 CYH^? 1000.00 coo 11.48 -9.38 54.24 9.40 -9.76 53.86 12.86 -32.58 -84.08 12.77 -34.69 -84.08 coo 8.59 -5.45 60.90 6.67 -8.84 55.89 13.59 -32.41 -74.79 17.17 -36.84 -77.71 coo 7.45 -5.79 52.90 6.67 -8.39 52.10 17.36 -28.18 -83.02 16.63 -26.25 -81.22 ULMN 3 1fo6_c03 N-CARBAMOYL-D-AMINO-ACID AMIDOHYDROLuser 7 3 # 7 D 47 GLU B 136 GLU^? 1000.00 D 127 LYS B 101 LYS^? 1000.00 D 172 CYH B 98 CYH^? 1000.00 coo 11.48 -9.38 54.24 9.40 -9.76 53.86 20.45 -32.33 -77.94 19.74 -34.24 -78.49 coo 8.59 -5.45 60.90 6.67 -8.84 55.89 13.59 -32.41 -74.79 17.17 -36.84 -77.71 coo 7.45 -5.79 52.90 6.67 -8.39 52.10 17.36 -28.18 -83.02 16.63 -26.25 -81.22 ULMN 3 1fo6_c03 N-CARBAMOYL-D-AMINO-ACID AMIDOHYDROLuser 8 3 # 8 D 47 GLU B 136 GLU^? 1000.00 D 127 LYS B 149 LYS^? 1000.00 D 172 CYH B 98 CYH^? 1000.00 coo 11.48 -9.38 54.24 9.40 -9.76 53.86 20.45 -32.33 -77.94 19.74 -34.24 -78.49 coo 8.59 -5.45 60.90 6.67 -8.84 55.89 25.82 -32.19 -83.53 21.12 -35.55 -81.90 coo 7.45 -5.79 52.90 6.67 -8.39 52.10 17.36 -28.18 -83.02 16.63 -26.25 -81.22 1fo6_c03 source 1fo6 N-CARBAMOYL-D-AMINO-ACID AMIDOHYDROLASE : 8 hits 1fo6_c03 naa= 3 ULMN 3 1fuq_c00 FUMARASE C user 1 3 # 1 A 324 LYS A 23 LYS.? 1000.00 A 331 GLU A 86 GLU^? 1000.00 B 188 HIS A 21 HIS~? 1000.00 coo 130.22 155.23 83.49 125.21 153.71 84.04 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 120.90 152.23 75.28 120.94 153.09 77.19 21.78 -27.43 -25.47 23.65 -28.43 -25.48 coo 122.04 152.80 81.06 120.71 154.37 81.46 26.02 -25.01 -22.11 24.46 -26.35 -22.53 ULMN 3 1fuq_c00 FUMARASE C user 2 3 # 2 A 324 LYS B 23 LYS^? 1000.00 A 331 GLU B 86 GLU^? 1000.00 B 188 HIS B 21 HIS^? 1000.00 coo 130.22 155.23 83.49 125.21 153.71 84.04 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 120.90 152.23 75.28 120.94 153.09 77.19 12.86 -32.58 -84.08 12.77 -34.69 -84.08 coo 122.04 152.80 81.06 120.71 154.37 81.46 8.62 -35.03 -87.45 10.56 -34.35 -87.03 1fuq_c00 source 1fuq FUMARASE C : 2 hits 1fuq_c00 naa= 3 ULMN 3 1gdo_c00 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 1 3 # 1 B 1 CYH A 38 CYH.? 1000.00 B 98 ASN A 36 ASN^? 1000.00 B 99 GLY A 35 GLY^? 1000.00 coo 60.40 53.51 86.58 58.33 55.30 85.83 -1.23 -24.94 -47.20 -2.69 -27.16 -46.35 coo 61.33 49.28 88.22 61.64 50.04 86.28 4.01 -26.37 -45.94 2.34 -27.21 -44.98 coo 60.75 49.64 92.68 61.49 50.04 92.62 5.53 -24.22 -42.04 6.16 -24.06 -42.59 ULMN 3 1gdo_c00 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 2 3 # 2 B 1 CYH A 38 CYH.? 1000.00 B 98 ASN A 36 ASN^? 1000.00 B 99 GLY A 50 GLY.? 1000.00 coo 60.40 53.51 86.58 58.33 55.30 85.83 -1.23 -24.94 -47.20 -2.69 -27.16 -46.35 coo 61.33 49.28 88.22 61.64 50.04 86.28 4.01 -26.37 -45.94 2.34 -27.21 -44.98 coo 60.75 49.64 92.68 61.49 50.04 92.62 2.97 -27.10 -51.73 3.20 -27.54 -51.07 ULMN 3 1gdo_c00 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 3 3 # 3 B 1 CYH B 38 CYH^? 1000.00 B 98 ASN B 36 ASN^? 1000.00 B 99 GLY B 35 GLY^? 1000.00 coo 60.40 53.51 86.58 58.33 55.30 85.83 22.25 -11.43 -62.34 24.89 -11.25 -63.24 coo 61.33 49.28 88.22 61.64 50.04 86.28 20.84 -16.68 -63.62 22.42 -15.65 -64.57 coo 60.75 49.64 92.68 61.49 50.04 92.62 18.19 -16.89 -67.51 17.74 -17.36 -66.95 ULMN 3 1gdo_c00 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 4 3 # 4 B 1 CYH B 38 CYH^? 1000.00 B 98 ASN B 36 ASN^? 1000.00 B 99 GLY B 50 GLY^? 1000.00 coo 60.40 53.51 86.58 58.33 55.30 85.83 22.25 -11.43 -62.34 24.89 -11.25 -63.24 coo 61.33 49.28 88.22 61.64 50.04 86.28 20.84 -16.68 -63.62 22.42 -15.65 -64.57 coo 60.75 49.64 92.68 61.49 50.04 92.62 21.98 -16.14 -57.82 22.26 -16.57 -58.48 1gdo_c00 source 1gdo GLUCOSAMINE 6-PHOSPHATE SYNTHASE : 4 hits 1gdo_c00 naa= 3 ULMN 3 1gdo_c01 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 1 3 # 1 D 1 CYH A 38 CYH.? 1000.00 D 98 ASN A 36 ASN^? 1000.00 D 99 GLY A 35 GLY^? 1000.00 coo 45.17 35.76 43.57 47.17 33.90 42.78 -1.23 -24.94 -47.20 -2.69 -27.16 -46.35 coo 44.24 40.01 45.19 43.94 39.25 43.24 4.01 -26.37 -45.94 2.34 -27.21 -44.98 coo 44.81 39.60 49.65 44.07 39.23 49.57 5.53 -24.22 -42.04 6.16 -24.06 -42.59 ULMN 3 1gdo_c01 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 2 3 # 2 D 1 CYH A 38 CYH.? 1000.00 D 98 ASN A 36 ASN^? 1000.00 D 99 GLY A 50 GLY.? 1000.00 coo 45.17 35.76 43.57 47.17 33.90 42.78 -1.23 -24.94 -47.20 -2.69 -27.16 -46.35 coo 44.24 40.01 45.19 43.94 39.25 43.24 4.01 -26.37 -45.94 2.34 -27.21 -44.98 coo 44.81 39.60 49.65 44.07 39.23 49.57 2.97 -27.10 -51.73 3.20 -27.54 -51.07 ULMN 3 1gdo_c01 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 3 3 # 3 D 1 CYH B 38 CYH^? 1000.00 D 98 ASN B 36 ASN^? 1000.00 D 99 GLY B 35 GLY^? 1000.00 coo 45.17 35.76 43.57 47.17 33.90 42.78 22.25 -11.43 -62.34 24.89 -11.25 -63.24 coo 44.24 40.01 45.19 43.94 39.25 43.24 20.84 -16.68 -63.62 22.42 -15.65 -64.57 coo 44.81 39.60 49.65 44.07 39.23 49.57 18.19 -16.89 -67.51 17.74 -17.36 -66.95 ULMN 3 1gdo_c01 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 4 3 # 4 D 1 CYH B 38 CYH^? 1000.00 D 98 ASN B 36 ASN^? 1000.00 D 99 GLY B 50 GLY^? 1000.00 coo 45.17 35.76 43.57 47.17 33.90 42.78 22.25 -11.43 -62.34 24.89 -11.25 -63.24 coo 44.24 40.01 45.19 43.94 39.25 43.24 20.84 -16.68 -63.62 22.42 -15.65 -64.57 coo 44.81 39.60 49.65 44.07 39.23 49.57 21.98 -16.14 -57.82 22.26 -16.57 -58.48 1gdo_c01 source 1gdo GLUCOSAMINE 6-PHOSPHATE SYNTHASE : 4 hits 1gdo_c01 naa= 3 ULMN 3 1gdo_c02 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 1 3 # 1 A 1 CYH A 38 CYH.? 1000.00 A 98 ASN A 36 ASN^? 1000.00 A 99 GLY A 35 GLY^? 1000.00 coo 9.96 -7.64 43.39 12.01 -9.40 42.74 -1.23 -24.94 -47.20 -2.69 -27.16 -46.35 coo 9.26 -3.27 45.14 8.86 -4.02 43.23 4.01 -26.37 -45.94 2.34 -27.21 -44.98 coo 9.85 -3.74 49.57 9.12 -4.11 49.52 5.53 -24.22 -42.04 6.16 -24.06 -42.59 ULMN 3 1gdo_c02 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 2 3 # 2 A 1 CYH A 38 CYH.? 1000.00 A 98 ASN A 36 ASN^? 1000.00 A 99 GLY A 50 GLY.? 1000.00 coo 9.96 -7.64 43.39 12.01 -9.40 42.74 -1.23 -24.94 -47.20 -2.69 -27.16 -46.35 coo 9.26 -3.27 45.14 8.86 -4.02 43.23 4.01 -26.37 -45.94 2.34 -27.21 -44.98 coo 9.85 -3.74 49.57 9.12 -4.11 49.52 2.97 -27.10 -51.73 3.20 -27.54 -51.07 ULMN 3 1gdo_c02 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 3 3 # 3 A 1 CYH B 38 CYH^? 1000.00 A 98 ASN B 36 ASN^? 1000.00 A 99 GLY B 35 GLY^? 1000.00 coo 9.96 -7.64 43.39 12.01 -9.40 42.74 22.25 -11.43 -62.34 24.89 -11.25 -63.24 coo 9.26 -3.27 45.14 8.86 -4.02 43.23 20.84 -16.68 -63.62 22.42 -15.65 -64.57 coo 9.85 -3.74 49.57 9.12 -4.11 49.52 18.19 -16.89 -67.51 17.74 -17.36 -66.95 ULMN 3 1gdo_c02 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 4 3 # 4 A 1 CYH B 38 CYH^? 1000.00 A 98 ASN B 36 ASN^? 1000.00 A 99 GLY B 50 GLY^? 1000.00 coo 9.96 -7.64 43.39 12.01 -9.40 42.74 22.25 -11.43 -62.34 24.89 -11.25 -63.24 coo 9.26 -3.27 45.14 8.86 -4.02 43.23 20.84 -16.68 -63.62 22.42 -15.65 -64.57 coo 9.85 -3.74 49.57 9.12 -4.11 49.52 21.98 -16.14 -57.82 22.26 -16.57 -58.48 1gdo_c02 source 1gdo GLUCOSAMINE 6-PHOSPHATE SYNTHASE : 4 hits 1gdo_c02 naa= 3 ULMN 3 1gdo_c03 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 1 3 # 1 C 1 CYH A 38 CYH.? 1000.00 C 98 ASN A 36 ASN^? 1000.00 C 99 GLY A 35 GLY^? 1000.00 coo 25.27 14.39 86.45 23.28 16.25 85.80 -1.23 -24.94 -47.20 -2.69 -27.16 -46.35 coo 25.97 10.04 88.17 26.35 10.81 86.26 4.01 -26.37 -45.94 2.34 -27.21 -44.98 coo 25.32 10.47 92.61 26.06 10.86 92.54 5.53 -24.22 -42.04 6.16 -24.06 -42.59 ULMN 3 1gdo_c03 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 2 3 # 2 C 1 CYH A 38 CYH.? 1000.00 C 98 ASN A 36 ASN^? 1000.00 C 99 GLY A 50 GLY.? 1000.00 coo 25.27 14.39 86.45 23.28 16.25 85.80 -1.23 -24.94 -47.20 -2.69 -27.16 -46.35 coo 25.97 10.04 88.17 26.35 10.81 86.26 4.01 -26.37 -45.94 2.34 -27.21 -44.98 coo 25.32 10.47 92.61 26.06 10.86 92.54 2.97 -27.10 -51.73 3.20 -27.54 -51.07 ULMN 3 1gdo_c03 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 3 3 # 3 C 1 CYH B 38 CYH^? 1000.00 C 98 ASN B 36 ASN^? 1000.00 C 99 GLY B 35 GLY^? 1000.00 coo 25.27 14.39 86.45 23.28 16.25 85.80 22.25 -11.43 -62.34 24.89 -11.25 -63.24 coo 25.97 10.04 88.17 26.35 10.81 86.26 20.84 -16.68 -63.62 22.42 -15.65 -64.57 coo 25.32 10.47 92.61 26.06 10.86 92.54 18.19 -16.89 -67.51 17.74 -17.36 -66.95 ULMN 3 1gdo_c03 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 4 3 # 4 C 1 CYH B 38 CYH^? 1000.00 C 98 ASN B 36 ASN^? 1000.00 C 99 GLY B 50 GLY^? 1000.00 coo 25.27 14.39 86.45 23.28 16.25 85.80 22.25 -11.43 -62.34 24.89 -11.25 -63.24 coo 25.97 10.04 88.17 26.35 10.81 86.26 20.84 -16.68 -63.62 22.42 -15.65 -64.57 coo 25.32 10.47 92.61 26.06 10.86 92.54 21.98 -16.14 -57.82 22.26 -16.57 -58.48 1gdo_c03 source 1gdo GLUCOSAMINE 6-PHOSPHATE SYNTHASE : 4 hits 1gdo_c03 naa= 3 ULMN 3 1geq_c02 TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT user 1 3 # 1 A 36 GLU A 26 GLU^? 1000.00 A 47 ASP A 13 ASP.? 1000.00 A 161 TYR A 6 TYR^? 1000.00 coo 37.12 18.35 73.76 37.09 16.69 72.44 25.58 -17.25 -21.04 25.74 -16.50 -19.06 coo 29.81 8.06 73.13 30.21 10.11 72.95 35.39 -17.87 -27.45 36.78 -19.31 -28.08 coo 37.29 15.56 67.90 37.37 13.79 70.08 23.82 -22.13 -22.62 23.54 -22.15 -19.84 ULMN 3 1geq_c02 TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT user 2 3 # 2 A 36 GLU A 26 GLU^? 1000.00 A 47 ASP A 19 ASP~? 1000.00 A 161 TYR A 6 TYR^? 1000.00 coo 37.12 18.35 73.76 37.09 16.69 72.44 25.58 -17.25 -21.04 25.74 -16.50 -19.06 coo 29.81 8.06 73.13 30.21 10.11 72.95 29.74 -27.57 -15.65 30.35 -27.04 -13.70 coo 37.29 15.56 67.90 37.37 13.79 70.08 23.82 -22.13 -22.62 23.54 -22.15 -19.84 ULMN 3 1geq_c02 TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT user 3 3 # 3 A 36 GLU A 86 GLU^? 1000.00 A 47 ASP A 19 ASP~? 1000.00 A 161 TYR A 6 TYR^? 1000.00 coo 37.12 18.35 73.76 37.09 16.69 72.44 21.78 -27.43 -25.47 23.65 -28.43 -25.48 coo 29.81 8.06 73.13 30.21 10.11 72.95 29.74 -27.57 -15.65 30.35 -27.04 -13.70 coo 37.29 15.56 67.90 37.37 13.79 70.08 23.82 -22.13 -22.62 23.54 -22.15 -19.84 ULMN 3 1geq_c02 TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT user 4 3 # 4 A 36 GLU B 26 GLU^? 1000.00 A 47 ASP B 13 ASP^? 1000.00 A 161 TYR B 6 TYR^? 1000.00 coo 37.12 18.35 73.76 37.09 16.69 72.44 2.14 -30.76 -88.51 1.40 -30.52 -90.48 coo 29.81 8.06 73.13 30.21 10.11 72.95 -2.24 -39.57 -82.10 -1.69 -41.51 -81.47 coo 37.29 15.56 67.90 37.37 13.79 70.08 7.23 -31.69 -86.93 7.39 -31.46 -89.70 ULMN 3 1geq_c02 TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT user 5 3 # 5 A 36 GLU B 26 GLU^? 1000.00 A 47 ASP B 19 ASP^? 1000.00 A 161 TYR B 6 TYR^? 1000.00 coo 37.12 18.35 73.76 37.09 16.69 72.44 2.14 -30.76 -88.51 1.40 -30.52 -90.48 coo 29.81 8.06 73.13 30.21 10.11 72.95 8.97 -39.53 -93.90 8.21 -39.80 -95.86 coo 37.29 15.56 67.90 37.37 13.79 70.08 7.23 -31.69 -86.93 7.39 -31.46 -89.70 ULMN 3 1geq_c02 TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT user 6 3 # 6 A 36 GLU B 86 GLU^? 1000.00 A 47 ASP B 19 ASP^? 1000.00 A 161 TYR B 6 TYR^? 1000.00 coo 37.12 18.35 73.76 37.09 16.69 72.44 12.86 -32.58 -84.08 12.77 -34.69 -84.08 coo 29.81 8.06 73.13 30.21 10.11 72.95 8.97 -39.53 -93.90 8.21 -39.80 -95.86 coo 37.29 15.56 67.90 37.37 13.79 70.08 7.23 -31.69 -86.93 7.39 -31.46 -89.70 1geq_c02 source 1geq TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT : 6 hits 1geq_c02 naa= 3 ULMN 3 1geq_c03 TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT user 1 3 # 1 B 36 GLU A 26 GLU^? 1000.00 B 47 ASP A 13 ASP.? 1000.00 B 161 TYR A 6 TYR^? 1000.00 coo 53.87 35.49 53.22 55.44 35.72 54.61 25.58 -17.25 -21.04 25.74 -16.50 -19.06 coo 63.47 43.65 53.95 61.45 43.07 54.06 35.39 -17.87 -27.45 36.78 -19.31 -28.08 coo 56.38 35.81 59.19 58.25 35.77 57.10 23.82 -22.13 -22.62 23.54 -22.15 -19.84 ULMN 3 1geq_c03 TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT user 2 3 # 2 B 36 GLU A 26 GLU^? 1000.00 B 47 ASP A 19 ASP~? 1000.00 B 161 TYR A 6 TYR^? 1000.00 coo 53.87 35.49 53.22 55.44 35.72 54.61 25.58 -17.25 -21.04 25.74 -16.50 -19.06 coo 63.47 43.65 53.95 61.45 43.07 54.06 29.74 -27.57 -15.65 30.35 -27.04 -13.70 coo 56.38 35.81 59.19 58.25 35.77 57.10 23.82 -22.13 -22.62 23.54 -22.15 -19.84 ULMN 3 1geq_c03 TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT user 3 3 # 3 B 36 GLU A 86 GLU^? 1000.00 B 47 ASP A 19 ASP~? 1000.00 B 161 TYR A 6 TYR^? 1000.00 coo 53.87 35.49 53.22 55.44 35.72 54.61 21.78 -27.43 -25.47 23.65 -28.43 -25.48 coo 63.47 43.65 53.95 61.45 43.07 54.06 29.74 -27.57 -15.65 30.35 -27.04 -13.70 coo 56.38 35.81 59.19 58.25 35.77 57.10 23.82 -22.13 -22.62 23.54 -22.15 -19.84 ULMN 3 1geq_c03 TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT user 4 3 # 4 B 36 GLU B 26 GLU^? 1000.00 B 47 ASP B 13 ASP^? 1000.00 B 161 TYR B 6 TYR^? 1000.00 coo 53.87 35.49 53.22 55.44 35.72 54.61 2.14 -30.76 -88.51 1.40 -30.52 -90.48 coo 63.47 43.65 53.95 61.45 43.07 54.06 -2.24 -39.57 -82.10 -1.69 -41.51 -81.47 coo 56.38 35.81 59.19 58.25 35.77 57.10 7.23 -31.69 -86.93 7.39 -31.46 -89.70 ULMN 3 1geq_c03 TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT user 5 3 # 5 B 36 GLU B 26 GLU^? 1000.00 B 47 ASP B 19 ASP^? 1000.00 B 161 TYR B 6 TYR^? 1000.00 coo 53.87 35.49 53.22 55.44 35.72 54.61 2.14 -30.76 -88.51 1.40 -30.52 -90.48 coo 63.47 43.65 53.95 61.45 43.07 54.06 8.97 -39.53 -93.90 8.21 -39.80 -95.86 coo 56.38 35.81 59.19 58.25 35.77 57.10 7.23 -31.69 -86.93 7.39 -31.46 -89.70 ULMN 3 1geq_c03 TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT user 6 3 # 6 B 36 GLU B 86 GLU^? 1000.00 B 47 ASP B 19 ASP^? 1000.00 B 161 TYR B 6 TYR^? 1000.00 coo 53.87 35.49 53.22 55.44 35.72 54.61 12.86 -32.58 -84.08 12.77 -34.69 -84.08 coo 63.47 43.65 53.95 61.45 43.07 54.06 8.97 -39.53 -93.90 8.21 -39.80 -95.86 coo 56.38 35.81 59.19 58.25 35.77 57.10 7.23 -31.69 -86.93 7.39 -31.46 -89.70 1geq_c03 source 1geq TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT : 6 hits 1geq_c03 naa= 3 ULMN 3 1gz6_c00 ESTRADIOL 17 BETA-DEHYDROGENASE 4 user 1 3 # 1 A 151 SER A 16 SER.? 1000.00 A 164 TYR A 6 TYR^? 1000.00 A 168 LYS A 22 LYS~? 1000.00 coo 32.37 52.40 49.35 31.32 53.88 47.74 29.28 -18.48 -20.76 27.76 -20.30 -20.33 coo 29.69 55.04 42.83 31.98 53.56 43.49 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo 26.96 50.99 47.03 31.03 48.83 44.33 31.99 -23.27 -21.33 35.03 -27.43 -17.58 ULMN 3 1gz6_c00 ESTRADIOL 17 BETA-DEHYDROGENASE 4 user 2 3 # 2 A 151 SER A 156 SER^? 1000.00 A 164 TYR A 130 TYR^? 1000.00 A 168 LYS A 131 LYS^? 1000.00 coo 32.37 52.40 49.35 31.32 53.88 47.74 17.18 -29.56 -45.49 18.99 -29.97 -47.06 coo 29.69 55.04 42.83 31.98 53.56 43.49 19.24 -22.19 -40.85 16.56 -22.21 -40.14 coo 26.96 50.99 47.03 31.03 48.83 44.33 20.68 -24.51 -44.83 21.09 -22.52 -49.85 ULMN 3 1gz6_c00 ESTRADIOL 17 BETA-DEHYDROGENASE 4 user 3 3 # 3 A 151 SER B 16 SER^? 1000.00 A 164 TYR B 6 TYR^? 1000.00 A 168 LYS B 22 LYS^? 1000.00 coo 32.37 52.40 49.35 31.32 53.88 47.74 1.34 -34.60 -88.79 3.68 -34.16 -89.21 coo 29.69 55.04 42.83 31.98 53.56 43.49 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo 26.96 50.99 47.03 31.03 48.83 44.33 4.13 -39.33 -88.23 6.19 -44.05 -91.97 ULMN 3 1gz6_c00 ESTRADIOL 17 BETA-DEHYDROGENASE 4 user 4 3 # 4 A 151 SER B 156 SER^? 1000.00 A 164 TYR B 130 TYR^? 1000.00 A 168 LYS B 131 LYS^? 1000.00 coo 32.37 52.40 49.35 31.32 53.88 47.74 16.99 -29.67 -64.07 16.46 -31.46 -62.50 coo 29.69 55.04 42.83 31.98 53.56 43.49 9.59 -27.76 -68.70 10.95 -25.45 -69.40 coo 26.96 50.99 47.03 31.03 48.83 44.33 10.88 -30.17 -64.72 8.95 -29.51 -59.71 1gz6_c00 source 1gz6 ESTRADIOL 17 BETA-DEHYDROGENASE 4 : 4 hits 1gz6_c00 naa= 3 ULMN 3 1gz6_c01 ESTRADIOL 17 BETA-DEHYDROGENASE 4 user 1 3 # 1 B 151 SER A 16 SER.? 1000.00 B 164 TYR A 6 TYR^? 1000.00 B 168 LYS A 22 LYS~? 1000.00 coo 13.08 50.93 56.67 13.12 48.99 55.27 29.28 -18.48 -20.76 27.76 -20.30 -20.33 coo 11.52 46.03 51.32 10.06 47.90 52.76 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo 15.72 50.86 51.22 10.77 52.35 51.39 31.99 -23.27 -21.33 35.03 -27.43 -17.58 ULMN 3 1gz6_c01 ESTRADIOL 17 BETA-DEHYDROGENASE 4 user 2 3 # 2 B 151 SER A 156 SER^? 1000.00 B 164 TYR A 130 TYR^? 1000.00 B 168 LYS A 131 LYS^? 1000.00 coo 13.08 50.93 56.67 13.12 48.99 55.27 17.18 -29.56 -45.49 18.99 -29.97 -47.06 coo 11.52 46.03 51.32 10.06 47.90 52.76 19.24 -22.19 -40.85 16.56 -22.21 -40.14 coo 15.72 50.86 51.22 10.77 52.35 51.39 20.68 -24.51 -44.83 21.09 -22.52 -49.85 ULMN 3 1gz6_c01 ESTRADIOL 17 BETA-DEHYDROGENASE 4 user 3 3 # 3 B 151 SER B 16 SER^? 1000.00 B 164 TYR B 6 TYR^? 1000.00 B 168 LYS B 22 LYS^? 1000.00 coo 13.08 50.93 56.67 13.12 48.99 55.27 1.34 -34.60 -88.79 3.68 -34.16 -89.21 coo 11.52 46.03 51.32 10.06 47.90 52.76 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo 15.72 50.86 51.22 10.77 52.35 51.39 4.13 -39.33 -88.23 6.19 -44.05 -91.97 ULMN 3 1gz6_c01 ESTRADIOL 17 BETA-DEHYDROGENASE 4 user 4 3 # 4 B 151 SER B 156 SER^? 1000.00 B 164 TYR B 130 TYR^? 1000.00 B 168 LYS B 131 LYS^? 1000.00 coo 13.08 50.93 56.67 13.12 48.99 55.27 16.99 -29.67 -64.07 16.46 -31.46 -62.50 coo 11.52 46.03 51.32 10.06 47.90 52.76 9.59 -27.76 -68.70 10.95 -25.45 -69.40 coo 15.72 50.86 51.22 10.77 52.35 51.39 10.88 -30.17 -64.72 8.95 -29.51 -59.71 1gz6_c01 source 1gz6 ESTRADIOL 17 BETA-DEHYDROGENASE 4 : 4 hits 1gz6_c01 naa= 3 ULMN 3 1gz6_c02 ESTRADIOL 17 BETA-DEHYDROGENASE 4 user 1 3 # 1 C 151 SER A 16 SER.? 1000.00 C 164 TYR A 6 TYR^? 1000.00 C 168 LYS A 22 LYS~? 1000.00 coo 11.22 34.38 82.32 11.07 36.29 83.78 29.28 -18.48 -20.76 27.76 -20.30 -20.33 coo 8.83 39.27 87.38 7.60 37.43 85.69 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo 12.98 34.46 88.14 8.11 32.96 87.14 31.99 -23.27 -21.33 35.03 -27.43 -17.58 ULMN 3 1gz6_c02 ESTRADIOL 17 BETA-DEHYDROGENASE 4 user 2 3 # 2 C 151 SER A 156 SER^? 1000.00 C 164 TYR A 130 TYR^? 1000.00 C 168 LYS A 131 LYS^? 1000.00 coo 11.22 34.38 82.32 11.07 36.29 83.78 17.18 -29.56 -45.49 18.99 -29.97 -47.06 coo 8.83 39.27 87.38 7.60 37.43 85.69 19.24 -22.19 -40.85 16.56 -22.21 -40.14 coo 12.98 34.46 88.14 8.11 32.96 87.14 20.68 -24.51 -44.83 21.09 -22.52 -49.85 ULMN 3 1gz6_c02 ESTRADIOL 17 BETA-DEHYDROGENASE 4 user 3 3 # 3 C 151 SER B 16 SER^? 1000.00 C 164 TYR B 6 TYR^? 1000.00 C 168 LYS B 22 LYS^? 1000.00 coo 11.22 34.38 82.32 11.07 36.29 83.78 1.34 -34.60 -88.79 3.68 -34.16 -89.21 coo 8.83 39.27 87.38 7.60 37.43 85.69 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo 12.98 34.46 88.14 8.11 32.96 87.14 4.13 -39.33 -88.23 6.19 -44.05 -91.97 ULMN 3 1gz6_c02 ESTRADIOL 17 BETA-DEHYDROGENASE 4 user 4 3 # 4 C 151 SER B 156 SER^? 1000.00 C 164 TYR B 130 TYR^? 1000.00 C 168 LYS B 131 LYS^? 1000.00 coo 11.22 34.38 82.32 11.07 36.29 83.78 16.99 -29.67 -64.07 16.46 -31.46 -62.50 coo 8.83 39.27 87.38 7.60 37.43 85.69 9.59 -27.76 -68.70 10.95 -25.45 -69.40 coo 12.98 34.46 88.14 8.11 32.96 87.14 10.88 -30.17 -64.72 8.95 -29.51 -59.71 1gz6_c02 source 1gz6 ESTRADIOL 17 BETA-DEHYDROGENASE 4 : 4 hits 1gz6_c02 naa= 3 ULMN 3 1gz6_c03 ESTRADIOL 17 BETA-DEHYDROGENASE 4 user 1 3 # 1 D 151 SER A 16 SER.? 1000.00 D 164 TYR A 6 TYR^? 1000.00 D 168 LYS A 22 LYS~? 1000.00 coo 29.15 32.90 92.57 27.86 31.44 94.02 29.28 -18.48 -20.76 27.76 -20.30 -20.33 coo 25.49 30.28 98.59 27.88 31.73 98.26 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo 23.46 34.31 94.02 27.08 36.46 97.29 31.99 -23.27 -21.33 35.03 -27.43 -17.58 ULMN 3 1gz6_c03 ESTRADIOL 17 BETA-DEHYDROGENASE 4 user 2 3 # 2 D 151 SER A 156 SER^? 1000.00 D 164 TYR A 130 TYR^? 1000.00 D 168 LYS A 131 LYS^? 1000.00 coo 29.15 32.90 92.57 27.86 31.44 94.02 17.18 -29.56 -45.49 18.99 -29.97 -47.06 coo 25.49 30.28 98.59 27.88 31.73 98.26 19.24 -22.19 -40.85 16.56 -22.21 -40.14 coo 23.46 34.31 94.02 27.08 36.46 97.29 20.68 -24.51 -44.83 21.09 -22.52 -49.85 ULMN 3 1gz6_c03 ESTRADIOL 17 BETA-DEHYDROGENASE 4 user 3 3 # 3 D 151 SER B 16 SER^? 1000.00 D 164 TYR B 6 TYR^? 1000.00 D 168 LYS B 22 LYS^? 1000.00 coo 29.15 32.90 92.57 27.86 31.44 94.02 1.34 -34.60 -88.79 3.68 -34.16 -89.21 coo 25.49 30.28 98.59 27.88 31.73 98.26 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo 23.46 34.31 94.02 27.08 36.46 97.29 4.13 -39.33 -88.23 6.19 -44.05 -91.97 ULMN 3 1gz6_c03 ESTRADIOL 17 BETA-DEHYDROGENASE 4 user 4 3 # 4 D 151 SER B 156 SER^? 1000.00 D 164 TYR B 130 TYR^? 1000.00 D 168 LYS B 131 LYS^? 1000.00 coo 29.15 32.90 92.57 27.86 31.44 94.02 16.99 -29.67 -64.07 16.46 -31.46 -62.50 coo 25.49 30.28 98.59 27.88 31.73 98.26 9.59 -27.76 -68.70 10.95 -25.45 -69.40 coo 23.46 34.31 94.02 27.08 36.46 97.29 10.88 -30.17 -64.72 8.95 -29.51 -59.71 1gz6_c03 source 1gz6 ESTRADIOL 17 BETA-DEHYDROGENASE 4 : 4 hits 1gz6_c03 naa= 3 ULMN 3 1h2r_c00 PERIPLASMIC [NIFE] HYDROGENASE LARGEuser 1 3 # 1 S 18 THR A 60 THR^? 1000.00 L 34 GLU A 124 GLU^? 1000.00 L 546 CYH A 112 CYH^? 1000.00 coo 59.66 41.78 78.85 58.82 40.81 80.62 18.70 -12.02 -28.46 16.99 -10.77 -28.01 coo 58.67 42.52 83.67 60.77 42.68 84.14 24.17 -8.38 -29.24 26.07 -8.88 -30.07 coo 58.67 44.02 88.31 58.41 45.45 86.02 22.89 -3.13 -31.78 25.14 -2.79 -30.26 ULMN 3 1h2r_c00 PERIPLASMIC [NIFE] HYDROGENASE LARGEuser 2 3 # 2 S 18 THR B 60 THR^? 1000.00 L 34 GLU B 124 GLU^? 1000.00 L 546 CYH B 112 CYH^? 1000.00 coo 59.66 41.78 78.85 58.82 40.81 80.62 1.05 -22.19 -81.08 0.82 -20.10 -81.52 coo 58.67 42.52 83.67 60.77 42.68 84.14 -4.84 -25.10 -80.31 -5.35 -27.01 -79.49 coo 58.67 44.02 88.31 58.41 45.45 86.02 -8.76 -21.38 -77.75 -10.25 -23.14 -79.25 1h2r_c00 source 1h2r PERIPLASMIC [NIFE] HYDROGENASE LARGE SUBUNIT : 2 hits 1h2r_c00 naa= 3 ULMN 3 1i29_c03 CSDB user 1 3 # 1 A 128 VAL A 27 VAL^? 1000.00 A 200 ASP A 127 ASP^? 1000.00 A 226 LYS A 131 LYS^? 1000.00 coo 19.13 38.05 1.41 19.72 38.80 -0.53 21.22 -16.06 -25.04 20.43 -17.28 -26.68 coo 24.51 43.28 11.18 25.17 44.50 9.58 18.62 -12.41 -38.39 16.82 -11.65 -37.54 coo 34.47 51.09 7.19 28.58 51.18 7.53 20.68 -24.51 -44.83 21.09 -22.52 -49.85 ULMN 3 1i29_c03 CSDB user 2 3 # 2 A 128 VAL A 75 VAL^? 1000.00 A 200 ASP A 127 ASP^? 1000.00 A 226 LYS A 61 LYS^? 1000.00 coo 19.13 38.05 1.41 19.72 38.80 -0.53 29.21 -7.61 -43.40 30.10 -5.96 -42.29 coo 24.51 43.28 11.18 25.17 44.50 9.58 18.62 -12.41 -38.39 16.82 -11.65 -37.54 coo 34.47 51.09 7.19 28.58 51.18 7.53 21.64 -11.48 -26.11 26.63 -11.26 -28.52 ULMN 3 1i29_c03 CSDB user 3 3 # 3 A 128 VAL A 75 VAL^? 1000.00 A 200 ASP A 127 ASP^? 1000.00 A 226 LYS A 131 LYS^? 1000.00 coo 19.13 38.05 1.41 19.72 38.80 -0.53 29.21 -7.61 -43.40 30.10 -5.96 -42.29 coo 24.51 43.28 11.18 25.17 44.50 9.58 18.62 -12.41 -38.39 16.82 -11.65 -37.54 coo 34.47 51.09 7.19 28.58 51.18 7.53 20.68 -24.51 -44.83 21.09 -22.52 -49.85 ULMN 3 1i29_c03 CSDB user 4 3 # 4 A 128 VAL A 107 VAL^? 1000.00 A 200 ASP A 10 ASP.? 1000.00 A 226 LYS A 22 LYS~? 1000.00 coo 19.13 38.05 1.41 19.72 38.80 -0.53 24.71 -14.05 -39.90 25.58 -13.06 -38.16 coo 24.51 43.28 11.18 25.17 44.50 9.58 32.49 -23.60 -36.06 31.26 -25.30 -35.99 coo 34.47 51.09 7.19 28.58 51.18 7.53 31.99 -23.27 -21.33 35.03 -27.43 -17.58 ULMN 3 1i29_c03 CSDB user 5 3 # 5 A 128 VAL A 107 VAL^? 1000.00 A 200 ASP A 10 ASP.? 1000.00 A 226 LYS A 23 LYS.? 1000.00 coo 19.13 38.05 1.41 19.72 38.80 -0.53 24.71 -14.05 -39.90 25.58 -13.06 -38.16 coo 24.51 43.28 11.18 25.17 44.50 9.58 32.49 -23.60 -36.06 31.26 -25.30 -35.99 coo 34.47 51.09 7.19 28.58 51.18 7.53 32.67 -20.15 -23.43 38.88 -20.02 -24.22 ULMN 3 1i29_c03 CSDB user 6 3 # 6 A 128 VAL B 27 VAL^? 1000.00 A 200 ASP B 127 ASP^? 1000.00 A 226 LYS B 131 LYS^? 1000.00 coo 19.13 38.05 1.41 19.72 38.80 -0.53 3.28 -26.40 -84.50 4.73 -26.33 -82.85 coo 24.51 43.28 11.18 25.17 44.50 9.58 1.44 -22.32 -71.15 1.70 -20.39 -72.00 coo 34.47 51.09 7.19 28.58 51.18 7.53 10.88 -30.17 -64.72 8.95 -29.51 -59.71 ULMN 3 1i29_c03 CSDB user 7 3 # 7 A 128 VAL B 75 VAL^? 1000.00 A 200 ASP B 127 ASP^? 1000.00 A 226 LYS B 61 LYS^? 1000.00 coo 19.13 38.05 1.41 19.72 38.80 -0.53 -8.02 -29.10 -66.15 -9.89 -29.04 -67.26 coo 24.51 43.28 11.18 25.17 44.50 9.58 1.44 -22.32 -71.15 1.70 -20.39 -72.00 coo 34.47 51.09 7.19 28.58 51.18 7.53 -0.89 -24.47 -83.43 -3.57 -28.69 -81.00 ULMN 3 1i29_c03 CSDB user 8 3 # 8 A 128 VAL B 75 VAL^? 1000.00 A 200 ASP B 127 ASP^? 1000.00 A 226 LYS B 131 LYS^? 1000.00 coo 19.13 38.05 1.41 19.72 38.80 -0.53 -8.02 -29.10 -66.15 -9.89 -29.04 -67.26 coo 24.51 43.28 11.18 25.17 44.50 9.58 1.44 -22.32 -71.15 1.70 -20.39 -72.00 coo 34.47 51.09 7.19 28.58 51.18 7.53 10.88 -30.17 -64.72 8.95 -29.51 -59.71 ULMN 3 1i29_c03 CSDB user 9 3 # 9 A 128 VAL B 107 VAL^? 1000.00 A 200 ASP B 10 ASP^? 1000.00 A 226 LYS B 22 LYS^? 1000.00 coo 19.13 38.05 1.41 19.72 38.80 -0.53 -0.19 -28.42 -69.64 -1.50 -28.68 -71.37 coo 24.51 43.28 11.18 25.17 44.50 9.58 4.17 -39.92 -73.48 6.27 -39.73 -73.56 coo 34.47 51.09 7.19 28.58 51.18 7.53 4.13 -39.33 -88.23 6.19 -44.05 -91.97 ULMN 3 1i29_c03 CSDB user 10 3 # 10 A 128 VAL B 107 VAL^? 1000.00 A 200 ASP B 10 ASP^? 1000.00 A 226 LYS B 23 LYS^? 1000.00 coo 19.13 38.05 1.41 19.72 38.80 -0.53 -0.19 -28.42 -69.64 -1.50 -28.68 -71.37 coo 24.51 43.28 11.18 25.17 44.50 9.58 4.17 -39.92 -73.48 6.27 -39.73 -73.56 coo 34.47 51.09 7.19 28.58 51.18 7.53 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 1i29_c03 source 1i29 CSDB : 10 hits 1i29_c03 naa= 3 ULMN 3 1idt_c00 MINOR FMN-DEPENDENT NITROREDUCTASE user 1 3 # 1 A 14 LYS A 8 LYS^? 1000.00 A 74 LYS A 23 LYS.? 1000.00 A 165 GLU A 124 GLU^? 1000.00 coo 25.34 -34.49 45.28 21.58 -36.23 48.72 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 27.69 -28.18 47.27 24.45 -33.01 49.69 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 15.58 -28.67 55.46 14.00 -29.94 56.12 24.17 -8.38 -29.24 26.07 -8.88 -30.07 ULMN 3 1idt_c00 MINOR FMN-DEPENDENT NITROREDUCTASE user 2 3 # 2 A 14 LYS A 11 LYS.? 1000.00 A 74 LYS A 8 LYS^? 1000.00 A 165 GLU A 15 GLU.? 1000.00 coo 25.34 -34.49 45.28 21.58 -36.23 48.72 35.58 -20.94 -33.59 38.95 -22.16 -38.38 coo 27.69 -28.18 47.27 24.45 -33.01 49.69 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 15.58 -28.67 55.46 14.00 -29.94 56.12 31.83 -13.52 -21.46 31.81 -11.49 -22.03 ULMN 3 1idt_c00 MINOR FMN-DEPENDENT NITROREDUCTASE user 3 3 # 3 A 14 LYS A 23 LYS.? 1000.00 A 74 LYS A 8 LYS^? 1000.00 A 165 GLU A 124 GLU^? 1000.00 coo 25.34 -34.49 45.28 21.58 -36.23 48.72 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 27.69 -28.18 47.27 24.45 -33.01 49.69 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 15.58 -28.67 55.46 14.00 -29.94 56.12 24.17 -8.38 -29.24 26.07 -8.88 -30.07 ULMN 3 1idt_c00 MINOR FMN-DEPENDENT NITROREDUCTASE user 4 3 # 4 A 14 LYS B 8 LYS^? 1000.00 A 74 LYS B 23 LYS^? 1000.00 A 165 GLU B 124 GLU^? 1000.00 coo 25.34 -34.49 45.28 21.58 -36.23 48.72 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 27.69 -28.18 47.27 24.45 -33.01 49.69 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 15.58 -28.67 55.46 14.00 -29.94 56.12 -4.84 -25.10 -80.31 -5.35 -27.01 -79.49 ULMN 3 1idt_c00 MINOR FMN-DEPENDENT NITROREDUCTASE user 5 3 # 5 A 14 LYS B 11 LYS^? 1000.00 A 74 LYS B 8 LYS^? 1000.00 A 165 GLU B 15 GLU^? 1000.00 coo 25.34 -34.49 45.28 21.58 -36.23 48.72 0.33 -41.28 -75.95 -0.30 -44.81 -71.18 coo 27.69 -28.18 47.27 24.45 -33.01 49.69 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 15.58 -28.67 55.46 14.00 -29.94 56.12 -4.24 -34.31 -88.08 -5.97 -33.27 -87.50 ULMN 3 1idt_c00 MINOR FMN-DEPENDENT NITROREDUCTASE user 6 3 # 6 A 14 LYS B 23 LYS^? 1000.00 A 74 LYS B 8 LYS^? 1000.00 A 165 GLU B 124 GLU^? 1000.00 coo 25.34 -34.49 45.28 21.58 -36.23 48.72 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 27.69 -28.18 47.27 24.45 -33.01 49.69 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 15.58 -28.67 55.46 14.00 -29.94 56.12 -4.84 -25.10 -80.31 -5.35 -27.01 -79.49 1idt_c00 source 1idt MINOR FMN-DEPENDENT NITROREDUCTASE : 6 hits 1idt_c00 naa= 3 ULMN 3 1idt_c01 MINOR FMN-DEPENDENT NITROREDUCTASE user 1 3 # 1 B 14 LYS A 8 LYS^? 1000.00 B 74 LYS A 23 LYS.? 1000.00 B 165 GLU A 124 GLU^? 1000.00 coo -11.70 -18.16 41.28 -8.37 -16.95 44.27 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo -14.25 -24.10 43.55 -12.53 -18.94 44.42 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo -3.83 -22.11 54.11 -2.14 -20.82 54.20 24.17 -8.38 -29.24 26.07 -8.88 -30.07 ULMN 3 1idt_c01 MINOR FMN-DEPENDENT NITROREDUCTASE user 2 3 # 2 B 14 LYS A 23 LYS.? 1000.00 B 74 LYS A 8 LYS^? 1000.00 B 165 GLU A 124 GLU^? 1000.00 coo -11.70 -18.16 41.28 -8.37 -16.95 44.27 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo -14.25 -24.10 43.55 -12.53 -18.94 44.42 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo -3.83 -22.11 54.11 -2.14 -20.82 54.20 24.17 -8.38 -29.24 26.07 -8.88 -30.07 ULMN 3 1idt_c01 MINOR FMN-DEPENDENT NITROREDUCTASE user 3 3 # 3 B 14 LYS B 8 LYS^? 1000.00 B 74 LYS B 23 LYS^? 1000.00 B 165 GLU B 124 GLU^? 1000.00 coo -11.70 -18.16 41.28 -8.37 -16.95 44.27 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo -14.25 -24.10 43.55 -12.53 -18.94 44.42 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo -3.83 -22.11 54.11 -2.14 -20.82 54.20 -4.84 -25.10 -80.31 -5.35 -27.01 -79.49 ULMN 3 1idt_c01 MINOR FMN-DEPENDENT NITROREDUCTASE user 4 3 # 4 B 14 LYS B 23 LYS^? 1000.00 B 74 LYS B 8 LYS^? 1000.00 B 165 GLU B 124 GLU^? 1000.00 coo -11.70 -18.16 41.28 -8.37 -16.95 44.27 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo -14.25 -24.10 43.55 -12.53 -18.94 44.42 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo -3.83 -22.11 54.11 -2.14 -20.82 54.20 -4.84 -25.10 -80.31 -5.35 -27.01 -79.49 1idt_c01 source 1idt MINOR FMN-DEPENDENT NITROREDUCTASE : 4 hits 1idt_c01 naa= 3 ULMN 3 1inp_c02 INOSITOL POLYPHOSPHATE 1-PHOSPHATASEuser 1 3 # 1 54 ASP A 18 ASP~? 1000.00 158 THR A 5 THR^? 1000.00 317 ASP A 64 ASP^? 1000.00 coo -2.63 8.40 35.07 -3.66 9.81 36.17 26.87 -23.27 -16.72 26.31 -23.96 -18.62 coo -5.30 12.75 41.86 -4.34 13.05 39.99 19.47 -20.80 -23.49 17.87 -20.32 -24.84 coo -12.63 17.64 33.66 -10.65 17.90 34.40 29.43 -11.47 -24.77 28.22 -12.20 -26.29 ULMN 3 1inp_c02 INOSITOL POLYPHOSPHATE 1-PHOSPHATASEuser 2 3 # 2 54 ASP A 19 ASP~? 1000.00 158 THR A 17 THR.? 1000.00 317 ASP A 4 ASP^? 1000.00 coo -2.63 8.40 35.07 -3.66 9.81 36.17 29.74 -27.57 -15.65 30.35 -27.04 -13.70 coo -5.30 12.75 41.86 -4.34 13.05 39.99 30.54 -20.11 -17.59 31.12 -18.60 -16.20 coo -12.63 17.64 33.66 -10.65 17.90 34.40 19.46 -21.33 -18.77 18.88 -20.63 -16.86 ULMN 3 1inp_c02 INOSITOL POLYPHOSPHATE 1-PHOSPHATASEuser 3 3 # 3 54 ASP B 18 ASP^? 1000.00 158 THR B 5 THR^? 1000.00 317 ASP B 64 ASP^? 1000.00 coo -2.63 8.40 35.07 -3.66 9.81 36.17 6.68 -34.89 -92.82 7.57 -34.75 -90.92 coo -5.30 12.75 41.86 -4.34 13.05 39.99 8.27 -27.26 -86.05 8.66 -25.65 -84.68 coo -12.63 17.64 33.66 -10.65 17.90 34.40 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 ULMN 3 1inp_c02 INOSITOL POLYPHOSPHATE 1-PHOSPHATASEuser 4 3 # 4 54 ASP B 19 ASP^? 1000.00 158 THR B 17 THR^? 1000.00 317 ASP B 4 ASP^? 1000.00 coo -2.63 8.40 35.07 -3.66 9.81 36.17 8.97 -39.53 -93.90 8.21 -39.80 -95.86 coo -5.30 12.75 41.86 -4.34 13.05 39.99 2.13 -36.50 -91.95 0.52 -36.25 -93.35 coo -12.63 17.64 33.66 -10.65 17.90 34.40 8.72 -27.52 -90.78 8.40 -26.67 -92.69 1inp_c02 source 1inp INOSITOL POLYPHOSPHATE 1-PHOSPHATASE (1-PTASE): 4 hits 1inp_c02 naa= 3 ULMN 3 1itx_c00 GLYCOSYL HYDROLASE user 1 3 # 1 A 202 ASP A 64 ASP^? 1000.00 A 204 GLU A 15 GLU.? 1000.00 A 279 TYR A 6 TYR^? 1000.00 coo 5.85 5.60 30.32 5.00 7.49 29.88 29.43 -11.47 -24.77 28.22 -12.20 -26.29 coo 7.79 1.83 27.81 9.08 3.25 26.92 31.83 -13.52 -21.46 31.81 -11.49 -22.03 coo 8.22 7.77 18.64 7.58 8.47 21.28 23.82 -22.13 -22.62 23.54 -22.15 -19.84 ULMN 3 1itx_c00 GLYCOSYL HYDROLASE user 2 3 # 2 A 202 ASP B 64 ASP^? 1000.00 A 204 GLU B 15 GLU^? 1000.00 A 279 TYR B 6 TYR^? 1000.00 coo 5.85 5.60 30.32 5.00 7.49 29.88 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 coo 7.79 1.83 27.81 9.08 3.25 26.92 -4.24 -34.31 -88.08 -5.97 -33.27 -87.50 coo 8.22 7.77 18.64 7.58 8.47 21.28 7.23 -31.69 -86.93 7.39 -31.46 -89.70 1itx_c00 source 1itx GLYCOSYL HYDROLASE : 2 hits 1itx_c00 naa= 3 ULMN 3 1j53_c00 DNA POLYMERASE III, EPSILON CHAIN user 1 3 # 1 A 14 GLU A 132 GLU^? 1000.00 A 61 GLU A 84 GLU^? 1000.00 A 162 HIS A 104 HIS^? 1000.00 coo -1.50 25.58 -6.20 -2.54 26.76 -4.79 20.64 -28.88 -44.45 21.91 -30.49 -44.99 coo -4.89 20.85 5.22 -3.95 21.69 6.91 25.54 -27.52 -32.09 27.26 -28.36 -31.17 coo -7.53 27.82 -3.33 -8.58 28.59 -1.68 26.00 -25.83 -44.92 27.18 -27.45 -45.56 ULMN 3 1j53_c00 DNA POLYMERASE III, EPSILON CHAIN user 2 3 # 2 A 14 GLU B 132 GLU^? 1000.00 A 61 GLU B 84 GLU^? 1000.00 A 162 HIS B 104 HIS^? 1000.00 coo -1.50 25.58 -6.20 -2.54 26.76 -4.79 14.68 -32.32 -65.10 15.44 -34.22 -64.57 coo -4.89 20.85 5.22 -3.95 21.69 6.91 11.05 -35.89 -77.46 10.93 -37.79 -78.39 coo -7.53 27.82 -3.33 -8.58 28.59 -1.68 9.35 -35.44 -64.63 10.17 -37.27 -64.00 1j53_c00 source 1j53 DNA POLYMERASE III, EPSILON CHAIN : 2 hits 1j53_c00 naa= 3 ULMN 3 1jdw_c01 L-ARGININE-GLYCINE AMIDINOTRANSFERASuser 1 3 # 1 254 ASP A 18 ASP~? 1000.00 303 HIS A 21 HIS~? 1000.00 407 CYH A 88 CYH^? 1000.00 coo 49.08 66.55 9.14 50.71 67.89 8.88 26.87 -23.27 -16.72 26.31 -23.96 -18.62 coo 47.11 68.57 13.19 49.07 68.74 12.45 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo 49.32 64.84 19.61 47.95 67.13 18.88 18.68 -26.29 -20.51 21.30 -26.44 -21.57 ULMN 3 1jdw_c01 L-ARGININE-GLYCINE AMIDINOTRANSFERASuser 2 3 # 2 254 ASP B 18 ASP^? 1000.00 303 HIS B 21 HIS^? 1000.00 407 CYH B 88 CYH^? 1000.00 coo 49.08 66.55 9.14 50.71 67.89 8.88 6.68 -34.89 -92.82 7.57 -34.75 -90.92 coo 47.11 68.57 13.19 49.07 68.74 12.45 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo 49.32 64.84 19.61 47.95 67.13 18.88 13.42 -29.32 -89.04 12.25 -31.64 -87.96 1jdw_c01 source 1jdw L-ARGININE-GLYCINE AMIDINOTRANSFERASE : 2 hits 1jdw_c01 naa= 3 ULMN 3 1js4_c00 ENDO-EXOCELLULASE E4 user 1 3 # 1 A 55 ASP A 4 ASP^? 1000.00 A 58 ASP A 18 ASP~? 1000.00 A 424 GLU A 26 GLU^? 1000.00 coo 58.42 47.76 20.67 58.01 49.10 19.12 19.46 -21.33 -18.77 18.88 -20.63 -16.86 coo 58.59 41.80 18.81 58.94 43.89 18.94 26.87 -23.27 -16.72 26.31 -23.96 -18.62 coo 52.85 46.34 13.34 54.09 44.97 14.42 25.58 -17.25 -21.04 25.74 -16.50 -19.06 ULMN 3 1js4_c00 ENDO-EXOCELLULASE E4 user 2 3 # 2 A 55 ASP A 4 ASP^? 1000.00 A 58 ASP A 18 ASP~? 1000.00 A 424 GLU A 86 GLU^? 1000.00 coo 58.42 47.76 20.67 58.01 49.10 19.12 19.46 -21.33 -18.77 18.88 -20.63 -16.86 coo 58.59 41.80 18.81 58.94 43.89 18.94 26.87 -23.27 -16.72 26.31 -23.96 -18.62 coo 52.85 46.34 13.34 54.09 44.97 14.42 21.78 -27.43 -25.47 23.65 -28.43 -25.48 ULMN 3 1js4_c00 ENDO-EXOCELLULASE E4 user 3 3 # 3 A 55 ASP A 18 ASP~? 1000.00 A 58 ASP A 4 ASP^? 1000.00 A 424 GLU A 26 GLU^? 1000.00 coo 58.42 47.76 20.67 58.01 49.10 19.12 26.87 -23.27 -16.72 26.31 -23.96 -18.62 coo 58.59 41.80 18.81 58.94 43.89 18.94 19.46 -21.33 -18.77 18.88 -20.63 -16.86 coo 52.85 46.34 13.34 54.09 44.97 14.42 25.58 -17.25 -21.04 25.74 -16.50 -19.06 ULMN 3 1js4_c00 ENDO-EXOCELLULASE E4 user 4 3 # 4 A 55 ASP A 18 ASP~? 1000.00 A 58 ASP A 4 ASP^? 1000.00 A 424 GLU A 86 GLU^? 1000.00 coo 58.42 47.76 20.67 58.01 49.10 19.12 26.87 -23.27 -16.72 26.31 -23.96 -18.62 coo 58.59 41.80 18.81 58.94 43.89 18.94 19.46 -21.33 -18.77 18.88 -20.63 -16.86 coo 52.85 46.34 13.34 54.09 44.97 14.42 21.78 -27.43 -25.47 23.65 -28.43 -25.48 ULMN 3 1js4_c00 ENDO-EXOCELLULASE E4 user 5 3 # 5 A 55 ASP B 4 ASP^? 1000.00 A 58 ASP B 18 ASP^? 1000.00 A 424 GLU B 26 GLU^? 1000.00 coo 58.42 47.76 20.67 58.01 49.10 19.12 8.72 -27.52 -90.78 8.40 -26.67 -92.69 coo 58.59 41.80 18.81 58.94 43.89 18.94 6.68 -34.89 -92.82 7.57 -34.75 -90.92 coo 52.85 46.34 13.34 54.09 44.97 14.42 2.14 -30.76 -88.51 1.40 -30.52 -90.48 ULMN 3 1js4_c00 ENDO-EXOCELLULASE E4 user 6 3 # 6 A 55 ASP B 4 ASP^? 1000.00 A 58 ASP B 18 ASP^? 1000.00 A 424 GLU B 86 GLU^? 1000.00 coo 58.42 47.76 20.67 58.01 49.10 19.12 8.72 -27.52 -90.78 8.40 -26.67 -92.69 coo 58.59 41.80 18.81 58.94 43.89 18.94 6.68 -34.89 -92.82 7.57 -34.75 -90.92 coo 52.85 46.34 13.34 54.09 44.97 14.42 12.86 -32.58 -84.08 12.77 -34.69 -84.08 ULMN 3 1js4_c00 ENDO-EXOCELLULASE E4 user 7 3 # 7 A 55 ASP B 18 ASP^? 1000.00 A 58 ASP B 4 ASP^? 1000.00 A 424 GLU B 26 GLU^? 1000.00 coo 58.42 47.76 20.67 58.01 49.10 19.12 6.68 -34.89 -92.82 7.57 -34.75 -90.92 coo 58.59 41.80 18.81 58.94 43.89 18.94 8.72 -27.52 -90.78 8.40 -26.67 -92.69 coo 52.85 46.34 13.34 54.09 44.97 14.42 2.14 -30.76 -88.51 1.40 -30.52 -90.48 ULMN 3 1js4_c00 ENDO-EXOCELLULASE E4 user 8 3 # 8 A 55 ASP B 18 ASP^? 1000.00 A 58 ASP B 4 ASP^? 1000.00 A 424 GLU B 86 GLU^? 1000.00 coo 58.42 47.76 20.67 58.01 49.10 19.12 6.68 -34.89 -92.82 7.57 -34.75 -90.92 coo 58.59 41.80 18.81 58.94 43.89 18.94 8.72 -27.52 -90.78 8.40 -26.67 -92.69 coo 52.85 46.34 13.34 54.09 44.97 14.42 12.86 -32.58 -84.08 12.77 -34.69 -84.08 1js4_c00 source 1js4 ENDO-EXOCELLULASE E4 : 8 hits 1js4_c00 naa= 3 ULMN 3 1js4_c01 ENDO-EXOCELLULASE E4 user 1 3 # 1 B 55 ASP A 4 ASP^? 1000.00 B 58 ASP A 18 ASP~? 1000.00 B 424 GLU A 26 GLU^? 1000.00 coo 112.10 61.46 19.99 111.82 60.65 18.07 19.46 -21.33 -18.77 18.88 -20.63 -16.86 coo 117.85 63.62 21.08 115.96 63.25 20.18 26.87 -23.27 -16.72 26.31 -23.96 -18.62 coo 118.47 57.23 15.57 119.32 58.77 16.73 25.58 -17.25 -21.04 25.74 -16.50 -19.06 ULMN 3 1js4_c01 ENDO-EXOCELLULASE E4 user 2 3 # 2 B 55 ASP A 18 ASP~? 1000.00 B 58 ASP A 4 ASP^? 1000.00 B 424 GLU A 26 GLU^? 1000.00 coo 112.10 61.46 19.99 111.82 60.65 18.07 26.87 -23.27 -16.72 26.31 -23.96 -18.62 coo 117.85 63.62 21.08 115.96 63.25 20.18 19.46 -21.33 -18.77 18.88 -20.63 -16.86 coo 118.47 57.23 15.57 119.32 58.77 16.73 25.58 -17.25 -21.04 25.74 -16.50 -19.06 ULMN 3 1js4_c01 ENDO-EXOCELLULASE E4 user 3 3 # 3 B 55 ASP B 4 ASP^? 1000.00 B 58 ASP B 18 ASP^? 1000.00 B 424 GLU B 26 GLU^? 1000.00 coo 112.10 61.46 19.99 111.82 60.65 18.07 8.72 -27.52 -90.78 8.40 -26.67 -92.69 coo 117.85 63.62 21.08 115.96 63.25 20.18 6.68 -34.89 -92.82 7.57 -34.75 -90.92 coo 118.47 57.23 15.57 119.32 58.77 16.73 2.14 -30.76 -88.51 1.40 -30.52 -90.48 ULMN 3 1js4_c01 ENDO-EXOCELLULASE E4 user 4 3 # 4 B 55 ASP B 18 ASP^? 1000.00 B 58 ASP B 4 ASP^? 1000.00 B 424 GLU B 26 GLU^? 1000.00 coo 112.10 61.46 19.99 111.82 60.65 18.07 6.68 -34.89 -92.82 7.57 -34.75 -90.92 coo 117.85 63.62 21.08 115.96 63.25 20.18 8.72 -27.52 -90.78 8.40 -26.67 -92.69 coo 118.47 57.23 15.57 119.32 58.77 16.73 2.14 -30.76 -88.51 1.40 -30.52 -90.48 1js4_c01 source 1js4 ENDO-EXOCELLULASE E4 : 4 hits 1js4_c01 naa= 3 ULMN 3 1jxa_c02 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 1 3 # 1 A 1 CYH A 38 CYH.? 1000.00 A 98 ASN A 36 ASN^? 1000.00 A 99 GLY A 35 GLY^? 1000.00 coo -28.39 5.74 -1.35 -27.45 6.62 -3.77 -1.23 -24.94 -47.20 -2.69 -27.16 -46.35 coo -31.76 2.35 -3.84 -31.22 3.45 -2.16 4.01 -26.37 -45.94 2.34 -27.21 -44.98 coo -29.05 1.23 -7.23 -29.18 1.88 -7.63 5.53 -24.22 -42.04 6.16 -24.06 -42.59 ULMN 3 1jxa_c02 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 2 3 # 2 A 1 CYH A 38 CYH.? 1000.00 A 98 ASN A 36 ASN^? 1000.00 A 99 GLY A 50 GLY.? 1000.00 coo -28.39 5.74 -1.35 -27.45 6.62 -3.77 -1.23 -24.94 -47.20 -2.69 -27.16 -46.35 coo -31.76 2.35 -3.84 -31.22 3.45 -2.16 4.01 -26.37 -45.94 2.34 -27.21 -44.98 coo -29.05 1.23 -7.23 -29.18 1.88 -7.63 2.97 -27.10 -51.73 3.20 -27.54 -51.07 ULMN 3 1jxa_c02 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 3 3 # 3 A 1 CYH B 38 CYH^? 1000.00 A 98 ASN B 36 ASN^? 1000.00 A 99 GLY B 35 GLY^? 1000.00 coo -28.39 5.74 -1.35 -27.45 6.62 -3.77 22.25 -11.43 -62.34 24.89 -11.25 -63.24 coo -31.76 2.35 -3.84 -31.22 3.45 -2.16 20.84 -16.68 -63.62 22.42 -15.65 -64.57 coo -29.05 1.23 -7.23 -29.18 1.88 -7.63 18.19 -16.89 -67.51 17.74 -17.36 -66.95 ULMN 3 1jxa_c02 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 4 3 # 4 A 1 CYH B 38 CYH^? 1000.00 A 98 ASN B 36 ASN^? 1000.00 A 99 GLY B 50 GLY^? 1000.00 coo -28.39 5.74 -1.35 -27.45 6.62 -3.77 22.25 -11.43 -62.34 24.89 -11.25 -63.24 coo -31.76 2.35 -3.84 -31.22 3.45 -2.16 20.84 -16.68 -63.62 22.42 -15.65 -64.57 coo -29.05 1.23 -7.23 -29.18 1.88 -7.63 21.98 -16.14 -57.82 22.26 -16.57 -58.48 1jxa_c02 source 1jxa GLUCOSAMINE 6-PHOSPHATE SYNTHASE : 4 hits 1jxa_c02 naa= 3 ULMN 3 1jxa_c03 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 1 3 # 1 B 1 CYH A 38 CYH.? 1000.00 B 98 ASN A 36 ASN^? 1000.00 B 99 GLY A 35 GLY^? 1000.00 coo 5.70 59.29 33.36 6.39 60.24 35.89 -1.23 -24.94 -47.20 -2.69 -27.16 -46.35 coo 7.58 64.91 33.71 8.60 63.38 34.75 4.01 -26.37 -45.94 2.34 -27.21 -44.98 coo 6.08 65.78 38.20 5.37 65.61 37.90 5.53 -24.22 -42.04 6.16 -24.06 -42.59 ULMN 3 1jxa_c03 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 2 3 # 2 B 1 CYH A 38 CYH.? 1000.00 B 98 ASN A 36 ASN^? 1000.00 B 99 GLY A 50 GLY.? 1000.00 coo 5.70 59.29 33.36 6.39 60.24 35.89 -1.23 -24.94 -47.20 -2.69 -27.16 -46.35 coo 7.58 64.91 33.71 8.60 63.38 34.75 4.01 -26.37 -45.94 2.34 -27.21 -44.98 coo 6.08 65.78 38.20 5.37 65.61 37.90 2.97 -27.10 -51.73 3.20 -27.54 -51.07 ULMN 3 1jxa_c03 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 3 3 # 3 B 1 CYH B 38 CYH^? 1000.00 B 98 ASN B 36 ASN^? 1000.00 B 99 GLY B 35 GLY^? 1000.00 coo 5.70 59.29 33.36 6.39 60.24 35.89 22.25 -11.43 -62.34 24.89 -11.25 -63.24 coo 7.58 64.91 33.71 8.60 63.38 34.75 20.84 -16.68 -63.62 22.42 -15.65 -64.57 coo 6.08 65.78 38.20 5.37 65.61 37.90 18.19 -16.89 -67.51 17.74 -17.36 -66.95 ULMN 3 1jxa_c03 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 4 3 # 4 B 1 CYH B 38 CYH^? 1000.00 B 98 ASN B 36 ASN^? 1000.00 B 99 GLY B 50 GLY^? 1000.00 coo 5.70 59.29 33.36 6.39 60.24 35.89 22.25 -11.43 -62.34 24.89 -11.25 -63.24 coo 7.58 64.91 33.71 8.60 63.38 34.75 20.84 -16.68 -63.62 22.42 -15.65 -64.57 coo 6.08 65.78 38.20 5.37 65.61 37.90 21.98 -16.14 -57.82 22.26 -16.57 -58.48 1jxa_c03 source 1jxa GLUCOSAMINE 6-PHOSPHATE SYNTHASE : 4 hits 1jxa_c03 naa= 3 ULMN 3 1jxa_c04 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 1 3 # 1 C 1 CYH A 38 CYH.? 1000.00 C 98 ASN A 36 ASN^? 1000.00 C 99 GLY A 50 GLY.? 1000.00 coo 4.88 17.74 73.58 7.14 19.23 72.93 -1.23 -24.94 -47.20 -2.69 -27.16 -46.35 coo 8.21 16.91 78.64 7.09 18.75 78.67 4.01 -26.37 -45.94 2.34 -27.21 -44.98 coo 11.04 18.39 74.90 10.95 17.56 74.65 2.97 -27.10 -51.73 3.20 -27.54 -51.07 ULMN 3 1jxa_c04 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 2 3 # 2 C 1 CYH B 38 CYH^? 1000.00 C 98 ASN B 36 ASN^? 1000.00 C 99 GLY B 50 GLY^? 1000.00 coo 4.88 17.74 73.58 7.14 19.23 72.93 22.25 -11.43 -62.34 24.89 -11.25 -63.24 coo 8.21 16.91 78.64 7.09 18.75 78.67 20.84 -16.68 -63.62 22.42 -15.65 -64.57 coo 11.04 18.39 74.90 10.95 17.56 74.65 21.98 -16.14 -57.82 22.26 -16.57 -58.48 1jxa_c04 source 1jxa GLUCOSAMINE 6-PHOSPHATE SYNTHASE : 2 hits 1jxa_c04 naa= 3 ULMN 3 1kqc_c00 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 1 3 # 1 A 14 LYS A 8 LYS^? 1000.00 A 74 LYS A 23 LYS.? 1000.00 A 165 GLU A 124 GLU^? 1000.00 coo 24.97 5.82 58.78 26.79 1.97 55.46 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 19.46 3.44 61.93 23.95 1.12 60.13 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 19.32 -6.09 50.65 20.51 -6.62 48.98 24.17 -8.38 -29.24 26.07 -8.88 -30.07 ULMN 3 1kqc_c00 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 2 3 # 2 A 14 LYS A 23 LYS.? 1000.00 A 74 LYS A 8 LYS^? 1000.00 A 165 GLU A 124 GLU^? 1000.00 coo 24.97 5.82 58.78 26.79 1.97 55.46 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 19.46 3.44 61.93 23.95 1.12 60.13 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 19.32 -6.09 50.65 20.51 -6.62 48.98 24.17 -8.38 -29.24 26.07 -8.88 -30.07 ULMN 3 1kqc_c00 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 3 3 # 3 A 14 LYS B 8 LYS^? 1000.00 A 74 LYS B 23 LYS^? 1000.00 A 165 GLU B 124 GLU^? 1000.00 coo 24.97 5.82 58.78 26.79 1.97 55.46 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 19.46 3.44 61.93 23.95 1.12 60.13 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 19.32 -6.09 50.65 20.51 -6.62 48.98 -4.84 -25.10 -80.31 -5.35 -27.01 -79.49 ULMN 3 1kqc_c00 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 4 3 # 4 A 14 LYS B 23 LYS^? 1000.00 A 74 LYS B 8 LYS^? 1000.00 A 165 GLU B 124 GLU^? 1000.00 coo 24.97 5.82 58.78 26.79 1.97 55.46 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 19.46 3.44 61.93 23.95 1.12 60.13 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 19.32 -6.09 50.65 20.51 -6.62 48.98 -4.84 -25.10 -80.31 -5.35 -27.01 -79.49 1kqc_c00 source 1kqc OXYGEN-INSENSITIVE NAD(P)H NITROREDUCTASE : 4 hits 1kqc_c00 naa= 3 ULMN 3 1kqc_c03 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 1 3 # 1 D 14 LYS A 8 LYS^? 1000.00 D 74 LYS A 23 LYS.? 1000.00 D 165 GLU A 124 GLU^? 1000.00 coo -2.23 43.20 -8.84 -3.98 39.03 -6.02 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 3.33 41.47 -12.31 -1.15 38.64 -10.07 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 3.51 30.30 -2.73 2.31 29.63 -1.11 24.17 -8.38 -29.24 26.07 -8.88 -30.07 ULMN 3 1kqc_c03 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 2 3 # 2 D 14 LYS A 23 LYS.? 1000.00 D 74 LYS A 8 LYS^? 1000.00 D 165 GLU A 124 GLU^? 1000.00 coo -2.23 43.20 -8.84 -3.98 39.03 -6.02 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 3.33 41.47 -12.31 -1.15 38.64 -10.07 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 3.51 30.30 -2.73 2.31 29.63 -1.11 24.17 -8.38 -29.24 26.07 -8.88 -30.07 ULMN 3 1kqc_c03 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 3 3 # 3 D 14 LYS B 8 LYS^? 1000.00 D 74 LYS B 23 LYS^? 1000.00 D 165 GLU B 124 GLU^? 1000.00 coo -2.23 43.20 -8.84 -3.98 39.03 -6.02 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 3.33 41.47 -12.31 -1.15 38.64 -10.07 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 3.51 30.30 -2.73 2.31 29.63 -1.11 -4.84 -25.10 -80.31 -5.35 -27.01 -79.49 ULMN 3 1kqc_c03 OXYGEN-INSENSITIVE NAD(P)H NITROREDUuser 4 3 # 4 D 14 LYS B 23 LYS^? 1000.00 D 74 LYS B 8 LYS^? 1000.00 D 165 GLU B 124 GLU^? 1000.00 coo -2.23 43.20 -8.84 -3.98 39.03 -6.02 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 3.33 41.47 -12.31 -1.15 38.64 -10.07 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 3.51 30.30 -2.73 2.31 29.63 -1.11 -4.84 -25.10 -80.31 -5.35 -27.01 -79.49 1kqc_c03 source 1kqc OXYGEN-INSENSITIVE NAD(P)H NITROREDUCTASE : 4 hits 1kqc_c03 naa= 3 ULMN 3 1lij_c01 ADENOSINE KINASE user 1 3 # 1 A 316 ALA A 66 ALA^? 1000.00 A 317 GLY A 14 GLY.? 1000.00 A 318 ASP A 13 ASP.? 1000.00 coo 144.15 17.54 -4.21 144.96 16.79 -5.26 31.33 -12.63 -29.52 30.28 -13.70 -29.40 coo 145.79 20.97 -4.38 145.13 20.72 -3.93 31.16 -16.49 -26.28 31.87 -16.86 -25.96 coo 141.70 22.54 -2.23 141.09 23.62 -3.92 35.39 -17.87 -27.45 36.78 -19.31 -28.08 ULMN 3 1lij_c01 ADENOSINE KINASE user 2 3 # 2 A 316 ALA A 66 ALA^? 1000.00 A 317 GLY A 14 GLY.? 1000.00 A 318 ASP A 64 ASP^? 1000.00 coo 144.15 17.54 -4.21 144.96 16.79 -5.26 31.33 -12.63 -29.52 30.28 -13.70 -29.40 coo 145.79 20.97 -4.38 145.13 20.72 -3.93 31.16 -16.49 -26.28 31.87 -16.86 -25.96 coo 141.70 22.54 -2.23 141.09 23.62 -3.92 29.43 -11.47 -24.77 28.22 -12.20 -26.29 ULMN 3 1lij_c01 ADENOSINE KINASE user 3 3 # 3 A 316 ALA B 66 ALA^? 1000.00 A 317 GLY B 14 GLY^? 1000.00 A 318 ASP B 13 ASP^? 1000.00 coo 144.15 17.54 -4.21 144.96 16.79 -5.26 -4.74 -33.43 -80.02 -3.29 -33.06 -80.13 coo 145.79 20.97 -4.38 145.13 20.72 -3.93 -1.32 -35.21 -83.27 -1.35 -36.02 -83.59 coo 141.70 22.54 -2.23 141.09 23.62 -3.92 -2.24 -39.57 -82.10 -1.69 -41.51 -81.47 ULMN 3 1lij_c01 ADENOSINE KINASE user 4 3 # 4 A 316 ALA B 66 ALA^? 1000.00 A 317 GLY B 14 GLY^? 1000.00 A 318 ASP B 64 ASP^? 1000.00 coo 144.15 17.54 -4.21 144.96 16.79 -5.26 -4.74 -33.43 -80.02 -3.29 -33.06 -80.13 coo 145.79 20.97 -4.38 145.13 20.72 -3.93 -1.32 -35.21 -83.27 -1.35 -36.02 -83.59 coo 141.70 22.54 -2.23 141.09 23.62 -3.92 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 1lij_c01 source 1lij ADENOSINE KINASE : 4 hits 1lij_c01 naa= 3 ULMN 3 1lio_c01 ADENOSINE KINASE user 1 3 # 1 A 316 ALA A 66 ALA^? 1000.00 A 317 GLY A 14 GLY.? 1000.00 A 318 ASP A 13 ASP.? 1000.00 coo 27.04 23.54 41.85 25.72 24.19 42.18 31.33 -12.63 -29.52 30.28 -13.70 -29.40 coo 27.87 23.16 38.17 28.43 22.97 38.87 31.16 -16.49 -26.28 31.87 -16.86 -25.96 coo 32.11 22.71 40.58 33.42 24.22 39.78 35.39 -17.87 -27.45 36.78 -19.31 -28.08 ULMN 3 1lio_c01 ADENOSINE KINASE user 2 3 # 2 A 316 ALA A 66 ALA^? 1000.00 A 317 GLY A 14 GLY.? 1000.00 A 318 ASP A 64 ASP^? 1000.00 coo 27.04 23.54 41.85 25.72 24.19 42.18 31.33 -12.63 -29.52 30.28 -13.70 -29.40 coo 27.87 23.16 38.17 28.43 22.97 38.87 31.16 -16.49 -26.28 31.87 -16.86 -25.96 coo 32.11 22.71 40.58 33.42 24.22 39.78 29.43 -11.47 -24.77 28.22 -12.20 -26.29 ULMN 3 1lio_c01 ADENOSINE KINASE user 3 3 # 3 A 316 ALA B 66 ALA^? 1000.00 A 317 GLY B 14 GLY^? 1000.00 A 318 ASP B 13 ASP^? 1000.00 coo 27.04 23.54 41.85 25.72 24.19 42.18 -4.74 -33.43 -80.02 -3.29 -33.06 -80.13 coo 27.87 23.16 38.17 28.43 22.97 38.87 -1.32 -35.21 -83.27 -1.35 -36.02 -83.59 coo 32.11 22.71 40.58 33.42 24.22 39.78 -2.24 -39.57 -82.10 -1.69 -41.51 -81.47 ULMN 3 1lio_c01 ADENOSINE KINASE user 4 3 # 4 A 316 ALA B 66 ALA^? 1000.00 A 317 GLY B 14 GLY^? 1000.00 A 318 ASP B 64 ASP^? 1000.00 coo 27.04 23.54 41.85 25.72 24.19 42.18 -4.74 -33.43 -80.02 -3.29 -33.06 -80.13 coo 27.87 23.16 38.17 28.43 22.97 38.87 -1.32 -35.21 -83.27 -1.35 -36.02 -83.59 coo 32.11 22.71 40.58 33.42 24.22 39.78 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 1lio_c01 source 1lio ADENOSINE KINASE : 4 hits 1lio_c01 naa= 3 ULMN 3 1m53_c03 ISOMALTULOSE SYNTHASE user 1 3 # 1 A 241 ASP A 64 ASP^? 1000.00 A 295 GLU A 15 GLU.? 1000.00 A 369 ASP A 13 ASP.? 1000.00 coo 11.74 38.14 80.19 10.63 36.40 80.65 29.43 -11.47 -24.77 28.22 -12.20 -26.29 coo 16.11 33.72 80.99 14.10 33.54 81.63 31.83 -13.52 -21.46 31.81 -11.49 -22.03 coo 12.19 31.08 87.29 11.13 32.66 86.38 35.39 -17.87 -27.45 36.78 -19.31 -28.08 ULMN 3 1m53_c03 ISOMALTULOSE SYNTHASE user 2 3 # 2 A 241 ASP B 64 ASP^? 1000.00 A 295 GLU B 15 GLU^? 1000.00 A 369 ASP B 13 ASP^? 1000.00 coo 11.74 38.14 80.19 10.63 36.40 80.65 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 coo 16.11 33.72 80.99 14.10 33.54 81.63 -4.24 -34.31 -88.08 -5.97 -33.27 -87.50 coo 12.19 31.08 87.29 11.13 32.66 86.38 -2.24 -39.57 -82.10 -1.69 -41.51 -81.47 1m53_c03 source 1m53 ISOMALTULOSE SYNTHASE : 2 hits 1m53_c03 naa= 3 ULMN 3 1m53_c05 ISOMALTULOSE SYNTHASE user 1 3 # 1 A 241 ASP A 13 ASP.? 1000.00 A 265 GLU A 86 GLU^? 1000.00 A 369 ASP A 64 ASP^? 1000.00 coo 11.74 38.14 80.19 10.63 36.40 80.65 35.39 -17.87 -27.45 36.78 -19.31 -28.08 coo 17.36 23.57 72.04 18.68 21.92 71.98 21.78 -27.43 -25.47 23.65 -28.43 -25.48 coo 12.19 31.08 87.29 11.13 32.66 86.38 29.43 -11.47 -24.77 28.22 -12.20 -26.29 ULMN 3 1m53_c05 ISOMALTULOSE SYNTHASE user 2 3 # 2 A 241 ASP A 64 ASP^? 1000.00 A 265 GLU A 86 GLU^? 1000.00 A 369 ASP A 13 ASP.? 1000.00 coo 11.74 38.14 80.19 10.63 36.40 80.65 29.43 -11.47 -24.77 28.22 -12.20 -26.29 coo 17.36 23.57 72.04 18.68 21.92 71.98 21.78 -27.43 -25.47 23.65 -28.43 -25.48 coo 12.19 31.08 87.29 11.13 32.66 86.38 35.39 -17.87 -27.45 36.78 -19.31 -28.08 ULMN 3 1m53_c05 ISOMALTULOSE SYNTHASE user 3 3 # 3 A 241 ASP B 13 ASP^? 1000.00 A 265 GLU B 86 GLU^? 1000.00 A 369 ASP B 64 ASP^? 1000.00 coo 11.74 38.14 80.19 10.63 36.40 80.65 -2.24 -39.57 -82.10 -1.69 -41.51 -81.47 coo 17.36 23.57 72.04 18.68 21.92 71.98 12.86 -32.58 -84.08 12.77 -34.69 -84.08 coo 12.19 31.08 87.29 11.13 32.66 86.38 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 ULMN 3 1m53_c05 ISOMALTULOSE SYNTHASE user 4 3 # 4 A 241 ASP B 64 ASP^? 1000.00 A 265 GLU B 86 GLU^? 1000.00 A 369 ASP B 13 ASP^? 1000.00 coo 11.74 38.14 80.19 10.63 36.40 80.65 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 coo 17.36 23.57 72.04 18.68 21.92 71.98 12.86 -32.58 -84.08 12.77 -34.69 -84.08 coo 12.19 31.08 87.29 11.13 32.66 86.38 -2.24 -39.57 -82.10 -1.69 -41.51 -81.47 1m53_c05 source 1m53 ISOMALTULOSE SYNTHASE : 4 hits 1m53_c05 naa= 3 ULMN 3 1mdr_c01 MANDELATE RACEMASE (E.C.5.1.2.2) user 1 3 # 1 164 LYS A 8 LYS^? 1000.00 166 LYS A 23 LYS.? 1000.00 324 SER A 113 SER^? 1000.00 coo 25.93 8.11 25.51 26.40 7.80 19.66 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 27.27 1.43 25.09 29.18 5.25 22.89 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 46.32 14.55 19.93 45.95 12.72 21.27 21.28 -0.76 -29.30 19.21 -1.77 -28.50 ULMN 3 1mdr_c01 MANDELATE RACEMASE (E.C.5.1.2.2) user 2 3 # 2 164 LYS A 23 LYS.? 1000.00 166 LYS A 8 LYS^? 1000.00 324 SER A 113 SER^? 1000.00 coo 25.93 8.11 25.51 26.40 7.80 19.66 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 27.27 1.43 25.09 29.18 5.25 22.89 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 46.32 14.55 19.93 45.95 12.72 21.27 21.28 -0.76 -29.30 19.21 -1.77 -28.50 ULMN 3 1mdr_c01 MANDELATE RACEMASE (E.C.5.1.2.2) user 3 3 # 3 164 LYS A 23 LYS.? 1000.00 166 LYS A 8 LYS^? 1000.00 324 SER A 119 SER^? 1000.00 coo 25.93 8.11 25.51 26.40 7.80 19.66 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 27.27 1.43 25.09 29.18 5.25 22.89 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 46.32 14.55 19.93 45.95 12.72 21.27 19.43 -1.94 -17.44 18.78 -2.03 -19.80 ULMN 3 1mdr_c01 MANDELATE RACEMASE (E.C.5.1.2.2) user 4 3 # 4 164 LYS B 8 LYS^? 1000.00 166 LYS B 23 LYS^? 1000.00 324 SER B 113 SER^? 1000.00 coo 25.93 8.11 25.51 26.40 7.80 19.66 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 27.27 1.43 25.09 29.18 5.25 22.89 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 46.32 14.55 19.93 45.95 12.72 21.27 -9.98 -18.80 -80.24 -8.08 -17.55 -81.05 ULMN 3 1mdr_c01 MANDELATE RACEMASE (E.C.5.1.2.2) user 5 3 # 5 164 LYS B 23 LYS^? 1000.00 166 LYS B 8 LYS^? 1000.00 324 SER B 113 SER^? 1000.00 coo 25.93 8.11 25.51 26.40 7.80 19.66 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 27.27 1.43 25.09 29.18 5.25 22.89 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 46.32 14.55 19.93 45.95 12.72 21.27 -9.98 -18.80 -80.24 -8.08 -17.55 -81.05 ULMN 3 1mdr_c01 MANDELATE RACEMASE (E.C.5.1.2.2) user 6 3 # 6 164 LYS B 23 LYS^? 1000.00 166 LYS B 8 LYS^? 1000.00 324 SER B 119 SER^? 1000.00 coo 25.93 8.11 25.51 26.40 7.80 19.66 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 27.27 1.43 25.09 29.18 5.25 22.89 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 46.32 14.55 19.93 45.95 12.72 21.27 -8.04 -17.77 -92.09 -7.64 -17.26 -89.74 1mdr_c01 source 1mdr MANDELATE RACEMASE (E.C.5.1.2.2) : 6 hits 1mdr_c01 naa= 3 ULMN 3 1mpp_c04 PEPSIN (RENIN) (E.C.3.4.23.23) user 1 3 # 1 32 ASP A 18 ASP~? 1000.00 35 SER A 16 SER.? 1000.00 215 ASP A 4 ASP^? 1000.00 coo 20.97 14.47 32.28 19.66 15.96 31.62 26.87 -23.27 -16.72 26.31 -23.96 -18.62 coo 16.04 14.72 33.82 17.27 13.71 31.95 29.28 -18.48 -20.76 27.76 -20.30 -20.33 coo 20.65 22.00 33.80 20.06 20.56 32.39 19.46 -21.33 -18.77 18.88 -20.63 -16.86 ULMN 3 1mpp_c04 PEPSIN (RENIN) (E.C.3.4.23.23) user 2 3 # 2 32 ASP B 18 ASP^? 1000.00 35 SER B 16 SER^? 1000.00 215 ASP B 4 ASP^? 1000.00 coo 20.97 14.47 32.28 19.66 15.96 31.62 6.68 -34.89 -92.82 7.57 -34.75 -90.92 coo 16.04 14.72 33.82 17.27 13.71 31.95 1.34 -34.60 -88.79 3.68 -34.16 -89.21 coo 20.65 22.00 33.80 20.06 20.56 32.39 8.72 -27.52 -90.78 8.40 -26.67 -92.69 1mpp_c04 source 1mpp PEPSIN (RENIN) (E.C.3.4.23.23) : 2 hits 1mpp_c04 naa= 3 ULMN 3 1mrq_c02 ALDO-KETO REDUCTASE FAMILY 1 MEMBER user 1 3 # 1 A 50 ASP A 18 ASP~? 1000.00 A 55 TYR A 6 TYR^? 1000.00 A 84 LYS A 23 LYS.? 1000.00 coo 11.09 42.89 24.44 11.32 42.06 22.49 26.87 -23.27 -16.72 26.31 -23.96 -18.62 coo 4.60 40.33 20.42 7.25 39.50 20.05 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo 9.71 44.83 15.47 10.13 41.43 19.93 32.67 -20.15 -23.43 38.88 -20.02 -24.22 ULMN 3 1mrq_c02 ALDO-KETO REDUCTASE FAMILY 1 MEMBER user 2 3 # 2 A 50 ASP B 18 ASP^? 1000.00 A 55 TYR B 6 TYR^? 1000.00 A 84 LYS B 23 LYS^? 1000.00 coo 11.09 42.89 24.44 11.32 42.06 22.49 6.68 -34.89 -92.82 7.57 -34.75 -90.92 coo 4.60 40.33 20.42 7.25 39.50 20.05 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo 9.71 44.83 15.47 10.13 41.43 19.93 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 1mrq_c02 source 1mrq ALDO-KETO REDUCTASE FAMILY 1 MEMBER C1 : 2 hits 1mrq_c02 naa= 3 ULMN 3 1n2t_c02 L-CYSTEINE-CYSTINE LYASE C-DES user 1 3 # 1 A 114 HIS A 21 HIS~? 1000.00 A 197 ASP A 18 ASP~? 1000.00 A 223 ALA A 2 ALA.? 1000.00 coo -61.68 -8.94 -28.01 -61.87 -7.73 -26.31 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo -57.09 -14.53 -30.28 -57.60 -13.32 -28.61 26.87 -23.27 -16.72 26.31 -23.96 -18.62 coo -56.49 -13.76 -16.93 -57.17 -13.93 -18.30 14.30 -21.66 -15.97 12.82 -21.38 -15.67 ULMN 3 1n2t_c02 L-CYSTEINE-CYSTINE LYASE C-DES user 2 3 # 2 A 114 HIS B 21 HIS^? 1000.00 A 197 ASP B 18 ASP^? 1000.00 A 223 ALA B 2 ALA^? 1000.00 coo -61.68 -8.94 -28.01 -61.87 -7.73 -26.31 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo -57.09 -14.53 -30.28 -57.60 -13.32 -28.61 6.68 -34.89 -92.82 7.57 -34.75 -90.92 coo -56.49 -13.76 -16.93 -57.17 -13.93 -18.30 11.59 -23.21 -93.58 12.09 -21.79 -93.88 1n2t_c02 source 1n2t L-CYSTEINE-CYSTINE LYASE C-DES : 2 hits 1n2t_c02 naa= 3 ULMN 3 1n2t_c03 L-CYSTEINE-CYSTINE LYASE C-DES user 1 3 # 1 B 114 HIS A 21 HIS~? 1000.00 B 197 ASP A 18 ASP~? 1000.00 B 223 ALA A 2 ALA.? 1000.00 coo -32.24 6.73 -26.90 -32.01 5.24 -25.44 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo -36.83 12.62 -28.19 -36.31 11.10 -26.78 26.87 -23.27 -16.72 26.31 -23.96 -18.62 coo -37.23 9.70 -15.15 -36.60 10.10 -16.48 14.30 -21.66 -15.97 12.82 -21.38 -15.67 ULMN 3 1n2t_c03 L-CYSTEINE-CYSTINE LYASE C-DES user 2 3 # 2 B 114 HIS B 21 HIS^? 1000.00 B 197 ASP B 18 ASP^? 1000.00 B 223 ALA B 2 ALA^? 1000.00 coo -32.24 6.73 -26.90 -32.01 5.24 -25.44 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo -36.83 12.62 -28.19 -36.31 11.10 -26.78 6.68 -34.89 -92.82 7.57 -34.75 -90.92 coo -37.23 9.70 -15.15 -36.60 10.10 -16.48 11.59 -23.21 -93.58 12.09 -21.79 -93.88 1n2t_c03 source 1n2t L-CYSTEINE-CYSTINE LYASE C-DES : 2 hits 1n2t_c03 naa= 3 ULMN 3 1nsf_c00 N-ETHYLMALEIMIDE SENSITIVE FACTOR user 1 3 # 1 549 LYS A 101 LYS^? 1000.00 631 LYS A 51 LYS.? 1000.00 708 LYS A 8 LYS^? 1000.00 coo 8.61 33.06 11.15 10.12 29.19 8.82 21.27 -27.97 -34.76 23.33 -33.29 -31.87 coo -11.99 27.40 17.14 -13.60 24.52 11.71 6.39 -26.09 -50.65 11.04 -24.99 -50.07 coo 18.16 32.86 9.85 16.06 28.20 13.56 27.50 -22.43 -30.09 31.82 -26.84 -29.34 ULMN 3 1nsf_c00 N-ETHYLMALEIMIDE SENSITIVE FACTOR user 2 3 # 2 549 LYS A 131 LYS^? 1000.00 631 LYS B 131 LYS^? 1000.00 708 LYS A 101 LYS^? 1000.00 coo 8.61 33.06 11.15 10.12 29.19 8.82 20.68 -24.51 -44.83 21.09 -22.52 -49.85 coo -11.99 27.40 17.14 -13.60 24.52 11.71 10.88 -30.17 -64.72 8.95 -29.51 -59.71 coo 18.16 32.86 9.85 16.06 28.20 13.56 21.27 -27.97 -34.76 23.33 -33.29 -31.87 ULMN 3 1nsf_c00 N-ETHYLMALEIMIDE SENSITIVE FACTOR user 3 3 # 3 549 LYS B 101 LYS^? 1000.00 631 LYS B 51 LYS^? 1000.00 708 LYS B 8 LYS^? 1000.00 coo 8.61 33.06 11.15 10.12 29.19 8.82 13.59 -32.41 -74.79 17.17 -36.84 -77.71 coo -11.99 27.40 17.14 -13.60 24.52 11.71 19.42 -18.59 -58.83 16.07 -22.36 -58.94 coo 18.16 32.86 9.85 16.06 28.20 13.56 5.64 -35.04 -79.46 7.30 -40.97 -80.23 ULMN 3 1nsf_c00 N-ETHYLMALEIMIDE SENSITIVE FACTOR user 4 3 # 4 549 LYS B 131 LYS^? 1000.00 631 LYS A 131 LYS^? 1000.00 708 LYS B 101 LYS^? 1000.00 coo 8.61 33.06 11.15 10.12 29.19 8.82 10.88 -30.17 -64.72 8.95 -29.51 -59.71 coo -11.99 27.40 17.14 -13.60 24.52 11.71 20.68 -24.51 -44.83 21.09 -22.52 -49.85 coo 18.16 32.86 9.85 16.06 28.20 13.56 13.59 -32.41 -74.79 17.17 -36.84 -77.71 1nsf_c00 source 1nsf N-ETHYLMALEIMIDE SENSITIVE FACTOR : 4 hits 1nsf_c00 naa= 3 ULMN 3 1ok4_c00 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 1 3 # 1 A 24 ASP A 19 ASP~? 1000.00 A 146 TYR A 6 TYR^? 1000.00 A 177 LYS A 23 LYS.? 1000.00 coo -3.50 124.89 25.05 -2.25 124.77 23.26 29.74 -27.57 -15.65 30.35 -27.04 -13.70 coo 1.87 119.38 16.45 1.41 122.11 16.84 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo -2.59 124.07 12.67 -0.91 126.17 18.42 32.67 -20.15 -23.43 38.88 -20.02 -24.22 ULMN 3 1ok4_c00 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 2 3 # 2 A 24 ASP A 64 ASP^? 1000.00 A 146 TYR A 6 TYR^? 1000.00 A 177 LYS A 8 LYS^? 1000.00 coo -3.50 124.89 25.05 -2.25 124.77 23.26 29.43 -11.47 -24.77 28.22 -12.20 -26.29 coo 1.87 119.38 16.45 1.41 122.11 16.84 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo -2.59 124.07 12.67 -0.91 126.17 18.42 27.50 -22.43 -30.09 31.82 -26.84 -29.34 ULMN 3 1ok4_c00 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 3 3 # 3 A 24 ASP A 64 ASP^? 1000.00 A 146 TYR A 6 TYR^? 1000.00 A 177 LYS A 22 LYS~? 1000.00 coo -3.50 124.89 25.05 -2.25 124.77 23.26 29.43 -11.47 -24.77 28.22 -12.20 -26.29 coo 1.87 119.38 16.45 1.41 122.11 16.84 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo -2.59 124.07 12.67 -0.91 126.17 18.42 31.99 -23.27 -21.33 35.03 -27.43 -17.58 ULMN 3 1ok4_c00 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 4 3 # 4 A 24 ASP B 19 ASP^? 1000.00 A 146 TYR B 6 TYR^? 1000.00 A 177 LYS B 23 LYS^? 1000.00 coo -3.50 124.89 25.05 -2.25 124.77 23.26 8.97 -39.53 -93.90 8.21 -39.80 -95.86 coo 1.87 119.38 16.45 1.41 122.11 16.84 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo -2.59 124.07 12.67 -0.91 126.17 18.42 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 ULMN 3 1ok4_c00 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 5 3 # 5 A 24 ASP B 64 ASP^? 1000.00 A 146 TYR B 6 TYR^? 1000.00 A 177 LYS B 8 LYS^? 1000.00 coo -3.50 124.89 25.05 -2.25 124.77 23.26 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 coo 1.87 119.38 16.45 1.41 122.11 16.84 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo -2.59 124.07 12.67 -0.91 126.17 18.42 5.64 -35.04 -79.46 7.30 -40.97 -80.23 ULMN 3 1ok4_c00 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 6 3 # 6 A 24 ASP B 64 ASP^? 1000.00 A 146 TYR B 6 TYR^? 1000.00 A 177 LYS B 22 LYS^? 1000.00 coo -3.50 124.89 25.05 -2.25 124.77 23.26 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 coo 1.87 119.38 16.45 1.41 122.11 16.84 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo -2.59 124.07 12.67 -0.91 126.17 18.42 4.13 -39.33 -88.23 6.19 -44.05 -91.97 1ok4_c00 source 1ok4 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASS I : 6 hits 1ok4_c00 naa= 3 ULMN 3 1ok4_c01 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 1 3 # 1 B 24 ASP A 19 ASP~? 1000.00 B 146 TYR A 6 TYR^? 1000.00 B 177 LYS A 23 LYS.? 1000.00 coo -7.43 109.06 51.23 -5.84 110.54 50.86 29.74 -27.57 -15.65 30.35 -27.04 -13.70 coo 0.22 114.56 44.62 -0.76 115.18 47.18 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo -4.18 120.17 46.85 -4.02 115.31 51.00 32.67 -20.15 -23.43 38.88 -20.02 -24.22 ULMN 3 1ok4_c01 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 2 3 # 2 B 24 ASP A 64 ASP^? 1000.00 B 146 TYR A 6 TYR^? 1000.00 B 177 LYS A 8 LYS^? 1000.00 coo -7.43 109.06 51.23 -5.84 110.54 50.86 29.43 -11.47 -24.77 28.22 -12.20 -26.29 coo 0.22 114.56 44.62 -0.76 115.18 47.18 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo -4.18 120.17 46.85 -4.02 115.31 51.00 27.50 -22.43 -30.09 31.82 -26.84 -29.34 ULMN 3 1ok4_c01 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 3 3 # 3 B 24 ASP A 64 ASP^? 1000.00 B 146 TYR A 6 TYR^? 1000.00 B 177 LYS A 22 LYS~? 1000.00 coo -7.43 109.06 51.23 -5.84 110.54 50.86 29.43 -11.47 -24.77 28.22 -12.20 -26.29 coo 0.22 114.56 44.62 -0.76 115.18 47.18 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo -4.18 120.17 46.85 -4.02 115.31 51.00 31.99 -23.27 -21.33 35.03 -27.43 -17.58 ULMN 3 1ok4_c01 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 4 3 # 4 B 24 ASP B 19 ASP^? 1000.00 B 146 TYR B 6 TYR^? 1000.00 B 177 LYS B 23 LYS^? 1000.00 coo -7.43 109.06 51.23 -5.84 110.54 50.86 8.97 -39.53 -93.90 8.21 -39.80 -95.86 coo 0.22 114.56 44.62 -0.76 115.18 47.18 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo -4.18 120.17 46.85 -4.02 115.31 51.00 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 ULMN 3 1ok4_c01 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 5 3 # 5 B 24 ASP B 64 ASP^? 1000.00 B 146 TYR B 6 TYR^? 1000.00 B 177 LYS B 8 LYS^? 1000.00 coo -7.43 109.06 51.23 -5.84 110.54 50.86 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 coo 0.22 114.56 44.62 -0.76 115.18 47.18 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo -4.18 120.17 46.85 -4.02 115.31 51.00 5.64 -35.04 -79.46 7.30 -40.97 -80.23 ULMN 3 1ok4_c01 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 6 3 # 6 B 24 ASP B 64 ASP^? 1000.00 B 146 TYR B 6 TYR^? 1000.00 B 177 LYS B 22 LYS^? 1000.00 coo -7.43 109.06 51.23 -5.84 110.54 50.86 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 coo 0.22 114.56 44.62 -0.76 115.18 47.18 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo -4.18 120.17 46.85 -4.02 115.31 51.00 4.13 -39.33 -88.23 6.19 -44.05 -91.97 1ok4_c01 source 1ok4 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASS I : 6 hits 1ok4_c01 naa= 3 ULMN 3 1ok4_c02 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 1 3 # 1 C 24 ASP A 19 ASP~? 1000.00 C 146 TYR A 6 TYR^? 1000.00 C 177 LYS A 23 LYS.? 1000.00 coo -13.49 79.65 43.90 -12.13 80.29 45.45 29.74 -27.57 -15.65 30.35 -27.04 -13.70 coo -5.65 86.78 48.49 -7.16 84.72 49.65 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo -11.22 87.18 53.49 -10.94 81.64 50.31 32.67 -20.15 -23.43 38.88 -20.02 -24.22 ULMN 3 1ok4_c02 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 2 3 # 2 C 24 ASP A 64 ASP^? 1000.00 C 146 TYR A 6 TYR^? 1000.00 C 177 LYS A 8 LYS^? 1000.00 coo -13.49 79.65 43.90 -12.13 80.29 45.45 29.43 -11.47 -24.77 28.22 -12.20 -26.29 coo -5.65 86.78 48.49 -7.16 84.72 49.65 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo -11.22 87.18 53.49 -10.94 81.64 50.31 27.50 -22.43 -30.09 31.82 -26.84 -29.34 ULMN 3 1ok4_c02 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 3 3 # 3 C 24 ASP A 64 ASP^? 1000.00 C 146 TYR A 6 TYR^? 1000.00 C 177 LYS A 22 LYS~? 1000.00 coo -13.49 79.65 43.90 -12.13 80.29 45.45 29.43 -11.47 -24.77 28.22 -12.20 -26.29 coo -5.65 86.78 48.49 -7.16 84.72 49.65 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo -11.22 87.18 53.49 -10.94 81.64 50.31 31.99 -23.27 -21.33 35.03 -27.43 -17.58 ULMN 3 1ok4_c02 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 4 3 # 4 C 24 ASP B 19 ASP^? 1000.00 C 146 TYR B 6 TYR^? 1000.00 C 177 LYS B 23 LYS^? 1000.00 coo -13.49 79.65 43.90 -12.13 80.29 45.45 8.97 -39.53 -93.90 8.21 -39.80 -95.86 coo -5.65 86.78 48.49 -7.16 84.72 49.65 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo -11.22 87.18 53.49 -10.94 81.64 50.31 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 ULMN 3 1ok4_c02 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 5 3 # 5 C 24 ASP B 64 ASP^? 1000.00 C 146 TYR B 6 TYR^? 1000.00 C 177 LYS B 8 LYS^? 1000.00 coo -13.49 79.65 43.90 -12.13 80.29 45.45 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 coo -5.65 86.78 48.49 -7.16 84.72 49.65 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo -11.22 87.18 53.49 -10.94 81.64 50.31 5.64 -35.04 -79.46 7.30 -40.97 -80.23 ULMN 3 1ok4_c02 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 6 3 # 6 C 24 ASP B 64 ASP^? 1000.00 C 146 TYR B 6 TYR^? 1000.00 C 177 LYS B 22 LYS^? 1000.00 coo -13.49 79.65 43.90 -12.13 80.29 45.45 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 coo -5.65 86.78 48.49 -7.16 84.72 49.65 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo -11.22 87.18 53.49 -10.94 81.64 50.31 4.13 -39.33 -88.23 6.19 -44.05 -91.97 1ok4_c02 source 1ok4 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASS I : 6 hits 1ok4_c02 naa= 3 ULMN 3 1ok4_c03 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 1 3 # 1 D 24 ASP A 19 ASP~? 1000.00 D 146 TYR A 6 TYR^? 1000.00 D 177 LYS A 23 LYS.? 1000.00 coo -13.44 77.36 13.12 -12.53 75.97 14.48 29.74 -27.57 -15.65 30.35 -27.04 -13.70 coo -7.85 74.44 22.75 -9.22 72.86 20.89 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo -14.24 70.61 23.48 -12.55 71.73 17.42 32.67 -20.15 -23.43 38.88 -20.02 -24.22 ULMN 3 1ok4_c03 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 2 3 # 2 D 24 ASP A 64 ASP^? 1000.00 D 146 TYR A 6 TYR^? 1000.00 D 177 LYS A 8 LYS^? 1000.00 coo -13.44 77.36 13.12 -12.53 75.97 14.48 29.43 -11.47 -24.77 28.22 -12.20 -26.29 coo -7.85 74.44 22.75 -9.22 72.86 20.89 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo -14.24 70.61 23.48 -12.55 71.73 17.42 27.50 -22.43 -30.09 31.82 -26.84 -29.34 ULMN 3 1ok4_c03 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 3 3 # 3 D 24 ASP A 64 ASP^? 1000.00 D 146 TYR A 6 TYR^? 1000.00 D 177 LYS A 22 LYS~? 1000.00 coo -13.44 77.36 13.12 -12.53 75.97 14.48 29.43 -11.47 -24.77 28.22 -12.20 -26.29 coo -7.85 74.44 22.75 -9.22 72.86 20.89 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo -14.24 70.61 23.48 -12.55 71.73 17.42 31.99 -23.27 -21.33 35.03 -27.43 -17.58 ULMN 3 1ok4_c03 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 4 3 # 4 D 24 ASP B 19 ASP^? 1000.00 D 146 TYR B 6 TYR^? 1000.00 D 177 LYS B 23 LYS^? 1000.00 coo -13.44 77.36 13.12 -12.53 75.97 14.48 8.97 -39.53 -93.90 8.21 -39.80 -95.86 coo -7.85 74.44 22.75 -9.22 72.86 20.89 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo -14.24 70.61 23.48 -12.55 71.73 17.42 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 ULMN 3 1ok4_c03 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 5 3 # 5 D 24 ASP B 64 ASP^? 1000.00 D 146 TYR B 6 TYR^? 1000.00 D 177 LYS B 8 LYS^? 1000.00 coo -13.44 77.36 13.12 -12.53 75.97 14.48 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 coo -7.85 74.44 22.75 -9.22 72.86 20.89 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo -14.24 70.61 23.48 -12.55 71.73 17.42 5.64 -35.04 -79.46 7.30 -40.97 -80.23 ULMN 3 1ok4_c03 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 6 3 # 6 D 24 ASP B 64 ASP^? 1000.00 D 146 TYR B 6 TYR^? 1000.00 D 177 LYS B 22 LYS^? 1000.00 coo -13.44 77.36 13.12 -12.53 75.97 14.48 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 coo -7.85 74.44 22.75 -9.22 72.86 20.89 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo -14.24 70.61 23.48 -12.55 71.73 17.42 4.13 -39.33 -88.23 6.19 -44.05 -91.97 1ok4_c03 source 1ok4 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASS I : 6 hits 1ok4_c03 naa= 3 ULMN 3 1ok4_c04 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 1 3 # 1 E 24 ASP A 19 ASP~? 1000.00 E 146 TYR A 6 TYR^? 1000.00 E 177 LYS A 23 LYS.? 1000.00 coo -7.12 105.25 1.43 -6.30 103.34 0.77 29.74 -27.57 -15.65 30.35 -27.04 -13.70 coo -3.11 94.55 3.01 -3.83 95.92 0.66 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo -8.77 93.34 -1.70 -6.28 99.15 -2.21 32.67 -20.15 -23.43 38.88 -20.02 -24.22 ULMN 3 1ok4_c04 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 2 3 # 2 E 24 ASP A 64 ASP^? 1000.00 E 146 TYR A 6 TYR^? 1000.00 E 177 LYS A 8 LYS^? 1000.00 coo -7.12 105.25 1.43 -6.30 103.34 0.77 29.43 -11.47 -24.77 28.22 -12.20 -26.29 coo -3.11 94.55 3.01 -3.83 95.92 0.66 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo -8.77 93.34 -1.70 -6.28 99.15 -2.21 27.50 -22.43 -30.09 31.82 -26.84 -29.34 ULMN 3 1ok4_c04 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 3 3 # 3 E 24 ASP A 64 ASP^? 1000.00 E 146 TYR A 6 TYR^? 1000.00 E 177 LYS A 22 LYS~? 1000.00 coo -7.12 105.25 1.43 -6.30 103.34 0.77 29.43 -11.47 -24.77 28.22 -12.20 -26.29 coo -3.11 94.55 3.01 -3.83 95.92 0.66 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo -8.77 93.34 -1.70 -6.28 99.15 -2.21 31.99 -23.27 -21.33 35.03 -27.43 -17.58 ULMN 3 1ok4_c04 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 4 3 # 4 E 24 ASP B 19 ASP^? 1000.00 E 146 TYR B 6 TYR^? 1000.00 E 177 LYS B 23 LYS^? 1000.00 coo -7.12 105.25 1.43 -6.30 103.34 0.77 8.97 -39.53 -93.90 8.21 -39.80 -95.86 coo -3.11 94.55 3.01 -3.83 95.92 0.66 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo -8.77 93.34 -1.70 -6.28 99.15 -2.21 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 ULMN 3 1ok4_c04 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 5 3 # 5 E 24 ASP B 64 ASP^? 1000.00 E 146 TYR B 6 TYR^? 1000.00 E 177 LYS B 8 LYS^? 1000.00 coo -7.12 105.25 1.43 -6.30 103.34 0.77 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 coo -3.11 94.55 3.01 -3.83 95.92 0.66 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo -8.77 93.34 -1.70 -6.28 99.15 -2.21 5.64 -35.04 -79.46 7.30 -40.97 -80.23 ULMN 3 1ok4_c04 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 6 3 # 6 E 24 ASP B 64 ASP^? 1000.00 E 146 TYR B 6 TYR^? 1000.00 E 177 LYS B 22 LYS^? 1000.00 coo -7.12 105.25 1.43 -6.30 103.34 0.77 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 coo -3.11 94.55 3.01 -3.83 95.92 0.66 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo -8.77 93.34 -1.70 -6.28 99.15 -2.21 4.13 -39.33 -88.23 6.19 -44.05 -91.97 1ok4_c04 source 1ok4 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASS I : 6 hits 1ok4_c04 naa= 3 ULMN 3 1ok4_c05 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 1 3 # 1 F 24 ASP A 19 ASP~? 1000.00 F 146 TYR A 6 TYR^? 1000.00 F 177 LYS A 23 LYS.? 1000.00 coo -44.75 128.15 10.28 -45.68 129.67 11.55 29.74 -27.57 -15.65 30.35 -27.04 -13.70 coo -50.43 131.90 19.60 -49.04 133.31 17.60 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo -44.10 135.86 19.99 -45.67 134.21 14.07 32.67 -20.15 -23.43 38.88 -20.02 -24.22 ULMN 3 1ok4_c05 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 2 3 # 2 F 24 ASP A 64 ASP^? 1000.00 F 146 TYR A 6 TYR^? 1000.00 F 177 LYS A 8 LYS^? 1000.00 coo -44.75 128.15 10.28 -45.68 129.67 11.55 29.43 -11.47 -24.77 28.22 -12.20 -26.29 coo -50.43 131.90 19.60 -49.04 133.31 17.60 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo -44.10 135.86 19.99 -45.67 134.21 14.07 27.50 -22.43 -30.09 31.82 -26.84 -29.34 ULMN 3 1ok4_c05 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 3 3 # 3 F 24 ASP A 64 ASP^? 1000.00 F 146 TYR A 6 TYR^? 1000.00 F 177 LYS A 22 LYS~? 1000.00 coo -44.75 128.15 10.28 -45.68 129.67 11.55 29.43 -11.47 -24.77 28.22 -12.20 -26.29 coo -50.43 131.90 19.60 -49.04 133.31 17.60 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo -44.10 135.86 19.99 -45.67 134.21 14.07 31.99 -23.27 -21.33 35.03 -27.43 -17.58 ULMN 3 1ok4_c05 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 4 3 # 4 F 24 ASP B 19 ASP^? 1000.00 F 146 TYR B 6 TYR^? 1000.00 F 177 LYS B 23 LYS^? 1000.00 coo -44.75 128.15 10.28 -45.68 129.67 11.55 8.97 -39.53 -93.90 8.21 -39.80 -95.86 coo -50.43 131.90 19.60 -49.04 133.31 17.60 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo -44.10 135.86 19.99 -45.67 134.21 14.07 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 ULMN 3 1ok4_c05 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 5 3 # 5 F 24 ASP B 64 ASP^? 1000.00 F 146 TYR B 6 TYR^? 1000.00 F 177 LYS B 8 LYS^? 1000.00 coo -44.75 128.15 10.28 -45.68 129.67 11.55 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 coo -50.43 131.90 19.60 -49.04 133.31 17.60 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo -44.10 135.86 19.99 -45.67 134.21 14.07 5.64 -35.04 -79.46 7.30 -40.97 -80.23 ULMN 3 1ok4_c05 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 6 3 # 6 F 24 ASP B 64 ASP^? 1000.00 F 146 TYR B 6 TYR^? 1000.00 F 177 LYS B 22 LYS^? 1000.00 coo -44.75 128.15 10.28 -45.68 129.67 11.55 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 coo -50.43 131.90 19.60 -49.04 133.31 17.60 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo -44.10 135.86 19.99 -45.67 134.21 14.07 4.13 -39.33 -88.23 6.19 -44.05 -91.97 1ok4_c05 source 1ok4 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASS I : 6 hits 1ok4_c05 naa= 3 ULMN 3 1ok4_c06 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 1 3 # 1 G 24 ASP A 19 ASP~? 1000.00 G 146 TYR A 6 TYR^? 1000.00 G 177 LYS A 23 LYS.? 1000.00 coo -44.97 128.78 41.20 -46.32 128.26 42.83 29.74 -27.57 -15.65 30.35 -27.04 -13.70 coo -52.83 122.13 46.42 -51.31 124.30 47.39 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo -47.30 122.24 51.49 -47.46 127.44 47.81 32.67 -20.15 -23.43 38.88 -20.02 -24.22 ULMN 3 1ok4_c06 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 2 3 # 2 G 24 ASP A 64 ASP^? 1000.00 G 146 TYR A 6 TYR^? 1000.00 G 177 LYS A 8 LYS^? 1000.00 coo -44.97 128.78 41.20 -46.32 128.26 42.83 29.43 -11.47 -24.77 28.22 -12.20 -26.29 coo -52.83 122.13 46.42 -51.31 124.30 47.39 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo -47.30 122.24 51.49 -47.46 127.44 47.81 27.50 -22.43 -30.09 31.82 -26.84 -29.34 ULMN 3 1ok4_c06 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 3 3 # 3 G 24 ASP A 64 ASP^? 1000.00 G 146 TYR A 6 TYR^? 1000.00 G 177 LYS A 22 LYS~? 1000.00 coo -44.97 128.78 41.20 -46.32 128.26 42.83 29.43 -11.47 -24.77 28.22 -12.20 -26.29 coo -52.83 122.13 46.42 -51.31 124.30 47.39 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo -47.30 122.24 51.49 -47.46 127.44 47.81 31.99 -23.27 -21.33 35.03 -27.43 -17.58 ULMN 3 1ok4_c06 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 4 3 # 4 G 24 ASP B 19 ASP^? 1000.00 G 146 TYR B 6 TYR^? 1000.00 G 177 LYS B 23 LYS^? 1000.00 coo -44.97 128.78 41.20 -46.32 128.26 42.83 8.97 -39.53 -93.90 8.21 -39.80 -95.86 coo -52.83 122.13 46.42 -51.31 124.30 47.39 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo -47.30 122.24 51.49 -47.46 127.44 47.81 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 ULMN 3 1ok4_c06 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 5 3 # 5 G 24 ASP B 64 ASP^? 1000.00 G 146 TYR B 6 TYR^? 1000.00 G 177 LYS B 8 LYS^? 1000.00 coo -44.97 128.78 41.20 -46.32 128.26 42.83 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 coo -52.83 122.13 46.42 -51.31 124.30 47.39 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo -47.30 122.24 51.49 -47.46 127.44 47.81 5.64 -35.04 -79.46 7.30 -40.97 -80.23 ULMN 3 1ok4_c06 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 6 3 # 6 G 24 ASP B 64 ASP^? 1000.00 G 146 TYR B 6 TYR^? 1000.00 G 177 LYS B 22 LYS^? 1000.00 coo -44.97 128.78 41.20 -46.32 128.26 42.83 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 coo -52.83 122.13 46.42 -51.31 124.30 47.39 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo -47.30 122.24 51.49 -47.46 127.44 47.81 4.13 -39.33 -88.23 6.19 -44.05 -91.97 1ok4_c06 source 1ok4 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASS I : 6 hits 1ok4_c06 naa= 3 ULMN 3 1ok4_c07 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 1 3 # 1 H 24 ASP A 19 ASP~? 1000.00 H 146 TYR A 6 TYR^? 1000.00 H 177 LYS A 23 LYS.? 1000.00 coo -51.11 100.30 51.41 -52.67 98.82 51.12 29.74 -27.57 -15.65 30.35 -27.04 -13.70 coo -58.70 94.17 45.32 -57.76 93.82 47.92 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo -54.32 88.79 48.13 -54.61 94.04 51.74 32.67 -20.15 -23.43 38.88 -20.02 -24.22 ULMN 3 1ok4_c07 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 2 3 # 2 H 24 ASP A 64 ASP^? 1000.00 H 146 TYR A 6 TYR^? 1000.00 H 177 LYS A 8 LYS^? 1000.00 coo -51.11 100.30 51.41 -52.67 98.82 51.12 29.43 -11.47 -24.77 28.22 -12.20 -26.29 coo -58.70 94.17 45.32 -57.76 93.82 47.92 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo -54.32 88.79 48.13 -54.61 94.04 51.74 27.50 -22.43 -30.09 31.82 -26.84 -29.34 ULMN 3 1ok4_c07 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 3 3 # 3 H 24 ASP A 64 ASP^? 1000.00 H 146 TYR A 6 TYR^? 1000.00 H 177 LYS A 22 LYS~? 1000.00 coo -51.11 100.30 51.41 -52.67 98.82 51.12 29.43 -11.47 -24.77 28.22 -12.20 -26.29 coo -58.70 94.17 45.32 -57.76 93.82 47.92 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo -54.32 88.79 48.13 -54.61 94.04 51.74 31.99 -23.27 -21.33 35.03 -27.43 -17.58 ULMN 3 1ok4_c07 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 4 3 # 4 H 24 ASP B 19 ASP^? 1000.00 H 146 TYR B 6 TYR^? 1000.00 H 177 LYS B 23 LYS^? 1000.00 coo -51.11 100.30 51.41 -52.67 98.82 51.12 8.97 -39.53 -93.90 8.21 -39.80 -95.86 coo -58.70 94.17 45.32 -57.76 93.82 47.92 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo -54.32 88.79 48.13 -54.61 94.04 51.74 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 ULMN 3 1ok4_c07 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 5 3 # 5 H 24 ASP B 64 ASP^? 1000.00 H 146 TYR B 6 TYR^? 1000.00 H 177 LYS B 8 LYS^? 1000.00 coo -51.11 100.30 51.41 -52.67 98.82 51.12 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 coo -58.70 94.17 45.32 -57.76 93.82 47.92 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo -54.32 88.79 48.13 -54.61 94.04 51.74 5.64 -35.04 -79.46 7.30 -40.97 -80.23 ULMN 3 1ok4_c07 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 6 3 # 6 H 24 ASP B 64 ASP^? 1000.00 H 146 TYR B 6 TYR^? 1000.00 H 177 LYS B 22 LYS^? 1000.00 coo -51.11 100.30 51.41 -52.67 98.82 51.12 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 coo -58.70 94.17 45.32 -57.76 93.82 47.92 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo -54.32 88.79 48.13 -54.61 94.04 51.74 4.13 -39.33 -88.23 6.19 -44.05 -91.97 1ok4_c07 source 1ok4 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASS I : 6 hits 1ok4_c07 naa= 3 ULMN 3 1ok4_c08 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 1 3 # 1 I 24 ASP A 19 ASP~? 1000.00 I 146 TYR A 6 TYR^? 1000.00 I 177 LYS A 23 LYS.? 1000.00 coo -54.65 81.97 26.87 -55.88 81.89 25.07 29.74 -27.57 -15.65 30.35 -27.04 -13.70 coo -59.92 86.62 17.74 -59.42 83.94 18.40 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo -55.38 81.61 14.50 -57.11 80.05 20.41 32.67 -20.15 -23.43 38.88 -20.02 -24.22 ULMN 3 1ok4_c08 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 2 3 # 2 I 24 ASP A 64 ASP^? 1000.00 I 146 TYR A 6 TYR^? 1000.00 I 177 LYS A 8 LYS^? 1000.00 coo -54.65 81.97 26.87 -55.88 81.89 25.07 29.43 -11.47 -24.77 28.22 -12.20 -26.29 coo -59.92 86.62 17.74 -59.42 83.94 18.40 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo -55.38 81.61 14.50 -57.11 80.05 20.41 27.50 -22.43 -30.09 31.82 -26.84 -29.34 ULMN 3 1ok4_c08 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 3 3 # 3 I 24 ASP A 64 ASP^? 1000.00 I 146 TYR A 6 TYR^? 1000.00 I 177 LYS A 22 LYS~? 1000.00 coo -54.65 81.97 26.87 -55.88 81.89 25.07 29.43 -11.47 -24.77 28.22 -12.20 -26.29 coo -59.92 86.62 17.74 -59.42 83.94 18.40 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo -55.38 81.61 14.50 -57.11 80.05 20.41 31.99 -23.27 -21.33 35.03 -27.43 -17.58 ULMN 3 1ok4_c08 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 4 3 # 4 I 24 ASP B 19 ASP^? 1000.00 I 146 TYR B 6 TYR^? 1000.00 I 177 LYS B 23 LYS^? 1000.00 coo -54.65 81.97 26.87 -55.88 81.89 25.07 8.97 -39.53 -93.90 8.21 -39.80 -95.86 coo -59.92 86.62 17.74 -59.42 83.94 18.40 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo -55.38 81.61 14.50 -57.11 80.05 20.41 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 ULMN 3 1ok4_c08 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 5 3 # 5 I 24 ASP B 64 ASP^? 1000.00 I 146 TYR B 6 TYR^? 1000.00 I 177 LYS B 8 LYS^? 1000.00 coo -54.65 81.97 26.87 -55.88 81.89 25.07 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 coo -59.92 86.62 17.74 -59.42 83.94 18.40 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo -55.38 81.61 14.50 -57.11 80.05 20.41 5.64 -35.04 -79.46 7.30 -40.97 -80.23 ULMN 3 1ok4_c08 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 6 3 # 6 I 24 ASP B 64 ASP^? 1000.00 I 146 TYR B 6 TYR^? 1000.00 I 177 LYS B 22 LYS^? 1000.00 coo -54.65 81.97 26.87 -55.88 81.89 25.07 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 coo -59.92 86.62 17.74 -59.42 83.94 18.40 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo -55.38 81.61 14.50 -57.11 80.05 20.41 4.13 -39.33 -88.23 6.19 -44.05 -91.97 1ok4_c08 source 1ok4 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASS I : 6 hits 1ok4_c08 naa= 3 ULMN 3 1ok4_c09 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 1 3 # 1 J 24 ASP A 19 ASP~? 1000.00 J 146 TYR A 6 TYR^? 1000.00 J 177 LYS A 23 LYS.? 1000.00 coo -50.64 99.08 1.52 -51.52 100.83 0.67 29.74 -27.57 -15.65 30.35 -27.04 -13.70 coo -54.74 109.84 1.86 -54.04 108.22 -0.34 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo -49.01 110.53 -2.89 -51.59 104.72 -2.78 32.67 -20.15 -23.43 38.88 -20.02 -24.22 ULMN 3 1ok4_c09 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 2 3 # 2 J 24 ASP A 64 ASP^? 1000.00 J 146 TYR A 6 TYR^? 1000.00 J 177 LYS A 8 LYS^? 1000.00 coo -50.64 99.08 1.52 -51.52 100.83 0.67 29.43 -11.47 -24.77 28.22 -12.20 -26.29 coo -54.74 109.84 1.86 -54.04 108.22 -0.34 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo -49.01 110.53 -2.89 -51.59 104.72 -2.78 27.50 -22.43 -30.09 31.82 -26.84 -29.34 ULMN 3 1ok4_c09 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 3 3 # 3 J 24 ASP A 64 ASP^? 1000.00 J 146 TYR A 6 TYR^? 1000.00 J 177 LYS A 22 LYS~? 1000.00 coo -50.64 99.08 1.52 -51.52 100.83 0.67 29.43 -11.47 -24.77 28.22 -12.20 -26.29 coo -54.74 109.84 1.86 -54.04 108.22 -0.34 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo -49.01 110.53 -2.89 -51.59 104.72 -2.78 31.99 -23.27 -21.33 35.03 -27.43 -17.58 ULMN 3 1ok4_c09 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 4 3 # 4 J 24 ASP B 19 ASP^? 1000.00 J 146 TYR B 6 TYR^? 1000.00 J 177 LYS B 23 LYS^? 1000.00 coo -50.64 99.08 1.52 -51.52 100.83 0.67 8.97 -39.53 -93.90 8.21 -39.80 -95.86 coo -54.74 109.84 1.86 -54.04 108.22 -0.34 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo -49.01 110.53 -2.89 -51.59 104.72 -2.78 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 ULMN 3 1ok4_c09 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 5 3 # 5 J 24 ASP B 64 ASP^? 1000.00 J 146 TYR B 6 TYR^? 1000.00 J 177 LYS B 8 LYS^? 1000.00 coo -50.64 99.08 1.52 -51.52 100.83 0.67 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 coo -54.74 109.84 1.86 -54.04 108.22 -0.34 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo -49.01 110.53 -2.89 -51.59 104.72 -2.78 5.64 -35.04 -79.46 7.30 -40.97 -80.23 ULMN 3 1ok4_c09 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASSuser 6 3 # 6 J 24 ASP B 64 ASP^? 1000.00 J 146 TYR B 6 TYR^? 1000.00 J 177 LYS B 22 LYS^? 1000.00 coo -50.64 99.08 1.52 -51.52 100.83 0.67 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 coo -54.74 109.84 1.86 -54.04 108.22 -0.34 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo -49.01 110.53 -2.89 -51.59 104.72 -2.78 4.13 -39.33 -88.23 6.19 -44.05 -91.97 1ok4_c09 source 1ok4 FRUCTOSE-BISPHOSPHATE ALDOLASE CLASS I : 6 hits 1ok4_c09 naa= 3 ULMN 3 1onr_c00 TRANSALDOLASE B user 1 3 # 1 A 17 ASP A 120 ASP^? 1000.00 A 96 GLU A 124 GLU^? 1000.00 A 132 LYS A 61 LYS^? 1000.00 coo 31.23 12.29 16.44 30.82 11.56 18.39 23.87 -3.65 -16.49 25.85 -2.89 -16.34 coo 26.82 3.20 24.36 27.99 4.86 24.98 24.17 -8.38 -29.24 26.07 -8.88 -30.07 coo 29.99 0.62 22.18 30.38 6.69 20.81 21.64 -11.48 -26.11 26.63 -11.26 -28.52 ULMN 3 1onr_c00 TRANSALDOLASE B user 2 3 # 2 A 17 ASP A 127 ASP^? 1000.00 A 96 GLU A 124 GLU^? 1000.00 A 132 LYS A 61 LYS^? 1000.00 coo 31.23 12.29 16.44 30.82 11.56 18.39 18.62 -12.41 -38.39 16.82 -11.65 -37.54 coo 26.82 3.20 24.36 27.99 4.86 24.98 24.17 -8.38 -29.24 26.07 -8.88 -30.07 coo 29.99 0.62 22.18 30.38 6.69 20.81 21.64 -11.48 -26.11 26.63 -11.26 -28.52 ULMN 3 1onr_c00 TRANSALDOLASE B user 3 3 # 3 A 17 ASP B 120 ASP^? 1000.00 A 96 GLU B 124 GLU^? 1000.00 A 132 LYS B 61 LYS^? 1000.00 coo 31.23 12.29 16.44 30.82 11.56 18.39 -8.78 -22.48 -93.04 -10.45 -23.81 -93.19 coo 26.82 3.20 24.36 27.99 4.86 24.98 -4.84 -25.10 -80.31 -5.35 -27.01 -79.49 coo 29.99 0.62 22.18 30.38 6.69 20.81 -0.89 -24.47 -83.43 -3.57 -28.69 -81.00 ULMN 3 1onr_c00 TRANSALDOLASE B user 4 3 # 4 A 17 ASP B 127 ASP^? 1000.00 A 96 GLU B 124 GLU^? 1000.00 A 132 LYS B 61 LYS^? 1000.00 coo 31.23 12.29 16.44 30.82 11.56 18.39 1.44 -22.32 -71.15 1.70 -20.39 -72.00 coo 26.82 3.20 24.36 27.99 4.86 24.98 -4.84 -25.10 -80.31 -5.35 -27.01 -79.49 coo 29.99 0.62 22.18 30.38 6.69 20.81 -0.89 -24.47 -83.43 -3.57 -28.69 -81.00 1onr_c00 source 1onr TRANSALDOLASE B : 4 hits 1onr_c00 naa= 3 ULMN 3 1onr_c01 TRANSALDOLASE B user 1 3 # 1 B 17 ASP A 120 ASP^? 1000.00 B 96 GLU A 124 GLU^? 1000.00 B 132 LYS A 61 LYS^? 1000.00 coo 31.16 57.31 -0.94 30.73 56.64 1.01 23.87 -3.65 -16.49 25.85 -2.89 -16.34 coo 26.69 48.45 7.18 27.85 50.13 7.74 24.17 -8.38 -29.24 26.07 -8.88 -30.07 coo 29.82 45.80 5.07 30.26 51.81 3.56 21.64 -11.48 -26.11 26.63 -11.26 -28.52 ULMN 3 1onr_c01 TRANSALDOLASE B user 2 3 # 2 B 17 ASP A 127 ASP^? 1000.00 B 96 GLU A 124 GLU^? 1000.00 B 132 LYS A 61 LYS^? 1000.00 coo 31.16 57.31 -0.94 30.73 56.64 1.01 18.62 -12.41 -38.39 16.82 -11.65 -37.54 coo 26.69 48.45 7.18 27.85 50.13 7.74 24.17 -8.38 -29.24 26.07 -8.88 -30.07 coo 29.82 45.80 5.07 30.26 51.81 3.56 21.64 -11.48 -26.11 26.63 -11.26 -28.52 ULMN 3 1onr_c01 TRANSALDOLASE B user 3 3 # 3 B 17 ASP B 120 ASP^? 1000.00 B 96 GLU B 124 GLU^? 1000.00 B 132 LYS B 61 LYS^? 1000.00 coo 31.16 57.31 -0.94 30.73 56.64 1.01 -8.78 -22.48 -93.04 -10.45 -23.81 -93.19 coo 26.69 48.45 7.18 27.85 50.13 7.74 -4.84 -25.10 -80.31 -5.35 -27.01 -79.49 coo 29.82 45.80 5.07 30.26 51.81 3.56 -0.89 -24.47 -83.43 -3.57 -28.69 -81.00 ULMN 3 1onr_c01 TRANSALDOLASE B user 4 3 # 4 B 17 ASP B 127 ASP^? 1000.00 B 96 GLU B 124 GLU^? 1000.00 B 132 LYS B 61 LYS^? 1000.00 coo 31.16 57.31 -0.94 30.73 56.64 1.01 1.44 -22.32 -71.15 1.70 -20.39 -72.00 coo 26.69 48.45 7.18 27.85 50.13 7.74 -4.84 -25.10 -80.31 -5.35 -27.01 -79.49 coo 29.82 45.80 5.07 30.26 51.81 3.56 -0.89 -24.47 -83.43 -3.57 -28.69 -81.00 1onr_c01 source 1onr TRANSALDOLASE B : 4 hits 1onr_c01 naa= 3 ULMN 3 1oyg_c00 LEVANSUCRASE user 1 3 # 1 A 86 ASP A 4 ASP^? 1000.00 A 247 ASP A 18 ASP~? 1000.00 A 342 GLU A 26 GLU^? 1000.00 coo 44.36 35.68 9.71 43.29 36.20 11.51 19.46 -21.33 -18.77 18.88 -20.63 -16.86 coo 41.40 28.81 12.91 40.82 30.90 12.97 26.87 -23.27 -16.72 26.31 -23.96 -18.62 coo 40.37 33.11 18.06 39.99 34.93 17.06 25.58 -17.25 -21.04 25.74 -16.50 -19.06 ULMN 3 1oyg_c00 LEVANSUCRASE user 2 3 # 2 A 86 ASP B 4 ASP^? 1000.00 A 247 ASP B 18 ASP^? 1000.00 A 342 GLU B 26 GLU^? 1000.00 coo 44.36 35.68 9.71 43.29 36.20 11.51 8.72 -27.52 -90.78 8.40 -26.67 -92.69 coo 41.40 28.81 12.91 40.82 30.90 12.97 6.68 -34.89 -92.82 7.57 -34.75 -90.92 coo 40.37 33.11 18.06 39.99 34.93 17.06 2.14 -30.76 -88.51 1.40 -30.52 -90.48 1oyg_c00 source 1oyg LEVANSUCRASE : 2 hits 1oyg_c00 naa= 3 ULMN 3 1p1x_c00 DEOXYRIBOSE-PHOSPHATE ALDOLASE user 1 3 # 1 A 102 ASP A 18 ASP~? 1000.00 A 167 LYS A 22 LYS~? 1000.00 A 201 LYS A 23 LYS.? 1000.00 coo 26.53 8.31 20.37 28.45 8.41 19.40 26.87 -23.27 -16.72 26.31 -23.96 -18.62 coo 24.92 6.08 13.38 27.75 4.33 18.83 31.99 -23.27 -21.33 35.03 -27.43 -17.58 coo 29.08 5.53 11.69 30.46 5.61 17.93 32.67 -20.15 -23.43 38.88 -20.02 -24.22 ULMN 3 1p1x_c00 DEOXYRIBOSE-PHOSPHATE ALDOLASE user 2 3 # 2 A 102 ASP A 19 ASP~? 1000.00 A 167 LYS A 22 LYS~? 1000.00 A 201 LYS A 23 LYS.? 1000.00 coo 26.53 8.31 20.37 28.45 8.41 19.40 29.74 -27.57 -15.65 30.35 -27.04 -13.70 coo 24.92 6.08 13.38 27.75 4.33 18.83 31.99 -23.27 -21.33 35.03 -27.43 -17.58 coo 29.08 5.53 11.69 30.46 5.61 17.93 32.67 -20.15 -23.43 38.88 -20.02 -24.22 ULMN 3 1p1x_c00 DEOXYRIBOSE-PHOSPHATE ALDOLASE user 3 3 # 3 A 102 ASP B 18 ASP^? 1000.00 A 167 LYS B 22 LYS^? 1000.00 A 201 LYS B 23 LYS^? 1000.00 coo 26.53 8.31 20.37 28.45 8.41 19.40 6.68 -34.89 -92.82 7.57 -34.75 -90.92 coo 24.92 6.08 13.38 27.75 4.33 18.83 4.13 -39.33 -88.23 6.19 -44.05 -91.97 coo 29.08 5.53 11.69 30.46 5.61 17.93 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 ULMN 3 1p1x_c00 DEOXYRIBOSE-PHOSPHATE ALDOLASE user 4 3 # 4 A 102 ASP B 19 ASP^? 1000.00 A 167 LYS B 22 LYS^? 1000.00 A 201 LYS B 23 LYS^? 1000.00 coo 26.53 8.31 20.37 28.45 8.41 19.40 8.97 -39.53 -93.90 8.21 -39.80 -95.86 coo 24.92 6.08 13.38 27.75 4.33 18.83 4.13 -39.33 -88.23 6.19 -44.05 -91.97 coo 29.08 5.53 11.69 30.46 5.61 17.93 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 1p1x_c00 source 1p1x DEOXYRIBOSE-PHOSPHATE ALDOLASE : 4 hits 1p1x_c00 naa= 3 ULMN 3 1p1x_c01 DEOXYRIBOSE-PHOSPHATE ALDOLASE user 1 3 # 1 B1102 ASP A 18 ASP~? 1000.00 B1167 LYS A 22 LYS~? 1000.00 B1201 LYS A 23 LYS.? 1000.00 coo 26.10 12.11 49.61 24.19 12.48 50.51 26.87 -23.27 -16.72 26.31 -23.96 -18.62 coo 27.70 11.69 56.92 24.82 8.55 52.12 31.99 -23.27 -21.33 35.03 -27.43 -17.58 coo 23.50 11.64 58.67 22.19 10.19 52.59 32.67 -20.15 -23.43 38.88 -20.02 -24.22 ULMN 3 1p1x_c01 DEOXYRIBOSE-PHOSPHATE ALDOLASE user 2 3 # 2 B1102 ASP A 19 ASP~? 1000.00 B1167 LYS A 22 LYS~? 1000.00 B1201 LYS A 23 LYS.? 1000.00 coo 26.10 12.11 49.61 24.19 12.48 50.51 29.74 -27.57 -15.65 30.35 -27.04 -13.70 coo 27.70 11.69 56.92 24.82 8.55 52.12 31.99 -23.27 -21.33 35.03 -27.43 -17.58 coo 23.50 11.64 58.67 22.19 10.19 52.59 32.67 -20.15 -23.43 38.88 -20.02 -24.22 ULMN 3 1p1x_c01 DEOXYRIBOSE-PHOSPHATE ALDOLASE user 3 3 # 3 B1102 ASP B 18 ASP^? 1000.00 B1167 LYS B 22 LYS^? 1000.00 B1201 LYS B 23 LYS^? 1000.00 coo 26.10 12.11 49.61 24.19 12.48 50.51 6.68 -34.89 -92.82 7.57 -34.75 -90.92 coo 27.70 11.69 56.92 24.82 8.55 52.12 4.13 -39.33 -88.23 6.19 -44.05 -91.97 coo 23.50 11.64 58.67 22.19 10.19 52.59 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 ULMN 3 1p1x_c01 DEOXYRIBOSE-PHOSPHATE ALDOLASE user 4 3 # 4 B1102 ASP B 19 ASP^? 1000.00 B1167 LYS B 22 LYS^? 1000.00 B1201 LYS B 23 LYS^? 1000.00 coo 26.10 12.11 49.61 24.19 12.48 50.51 8.97 -39.53 -93.90 8.21 -39.80 -95.86 coo 27.70 11.69 56.92 24.82 8.55 52.12 4.13 -39.33 -88.23 6.19 -44.05 -91.97 coo 23.50 11.64 58.67 22.19 10.19 52.59 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 1p1x_c01 source 1p1x DEOXYRIBOSE-PHOSPHATE ALDOLASE : 4 hits 1p1x_c01 naa= 3 ULMN 3 1p7m_c00 DNA-3-METHYLADENINE GLYCOSYLASE I user 1 3 # 1 A 16 TYR A 6 TYR^? 1000.00 A 38 GLU A 15 GLU.? 1000.00 A 46 TRP A 24 TRP.? 1000.00 coo 141.05 24.62 -1.85 142.62 22.60 -2.97 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo 142.20 14.40 -6.46 142.04 16.49 -6.62 31.83 -13.52 -21.46 31.81 -11.49 -22.03 coo 137.32 22.45 -5.52 140.17 20.39 -3.63 29.50 -23.82 -24.98 26.46 -25.33 -26.95 ULMN 3 1p7m_c00 DNA-3-METHYLADENINE GLYCOSYLASE I user 2 3 # 2 A 16 TYR A 6 TYR^? 1000.00 A 38 GLU A 84 GLU^? 1000.00 A 46 TRP A 24 TRP.? 1000.00 coo 141.05 24.62 -1.85 142.62 22.60 -2.97 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo 142.20 14.40 -6.46 142.04 16.49 -6.62 25.54 -27.52 -32.09 27.26 -28.36 -31.17 coo 137.32 22.45 -5.52 140.17 20.39 -3.63 29.50 -23.82 -24.98 26.46 -25.33 -26.95 ULMN 3 1p7m_c00 DNA-3-METHYLADENINE GLYCOSYLASE I user 3 3 # 3 A 16 TYR B 6 TYR^? 1000.00 A 38 GLU B 15 GLU^? 1000.00 A 46 TRP B 24 TRP^? 1000.00 coo 141.05 24.62 -1.85 142.62 22.60 -2.97 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo 142.20 14.40 -6.46 142.04 16.49 -6.62 -4.24 -34.31 -88.08 -5.97 -33.27 -87.50 coo 137.32 22.45 -5.52 140.17 20.39 -3.63 5.85 -37.46 -84.57 8.68 -35.58 -82.60 ULMN 3 1p7m_c00 DNA-3-METHYLADENINE GLYCOSYLASE I user 4 3 # 4 A 16 TYR B 6 TYR^? 1000.00 A 38 GLU B 84 GLU^? 1000.00 A 46 TRP B 24 TRP^? 1000.00 coo 141.05 24.62 -1.85 142.62 22.60 -2.97 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo 142.20 14.40 -6.46 142.04 16.49 -6.62 11.05 -35.89 -77.46 10.93 -37.79 -78.39 coo 137.32 22.45 -5.52 140.17 20.39 -3.63 5.85 -37.46 -84.57 8.68 -35.58 -82.60 1p7m_c00 source 1p7m DNA-3-METHYLADENINE GLYCOSYLASE I : 4 hits 1p7m_c00 naa= 3 ULMN 3 1pj5_c00 N,N-DIMETHYLGLYCINE OXIDASE user 1 3 # 1 A 225 HIS A 104 HIS^? 1000.00 A 259 TYR A 130 TYR^? 1000.00 A 552 ASP B 10 ASP^? 1000.00 coo 11.34 95.90 25.54 12.13 96.42 23.67 26.00 -25.83 -44.92 27.18 -27.45 -45.56 coo 14.91 97.39 18.63 13.39 95.60 20.20 19.24 -22.19 -40.85 16.56 -22.21 -40.14 coo 46.37 82.54 38.83 45.97 84.66 38.77 4.17 -39.92 -73.48 6.27 -39.73 -73.56 ULMN 3 1pj5_c00 N,N-DIMETHYLGLYCINE OXIDASE user 2 3 # 2 A 225 HIS B 104 HIS^? 1000.00 A 259 TYR B 130 TYR^? 1000.00 A 552 ASP A 10 ASP.? 1000.00 coo 11.34 95.90 25.54 12.13 96.42 23.67 9.35 -35.44 -64.63 10.17 -37.27 -64.00 coo 14.91 97.39 18.63 13.39 95.60 20.20 9.59 -27.76 -68.70 10.95 -25.45 -69.40 coo 46.37 82.54 38.83 45.97 84.66 38.77 32.49 -23.60 -36.06 31.26 -25.30 -35.99 1pj5_c00 source 1pj5 N,N-DIMETHYLGLYCINE OXIDASE : 2 hits 1pj5_c00 naa= 3 ULMN 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 1 3 # 1 A 70 ALA A 66 ALA^? 1000.00 A 126 LEU A 70 LEU^? 1000.00 A 158 GLU A 124 GLU^? 1000.00 coo -2.29 37.66 144.73 -1.46 37.12 145.87 31.33 -12.63 -29.52 30.28 -13.70 -29.40 coo -4.62 32.83 147.14 -5.50 32.85 149.12 28.13 -11.32 -33.81 27.84 -13.10 -32.55 coo -0.83 29.57 149.77 -0.39 31.47 148.95 24.17 -8.38 -29.24 26.07 -8.88 -30.07 ULMN 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 2 3 # 2 A 70 ALA A 71 ALA^? 1000.00 A 126 LEU A 70 LEU^? 1000.00 A 158 GLU A 124 GLU^? 1000.00 coo -2.29 37.66 144.73 -1.46 37.12 145.87 29.48 -7.84 -36.23 30.12 -6.69 -35.49 coo -4.62 32.83 147.14 -5.50 32.85 149.12 28.13 -11.32 -33.81 27.84 -13.10 -32.55 coo -0.83 29.57 149.77 -0.39 31.47 148.95 24.17 -8.38 -29.24 26.07 -8.88 -30.07 ULMN 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 3 3 # 3 A 70 ALA B 66 ALA^? 1000.00 A 126 LEU B 70 LEU^? 1000.00 A 158 GLU B 124 GLU^? 1000.00 coo -2.29 37.66 144.73 -1.46 37.12 145.87 -4.74 -33.43 -80.02 -3.29 -33.06 -80.13 coo -4.62 32.83 147.14 -5.50 32.85 149.12 -4.27 -30.01 -75.73 -2.59 -30.64 -76.99 coo -0.83 29.57 149.77 -0.39 31.47 148.95 -4.84 -25.10 -80.31 -5.35 -27.01 -79.49 ULMN 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 4 3 # 4 A 70 ALA B 71 ALA^? 1000.00 A 126 LEU B 70 LEU^? 1000.00 A 158 GLU B 124 GLU^? 1000.00 coo -2.29 37.66 144.73 -1.46 37.12 145.87 -7.97 -29.45 -73.31 -9.28 -29.43 -74.05 coo -4.62 32.83 147.14 -5.50 32.85 149.12 -4.27 -30.01 -75.73 -2.59 -30.64 -76.99 coo -0.83 29.57 149.77 -0.39 31.47 148.95 -4.84 -25.10 -80.31 -5.35 -27.01 -79.49 1pjh_c00 source 1pjh ENOYL-COA ISOMERASE; ECI1P : 4 hits 1pjh_c00 naa= 3 ULMN 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 1 3 # 1 B 70 ALA A 66 ALA^? 1000.00 B 126 LEU A 70 LEU^? 1000.00 B 158 GLU A 124 GLU^? 1000.00 coo -39.79 4.61 147.27 -39.61 5.56 148.47 31.33 -12.63 -29.52 30.28 -13.70 -29.40 coo -34.22 5.06 149.25 -33.65 4.24 151.15 28.13 -11.32 -33.81 27.84 -13.10 -32.55 coo -33.03 9.93 151.71 -34.98 9.38 151.11 24.17 -8.38 -29.24 26.07 -8.88 -30.07 ULMN 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 2 3 # 2 B 70 ALA A 71 ALA^? 1000.00 B 126 LEU A 70 LEU^? 1000.00 B 158 GLU A 124 GLU^? 1000.00 coo -39.79 4.61 147.27 -39.61 5.56 148.47 29.48 -7.84 -36.23 30.12 -6.69 -35.49 coo -34.22 5.06 149.25 -33.65 4.24 151.15 28.13 -11.32 -33.81 27.84 -13.10 -32.55 coo -33.03 9.93 151.71 -34.98 9.38 151.11 24.17 -8.38 -29.24 26.07 -8.88 -30.07 ULMN 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 3 3 # 3 B 70 ALA B 66 ALA^? 1000.00 B 126 LEU B 70 LEU^? 1000.00 B 158 GLU B 124 GLU^? 1000.00 coo -39.79 4.61 147.27 -39.61 5.56 148.47 -4.74 -33.43 -80.02 -3.29 -33.06 -80.13 coo -34.22 5.06 149.25 -33.65 4.24 151.15 -4.27 -30.01 -75.73 -2.59 -30.64 -76.99 coo -33.03 9.93 151.71 -34.98 9.38 151.11 -4.84 -25.10 -80.31 -5.35 -27.01 -79.49 ULMN 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 4 3 # 4 B 70 ALA B 71 ALA^? 1000.00 B 126 LEU B 70 LEU^? 1000.00 B 158 GLU B 124 GLU^? 1000.00 coo -39.79 4.61 147.27 -39.61 5.56 148.47 -7.97 -29.45 -73.31 -9.28 -29.43 -74.05 coo -34.22 5.06 149.25 -33.65 4.24 151.15 -4.27 -30.01 -75.73 -2.59 -30.64 -76.99 coo -33.03 9.93 151.71 -34.98 9.38 151.11 -4.84 -25.10 -80.31 -5.35 -27.01 -79.49 1pjh_c01 source 1pjh ENOYL-COA ISOMERASE; ECI1P : 4 hits 1pjh_c01 naa= 3 ULMN 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 1 3 # 1 C 70 ALA A 66 ALA^? 1000.00 C 126 LEU A 70 LEU^? 1000.00 C 158 GLU A 124 GLU^? 1000.00 coo 7.77 -11.41 146.15 6.88 -11.77 147.32 31.33 -12.63 -29.52 30.28 -13.70 -29.40 coo 4.88 -6.81 148.13 5.33 -5.89 150.06 28.13 -11.32 -33.81 27.84 -13.10 -32.55 coo 0.03 -8.25 150.96 1.55 -9.64 150.41 24.17 -8.38 -29.24 26.07 -8.88 -30.07 ULMN 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 2 3 # 2 C 70 ALA A 71 ALA^? 1000.00 C 126 LEU A 70 LEU^? 1000.00 C 158 GLU A 124 GLU^? 1000.00 coo 7.77 -11.41 146.15 6.88 -11.77 147.32 29.48 -7.84 -36.23 30.12 -6.69 -35.49 coo 4.88 -6.81 148.13 5.33 -5.89 150.06 28.13 -11.32 -33.81 27.84 -13.10 -32.55 coo 0.03 -8.25 150.96 1.55 -9.64 150.41 24.17 -8.38 -29.24 26.07 -8.88 -30.07 ULMN 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 3 3 # 3 C 70 ALA B 66 ALA^? 1000.00 C 126 LEU B 70 LEU^? 1000.00 C 158 GLU B 124 GLU^? 1000.00 coo 7.77 -11.41 146.15 6.88 -11.77 147.32 -4.74 -33.43 -80.02 -3.29 -33.06 -80.13 coo 4.88 -6.81 148.13 5.33 -5.89 150.06 -4.27 -30.01 -75.73 -2.59 -30.64 -76.99 coo 0.03 -8.25 150.96 1.55 -9.64 150.41 -4.84 -25.10 -80.31 -5.35 -27.01 -79.49 ULMN 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 4 3 # 4 C 70 ALA B 71 ALA^? 1000.00 C 126 LEU B 70 LEU^? 1000.00 C 158 GLU B 124 GLU^? 1000.00 coo 7.77 -11.41 146.15 6.88 -11.77 147.32 -7.97 -29.45 -73.31 -9.28 -29.43 -74.05 coo 4.88 -6.81 148.13 5.33 -5.89 150.06 -4.27 -30.01 -75.73 -2.59 -30.64 -76.99 coo 0.03 -8.25 150.96 1.55 -9.64 150.41 -4.84 -25.10 -80.31 -5.35 -27.01 -79.49 1pjh_c02 source 1pjh ENOYL-COA ISOMERASE; ECI1P : 4 hits 1pjh_c02 naa= 3 ULMN 3 1pjq_c02 SIROHEME SYNTHASE user 1 3 # 1 A 248 ASP A 13 ASP.? 1000.00 A 270 LYS A 8 LYS^? 1000.00 A 382 MET A 63 MET?? 1000.00 coo -27.63 121.99 45.48 -26.66 123.86 45.68 35.39 -17.87 -27.45 36.78 -19.31 -28.08 coo -32.20 115.91 49.56 -31.37 121.03 53.12 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo -23.75 127.89 58.42 -26.02 128.79 55.12 27.13 -7.65 -25.73 28.77 -3.97 -27.05 ULMN 3 1pjq_c02 SIROHEME SYNTHASE user 2 3 # 2 A 248 ASP A 13 ASP.? 1000.00 A 270 LYS A 11 LYS.? 1000.00 A 382 MET A 63 MET?? 1000.00 coo -27.63 121.99 45.48 -26.66 123.86 45.68 35.39 -17.87 -27.45 36.78 -19.31 -28.08 coo -32.20 115.91 49.56 -31.37 121.03 53.12 35.58 -20.94 -33.59 38.95 -22.16 -38.38 coo -23.75 127.89 58.42 -26.02 128.79 55.12 27.13 -7.65 -25.73 28.77 -3.97 -27.05 ULMN 3 1pjq_c02 SIROHEME SYNTHASE user 3 3 # 3 A 248 ASP A 13 ASP.? 1000.00 A 270 LYS A 22 LYS~? 1000.00 A 382 MET A 63 MET?? 1000.00 coo -27.63 121.99 45.48 -26.66 123.86 45.68 35.39 -17.87 -27.45 36.78 -19.31 -28.08 coo -32.20 115.91 49.56 -31.37 121.03 53.12 31.99 -23.27 -21.33 35.03 -27.43 -17.58 coo -23.75 127.89 58.42 -26.02 128.79 55.12 27.13 -7.65 -25.73 28.77 -3.97 -27.05 ULMN 3 1pjq_c02 SIROHEME SYNTHASE user 4 3 # 4 A 248 ASP B 13 ASP^? 1000.00 A 270 LYS B 8 LYS^? 1000.00 A 382 MET B 63 MET?? 1000.00 coo -27.63 121.99 45.48 -26.66 123.86 45.68 -2.24 -39.57 -82.10 -1.69 -41.51 -81.47 coo -32.20 115.91 49.56 -31.37 121.03 53.12 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo -23.75 127.89 58.42 -26.02 128.79 55.12 -6.95 -27.29 -83.81 -10.96 -26.85 -82.49 ULMN 3 1pjq_c02 SIROHEME SYNTHASE user 5 3 # 5 A 248 ASP B 13 ASP^? 1000.00 A 270 LYS B 11 LYS^? 1000.00 A 382 MET B 63 MET?? 1000.00 coo -27.63 121.99 45.48 -26.66 123.86 45.68 -2.24 -39.57 -82.10 -1.69 -41.51 -81.47 coo -32.20 115.91 49.56 -31.37 121.03 53.12 0.33 -41.28 -75.95 -0.30 -44.81 -71.18 coo -23.75 127.89 58.42 -26.02 128.79 55.12 -6.95 -27.29 -83.81 -10.96 -26.85 -82.49 ULMN 3 1pjq_c02 SIROHEME SYNTHASE user 6 3 # 6 A 248 ASP B 13 ASP^? 1000.00 A 270 LYS B 22 LYS^? 1000.00 A 382 MET B 63 MET?? 1000.00 coo -27.63 121.99 45.48 -26.66 123.86 45.68 -2.24 -39.57 -82.10 -1.69 -41.51 -81.47 coo -32.20 115.91 49.56 -31.37 121.03 53.12 4.13 -39.33 -88.23 6.19 -44.05 -91.97 coo -23.75 127.89 58.42 -26.02 128.79 55.12 -6.95 -27.29 -83.81 -10.96 -26.85 -82.49 1pjq_c02 source 1pjq SIROHEME SYNTHASE : 6 hits 1pjq_c02 naa= 3 ULMN 3 1pjq_c03 SIROHEME SYNTHASE user 1 3 # 1 B 248 ASP A 13 ASP.? 1000.00 B 270 LYS A 8 LYS^? 1000.00 B 382 MET A 63 MET?? 1000.00 coo -11.82 154.51 43.38 -12.86 152.74 43.79 35.39 -17.87 -27.45 36.78 -19.31 -28.08 coo -5.09 158.39 43.41 -0.74 158.80 47.15 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo -2.79 145.52 50.38 -5.75 148.14 51.66 27.13 -7.65 -25.73 28.77 -3.97 -27.05 ULMN 3 1pjq_c03 SIROHEME SYNTHASE user 2 3 # 2 B 248 ASP B 13 ASP^? 1000.00 B 270 LYS B 8 LYS^? 1000.00 B 382 MET B 63 MET?? 1000.00 coo -11.82 154.51 43.38 -12.86 152.74 43.79 -2.24 -39.57 -82.10 -1.69 -41.51 -81.47 coo -5.09 158.39 43.41 -0.74 158.80 47.15 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo -2.79 145.52 50.38 -5.75 148.14 51.66 -6.95 -27.29 -83.81 -10.96 -26.85 -82.49 1pjq_c03 source 1pjq SIROHEME SYNTHASE : 2 hits 1pjq_c03 naa= 3 ULMN 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 1 3 # 1 A 67 ASP A 64 ASP^? 1000.00 A 68 ALA A 66 ALA^? 1000.00 A 72 LEU A 70 LEU^? 1000.00 coo 46.76 7.59 18.65 45.27 6.01 18.52 29.43 -11.47 -24.77 28.22 -12.20 -26.29 coo 48.88 4.35 16.59 48.73 5.09 15.20 31.33 -12.63 -29.52 30.28 -13.70 -29.40 coo 53.89 6.25 15.09 52.88 7.92 14.14 28.13 -11.32 -33.81 27.84 -13.10 -32.55 ULMN 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 2 3 # 2 A 67 ASP B 64 ASP^? 1000.00 A 68 ALA B 66 ALA^? 1000.00 A 72 LEU B 70 LEU^? 1000.00 coo 46.76 7.59 18.65 45.27 6.01 18.52 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 coo 48.88 4.35 16.59 48.73 5.09 15.20 -4.74 -33.43 -80.02 -3.29 -33.06 -80.13 coo 53.89 6.25 15.09 52.88 7.92 14.14 -4.27 -30.01 -75.73 -2.59 -30.64 -76.99 1q6l_c05 source 1q6l 3-KETO-L-GULONATE 6-PHOSPHATE DECARBOXYLASE : 2 hits 1q6l_c05 naa= 3 ULMN 3 1qfe_c00 3-DEHYDROQUINATE DEHYDRATASE user 1 3 # 1 A 86 GLU A 86 GLU^? 1000.00 A 143 HIS A 21 HIS~? 1000.00 A 170 LYS A 22 LYS~? 1000.00 coo -2.40 27.37 52.92 -1.22 29.09 52.71 21.78 -27.43 -25.47 23.65 -28.43 -25.48 coo 1.36 26.79 49.43 3.17 26.89 50.50 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo 7.24 31.80 48.14 6.27 25.92 49.70 31.99 -23.27 -21.33 35.03 -27.43 -17.58 ULMN 3 1qfe_c00 3-DEHYDROQUINATE DEHYDRATASE user 2 3 # 2 A 86 GLU A 86 GLU^? 1000.00 A 143 HIS A 21 HIS~? 1000.00 A 170 LYS A 23 LYS.? 1000.00 coo -2.40 27.37 52.92 -1.22 29.09 52.71 21.78 -27.43 -25.47 23.65 -28.43 -25.48 coo 1.36 26.79 49.43 3.17 26.89 50.50 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo 7.24 31.80 48.14 6.27 25.92 49.70 32.67 -20.15 -23.43 38.88 -20.02 -24.22 ULMN 3 1qfe_c00 3-DEHYDROQUINATE DEHYDRATASE user 3 3 # 3 A 86 GLU B 86 GLU^? 1000.00 A 143 HIS B 21 HIS^? 1000.00 A 170 LYS B 22 LYS^? 1000.00 coo -2.40 27.37 52.92 -1.22 29.09 52.71 12.86 -32.58 -84.08 12.77 -34.69 -84.08 coo 1.36 26.79 49.43 3.17 26.89 50.50 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo 7.24 31.80 48.14 6.27 25.92 49.70 4.13 -39.33 -88.23 6.19 -44.05 -91.97 ULMN 3 1qfe_c00 3-DEHYDROQUINATE DEHYDRATASE user 4 3 # 4 A 86 GLU B 86 GLU^? 1000.00 A 143 HIS B 21 HIS^? 1000.00 A 170 LYS B 23 LYS^? 1000.00 coo -2.40 27.37 52.92 -1.22 29.09 52.71 12.86 -32.58 -84.08 12.77 -34.69 -84.08 coo 1.36 26.79 49.43 3.17 26.89 50.50 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo 7.24 31.80 48.14 6.27 25.92 49.70 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 1qfe_c00 source 1qfe 3-DEHYDROQUINATE DEHYDRATASE : 4 hits 1qfe_c00 naa= 3 ULMN 3 1qfe_c01 3-DEHYDROQUINATE DEHYDRATASE user 1 3 # 1 B 86 GLU A 86 GLU^? 1000.00 B 143 HIS A 21 HIS~? 1000.00 B 170 LYS A 22 LYS~? 1000.00 coo 13.90 37.16 5.96 12.00 36.26 6.12 21.78 -27.43 -25.47 23.65 -28.43 -25.48 coo 13.52 33.69 9.79 13.20 31.83 8.88 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo 7.52 28.83 11.02 13.59 28.74 9.95 31.99 -23.27 -21.33 35.03 -27.43 -17.58 ULMN 3 1qfe_c01 3-DEHYDROQUINATE DEHYDRATASE user 2 3 # 2 B 86 GLU A 86 GLU^? 1000.00 B 143 HIS A 21 HIS~? 1000.00 B 170 LYS A 23 LYS.? 1000.00 coo 13.90 37.16 5.96 12.00 36.26 6.12 21.78 -27.43 -25.47 23.65 -28.43 -25.48 coo 13.52 33.69 9.79 13.20 31.83 8.88 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo 7.52 28.83 11.02 13.59 28.74 9.95 32.67 -20.15 -23.43 38.88 -20.02 -24.22 ULMN 3 1qfe_c01 3-DEHYDROQUINATE DEHYDRATASE user 3 3 # 3 B 86 GLU B 86 GLU^? 1000.00 B 143 HIS B 21 HIS^? 1000.00 B 170 LYS B 22 LYS^? 1000.00 coo 13.90 37.16 5.96 12.00 36.26 6.12 12.86 -32.58 -84.08 12.77 -34.69 -84.08 coo 13.52 33.69 9.79 13.20 31.83 8.88 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo 7.52 28.83 11.02 13.59 28.74 9.95 4.13 -39.33 -88.23 6.19 -44.05 -91.97 ULMN 3 1qfe_c01 3-DEHYDROQUINATE DEHYDRATASE user 4 3 # 4 B 86 GLU B 86 GLU^? 1000.00 B 143 HIS B 21 HIS^? 1000.00 B 170 LYS B 23 LYS^? 1000.00 coo 13.90 37.16 5.96 12.00 36.26 6.12 12.86 -32.58 -84.08 12.77 -34.69 -84.08 coo 13.52 33.69 9.79 13.20 31.83 8.88 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo 7.52 28.83 11.02 13.59 28.74 9.95 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 1qfe_c01 source 1qfe 3-DEHYDROQUINATE DEHYDRATASE : 4 hits 1qfe_c01 naa= 3 ULMN 3 1qgn_c08 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 # 1 A 163 TYR A 110 TYR^? 1000.00 A 236 ASP A 127 ASP^? 1000.00 A 261 LYS A 61 LYS^? 1000.00 coo 55.48 26.51 40.65 55.39 23.99 39.43 25.37 -7.28 -35.31 26.28 -6.16 -32.97 coo 48.87 29.19 44.63 49.10 27.34 43.63 18.62 -12.41 -38.39 16.82 -11.65 -37.54 coo 47.58 17.35 41.83 51.40 20.85 40.83 21.64 -11.48 -26.11 26.63 -11.26 -28.52 ULMN 3 1qgn_c08 CYSTATHIONINE GAMMA-SYNTHASE user 2 3 # 2 A 163 TYR B 110 TYR^? 1000.00 A 236 ASP B 127 ASP^? 1000.00 A 261 LYS B 61 LYS^? 1000.00 coo 55.48 26.51 40.65 55.39 23.99 39.43 -6.38 -25.61 -74.23 -7.82 -25.83 -76.58 coo 48.87 29.19 44.63 49.10 27.34 43.63 1.44 -22.32 -71.15 1.70 -20.39 -72.00 coo 47.58 17.35 41.83 51.40 20.85 40.83 -0.89 -24.47 -83.43 -3.57 -28.69 -81.00 1qgn_c08 source 1qgn CYSTATHIONINE GAMMA-SYNTHASE : 2 hits 1qgn_c08 naa= 3 ULMN 3 1qgn_c09 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 # 1 B 163 TYR A 110 TYR^? 1000.00 B 236 ASP A 127 ASP^? 1000.00 B 261 LYS A 61 LYS^? 1000.00 coo 32.99 -16.32 11.66 35.01 -14.70 12.72 25.37 -7.28 -35.31 26.28 -6.16 -32.97 coo 26.18 -12.82 8.91 27.87 -11.87 9.77 18.62 -12.41 -38.39 16.82 -11.65 -37.54 coo 34.76 -4.30 11.09 34.67 -9.53 11.78 21.64 -11.48 -26.11 26.63 -11.26 -28.52 ULMN 3 1qgn_c09 CYSTATHIONINE GAMMA-SYNTHASE user 2 3 # 2 B 163 TYR B 110 TYR^? 1000.00 B 236 ASP B 127 ASP^? 1000.00 B 261 LYS B 61 LYS^? 1000.00 coo 32.99 -16.32 11.66 35.01 -14.70 12.72 -6.38 -25.61 -74.23 -7.82 -25.83 -76.58 coo 26.18 -12.82 8.91 27.87 -11.87 9.77 1.44 -22.32 -71.15 1.70 -20.39 -72.00 coo 34.76 -4.30 11.09 34.67 -9.53 11.78 -0.89 -24.47 -83.43 -3.57 -28.69 -81.00 1qgn_c09 source 1qgn CYSTATHIONINE GAMMA-SYNTHASE : 2 hits 1qgn_c09 naa= 3 ULMN 3 1qgn_c10 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 # 1 C 163 TYR A 110 TYR^? 1000.00 C 236 ASP A 127 ASP^? 1000.00 C 261 LYS A 61 LYS^? 1000.00 coo 39.51 34.34 13.63 37.63 32.61 14.79 25.37 -7.28 -35.31 26.28 -6.16 -32.97 coo 45.78 31.11 9.51 44.25 30.06 10.53 18.62 -12.41 -38.39 16.82 -11.65 -37.54 coo 37.54 22.37 12.10 37.83 27.55 13.24 21.64 -11.48 -26.11 26.63 -11.26 -28.52 ULMN 3 1qgn_c10 CYSTATHIONINE GAMMA-SYNTHASE user 2 3 # 2 C 163 TYR B 110 TYR^? 1000.00 C 236 ASP B 127 ASP^? 1000.00 C 261 LYS B 61 LYS^? 1000.00 coo 39.51 34.34 13.63 37.63 32.61 14.79 -6.38 -25.61 -74.23 -7.82 -25.83 -76.58 coo 45.78 31.11 9.51 44.25 30.06 10.53 1.44 -22.32 -71.15 1.70 -20.39 -72.00 coo 37.54 22.37 12.10 37.83 27.55 13.24 -0.89 -24.47 -83.43 -3.57 -28.69 -81.00 1qgn_c10 source 1qgn CYSTATHIONINE GAMMA-SYNTHASE : 2 hits 1qgn_c10 naa= 3 ULMN 3 1qgn_c11 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 # 1 D 163 TYR A 110 TYR^? 1000.00 D 236 ASP A 127 ASP^? 1000.00 D 261 LYS A 61 LYS^? 1000.00 coo 21.28 -11.43 41.42 21.14 -8.83 40.39 25.37 -7.28 -35.31 26.28 -6.16 -32.97 coo 28.41 -14.31 44.14 27.98 -12.36 43.41 18.62 -12.41 -38.39 16.82 -11.65 -37.54 coo 29.23 -2.19 42.26 25.35 -5.68 41.50 21.64 -11.48 -26.11 26.63 -11.26 -28.52 ULMN 3 1qgn_c11 CYSTATHIONINE GAMMA-SYNTHASE user 2 3 # 2 D 163 TYR B 110 TYR^? 1000.00 D 236 ASP B 127 ASP^? 1000.00 D 261 LYS B 61 LYS^? 1000.00 coo 21.28 -11.43 41.42 21.14 -8.83 40.39 -6.38 -25.61 -74.23 -7.82 -25.83 -76.58 coo 28.41 -14.31 44.14 27.98 -12.36 43.41 1.44 -22.32 -71.15 1.70 -20.39 -72.00 coo 29.23 -2.19 42.26 25.35 -5.68 41.50 -0.89 -24.47 -83.43 -3.57 -28.69 -81.00 1qgn_c11 source 1qgn CYSTATHIONINE GAMMA-SYNTHASE : 2 hits 1qgn_c11 naa= 3 ULMN 3 1qgn_c12 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 # 1 E 163 TYR A 110 TYR^? 1000.00 E 236 ASP A 127 ASP^? 1000.00 E 261 LYS A 61 LYS^? 1000.00 coo 56.39 -25.68 -36.91 53.88 -25.46 -38.13 25.37 -7.28 -35.31 26.28 -6.16 -32.97 coo 59.54 -19.27 -32.99 57.70 -19.44 -33.97 18.62 -12.41 -38.39 16.82 -11.65 -37.54 coo 47.72 -17.32 -35.69 50.97 -21.34 -36.71 21.64 -11.48 -26.11 26.63 -11.26 -28.52 ULMN 3 1qgn_c12 CYSTATHIONINE GAMMA-SYNTHASE user 2 3 # 2 E 163 TYR B 110 TYR^? 1000.00 E 236 ASP B 127 ASP^? 1000.00 E 261 LYS B 61 LYS^? 1000.00 coo 56.39 -25.68 -36.91 53.88 -25.46 -38.13 -6.38 -25.61 -74.23 -7.82 -25.83 -76.58 coo 59.54 -19.27 -32.99 57.70 -19.44 -33.97 1.44 -22.32 -71.15 1.70 -20.39 -72.00 coo 47.72 -17.32 -35.69 50.97 -21.34 -36.71 -0.89 -24.47 -83.43 -3.57 -28.69 -81.00 1qgn_c12 source 1qgn CYSTATHIONINE GAMMA-SYNTHASE : 2 hits 1qgn_c12 naa= 3 ULMN 3 1qgn_c13 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 # 1 F 163 TYR A 110 TYR^? 1000.00 F 236 ASP A 127 ASP^? 1000.00 F 261 LYS A 61 LYS^? 1000.00 coo 14.88 -1.19 -65.80 16.37 -3.30 -64.72 25.37 -7.28 -35.31 26.28 -6.16 -32.97 coo 18.75 5.49 -68.65 19.58 3.75 -67.80 18.62 -12.41 -38.39 16.82 -11.65 -37.54 coo 26.66 -3.59 -66.44 21.49 -3.17 -65.71 21.64 -11.48 -26.11 26.63 -11.26 -28.52 ULMN 3 1qgn_c13 CYSTATHIONINE GAMMA-SYNTHASE user 2 3 # 2 F 163 TYR B 110 TYR^? 1000.00 F 236 ASP B 127 ASP^? 1000.00 F 261 LYS B 61 LYS^? 1000.00 coo 14.88 -1.19 -65.80 16.37 -3.30 -64.72 -6.38 -25.61 -74.23 -7.82 -25.83 -76.58 coo 18.75 5.49 -68.65 19.58 3.75 -67.80 1.44 -22.32 -71.15 1.70 -20.39 -72.00 coo 26.66 -3.59 -66.44 21.49 -3.17 -65.71 -0.89 -24.47 -83.43 -3.57 -28.69 -81.00 1qgn_c13 source 1qgn CYSTATHIONINE GAMMA-SYNTHASE : 2 hits 1qgn_c13 naa= 3 ULMN 3 1qgn_c14 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 # 1 G 163 TYR A 110 TYR^? 1000.00 G 236 ASP A 127 ASP^? 1000.00 G 261 LYS A 61 LYS^? 1000.00 coo 64.84 -10.79 -64.16 63.27 -8.78 -63.00 25.37 -7.28 -35.31 26.28 -6.16 -32.97 coo 61.22 -16.97 -68.13 60.30 -15.38 -67.08 18.62 -12.41 -38.39 16.82 -11.65 -37.54 coo 53.04 -8.15 -65.60 58.23 -8.69 -64.55 21.64 -11.48 -26.11 26.63 -11.26 -28.52 ULMN 3 1qgn_c14 CYSTATHIONINE GAMMA-SYNTHASE user 2 3 # 2 G 163 TYR B 110 TYR^? 1000.00 G 236 ASP B 127 ASP^? 1000.00 G 261 LYS B 61 LYS^? 1000.00 coo 64.84 -10.79 -64.16 63.27 -8.78 -63.00 -6.38 -25.61 -74.23 -7.82 -25.83 -76.58 coo 61.22 -16.97 -68.13 60.30 -15.38 -67.08 1.44 -22.32 -71.15 1.70 -20.39 -72.00 coo 53.04 -8.15 -65.60 58.23 -8.69 -64.55 -0.89 -24.47 -83.43 -3.57 -28.69 -81.00 1qgn_c14 source 1qgn CYSTATHIONINE GAMMA-SYNTHASE : 2 hits 1qgn_c14 naa= 3 ULMN 3 1qgn_c15 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 # 1 H 163 TYR A 110 TYR^? 1000.00 H 236 ASP A 127 ASP^? 1000.00 H 261 LYS A 61 LYS^? 1000.00 coo 20.90 10.83 -36.23 23.51 10.75 -37.23 25.37 -7.28 -35.31 26.28 -6.16 -32.97 coo 17.57 3.99 -33.38 19.51 4.24 -34.16 18.62 -12.41 -38.39 16.82 -11.65 -37.54 coo 29.54 2.32 -35.34 26.33 6.41 -36.17 21.64 -11.48 -26.11 26.63 -11.26 -28.52 ULMN 3 1qgn_c15 CYSTATHIONINE GAMMA-SYNTHASE user 2 3 # 2 H 163 TYR B 110 TYR^? 1000.00 H 236 ASP B 127 ASP^? 1000.00 H 261 LYS B 61 LYS^? 1000.00 coo 20.90 10.83 -36.23 23.51 10.75 -37.23 -6.38 -25.61 -74.23 -7.82 -25.83 -76.58 coo 17.57 3.99 -33.38 19.51 4.24 -34.16 1.44 -22.32 -71.15 1.70 -20.39 -72.00 coo 29.54 2.32 -35.34 26.33 6.41 -36.17 -0.89 -24.47 -83.43 -3.57 -28.69 -81.00 1qgn_c15 source 1qgn CYSTATHIONINE GAMMA-SYNTHASE : 2 hits 1qgn_c15 naa= 3 ULMN 3 1qgx_c02 3',5'-ADENOSINE BISPHOSPHATASE user 1 3 # 1 A 49 ASP A 4 ASP^? 1000.00 A 147 THR A 89 THR^? 1000.00 A 294 ASP A 19 ASP~? 1000.00 coo 1.13 15.67 -24.51 2.35 14.34 -25.71 19.46 -21.33 -18.77 18.88 -20.63 -16.86 coo 6.09 11.55 -27.32 4.75 13.20 -27.33 16.50 -26.80 -17.44 16.12 -28.90 -17.35 coo 14.48 16.57 -21.30 13.03 16.83 -22.81 29.74 -27.57 -15.65 30.35 -27.04 -13.70 ULMN 3 1qgx_c02 3',5'-ADENOSINE BISPHOSPHATASE user 2 3 # 2 A 49 ASP A 19 ASP~? 1000.00 A 147 THR A 17 THR.? 1000.00 A 294 ASP A 4 ASP^? 1000.00 coo 1.13 15.67 -24.51 2.35 14.34 -25.71 29.74 -27.57 -15.65 30.35 -27.04 -13.70 coo 6.09 11.55 -27.32 4.75 13.20 -27.33 30.54 -20.11 -17.59 31.12 -18.60 -16.20 coo 14.48 16.57 -21.30 13.03 16.83 -22.81 19.46 -21.33 -18.77 18.88 -20.63 -16.86 ULMN 3 1qgx_c02 3',5'-ADENOSINE BISPHOSPHATASE user 3 3 # 3 A 49 ASP B 4 ASP^? 1000.00 A 147 THR B 89 THR^? 1000.00 A 294 ASP B 19 ASP^? 1000.00 coo 1.13 15.67 -24.51 2.35 14.34 -25.71 8.72 -27.52 -90.78 8.40 -26.67 -92.69 coo 6.09 11.55 -27.32 4.75 13.20 -27.33 14.94 -27.68 -92.11 16.94 -28.40 -92.22 coo 14.48 16.57 -21.30 13.03 16.83 -22.81 8.97 -39.53 -93.90 8.21 -39.80 -95.86 ULMN 3 1qgx_c02 3',5'-ADENOSINE BISPHOSPHATASE user 4 3 # 4 A 49 ASP B 19 ASP^? 1000.00 A 147 THR B 17 THR^? 1000.00 A 294 ASP B 4 ASP^? 1000.00 coo 1.13 15.67 -24.51 2.35 14.34 -25.71 8.97 -39.53 -93.90 8.21 -39.80 -95.86 coo 6.09 11.55 -27.32 4.75 13.20 -27.33 2.13 -36.50 -91.95 0.52 -36.25 -93.35 coo 14.48 16.57 -21.30 13.03 16.83 -22.81 8.72 -27.52 -90.78 8.40 -26.67 -92.69 1qgx_c02 source 1qgx 3',5'-ADENOSINE BISPHOSPHATASE : 4 hits 1qgx_c02 naa= 3 ULMN 3 1qho_c04 ALPHA-AMYLASE user 1 3 # 1 A 228 ASP A 64 ASP^? 1000.00 A 256 GLU A 15 GLU.? 1000.00 A 329 ASP A 13 ASP.? 1000.00 coo 28.46 69.88 26.74 30.40 70.70 26.53 29.43 -11.47 -24.77 28.22 -12.20 -26.29 coo 30.54 71.65 32.58 31.73 72.26 30.92 31.83 -13.52 -21.46 31.81 -11.49 -22.03 coo 37.87 70.12 31.80 36.61 69.74 30.15 35.39 -17.87 -27.45 36.78 -19.31 -28.08 ULMN 3 1qho_c04 ALPHA-AMYLASE user 2 3 # 2 A 228 ASP B 64 ASP^? 1000.00 A 256 GLU B 15 GLU^? 1000.00 A 329 ASP B 13 ASP^? 1000.00 coo 28.46 69.88 26.74 30.40 70.70 26.53 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 coo 30.54 71.65 32.58 31.73 72.26 30.92 -4.24 -34.31 -88.08 -5.97 -33.27 -87.50 coo 37.87 70.12 31.80 36.61 69.74 30.15 -2.24 -39.57 -82.10 -1.69 -41.51 -81.47 1qho_c04 source 1qho ALPHA-AMYLASE : 2 hits 1qho_c04 naa= 3 ULMN 3 1qho_c05 ALPHA-AMYLASE user 1 3 # 1 A 228 ASP A 4 ASP^? 1000.00 A 261 ASP A 13 ASP.? 1000.00 A 329 ASP A 19 ASP~? 1000.00 coo 28.46 69.88 26.74 30.40 70.70 26.53 19.46 -21.33 -18.77 18.88 -20.63 -16.86 coo 34.02 79.89 42.60 34.73 78.01 41.86 35.39 -17.87 -27.45 36.78 -19.31 -28.08 coo 37.87 70.12 31.80 36.61 69.74 30.15 29.74 -27.57 -15.65 30.35 -27.04 -13.70 ULMN 3 1qho_c05 ALPHA-AMYLASE user 2 3 # 2 A 228 ASP A 10 ASP.? 1000.00 A 261 ASP A 18 ASP~? 1000.00 A 329 ASP A 13 ASP.? 1000.00 coo 28.46 69.88 26.74 30.40 70.70 26.53 32.49 -23.60 -36.06 31.26 -25.30 -35.99 coo 34.02 79.89 42.60 34.73 78.01 41.86 26.87 -23.27 -16.72 26.31 -23.96 -18.62 coo 37.87 70.12 31.80 36.61 69.74 30.15 35.39 -17.87 -27.45 36.78 -19.31 -28.08 ULMN 3 1qho_c05 ALPHA-AMYLASE user 3 3 # 3 A 228 ASP A 10 ASP.? 1000.00 A 261 ASP A 19 ASP~? 1000.00 A 329 ASP A 13 ASP.? 1000.00 coo 28.46 69.88 26.74 30.40 70.70 26.53 32.49 -23.60 -36.06 31.26 -25.30 -35.99 coo 34.02 79.89 42.60 34.73 78.01 41.86 29.74 -27.57 -15.65 30.35 -27.04 -13.70 coo 37.87 70.12 31.80 36.61 69.74 30.15 35.39 -17.87 -27.45 36.78 -19.31 -28.08 ULMN 3 1qho_c05 ALPHA-AMYLASE user 4 3 # 4 A 228 ASP A 13 ASP.? 1000.00 A 261 ASP A 4 ASP^? 1000.00 A 329 ASP A 64 ASP^? 1000.00 coo 28.46 69.88 26.74 30.40 70.70 26.53 35.39 -17.87 -27.45 36.78 -19.31 -28.08 coo 34.02 79.89 42.60 34.73 78.01 41.86 19.46 -21.33 -18.77 18.88 -20.63 -16.86 coo 37.87 70.12 31.80 36.61 69.74 30.15 29.43 -11.47 -24.77 28.22 -12.20 -26.29 ULMN 3 1qho_c05 ALPHA-AMYLASE user 5 3 # 5 A 228 ASP A 19 ASP~? 1000.00 A 261 ASP A 64 ASP^? 1000.00 A 329 ASP A 4 ASP^? 1000.00 coo 28.46 69.88 26.74 30.40 70.70 26.53 29.74 -27.57 -15.65 30.35 -27.04 -13.70 coo 34.02 79.89 42.60 34.73 78.01 41.86 29.43 -11.47 -24.77 28.22 -12.20 -26.29 coo 37.87 70.12 31.80 36.61 69.74 30.15 19.46 -21.33 -18.77 18.88 -20.63 -16.86 ULMN 3 1qho_c05 ALPHA-AMYLASE user 6 3 # 6 A 228 ASP A 64 ASP^? 1000.00 A 261 ASP A 19 ASP~? 1000.00 A 329 ASP A 13 ASP.? 1000.00 coo 28.46 69.88 26.74 30.40 70.70 26.53 29.43 -11.47 -24.77 28.22 -12.20 -26.29 coo 34.02 79.89 42.60 34.73 78.01 41.86 29.74 -27.57 -15.65 30.35 -27.04 -13.70 coo 37.87 70.12 31.80 36.61 69.74 30.15 35.39 -17.87 -27.45 36.78 -19.31 -28.08 ULMN 3 1qho_c05 ALPHA-AMYLASE user 7 3 # 7 A 228 ASP A 120 ASP^? 1000.00 A 261 ASP A 4 ASP^? 1000.00 A 329 ASP A 64 ASP^? 1000.00 coo 28.46 69.88 26.74 30.40 70.70 26.53 23.87 -3.65 -16.49 25.85 -2.89 -16.34 coo 34.02 79.89 42.60 34.73 78.01 41.86 19.46 -21.33 -18.77 18.88 -20.63 -16.86 coo 37.87 70.12 31.80 36.61 69.74 30.15 29.43 -11.47 -24.77 28.22 -12.20 -26.29 ULMN 3 1qho_c05 ALPHA-AMYLASE user 8 3 # 8 A 228 ASP A 120 ASP^? 1000.00 A 261 ASP A 18 ASP~? 1000.00 A 329 ASP A 64 ASP^? 1000.00 coo 28.46 69.88 26.74 30.40 70.70 26.53 23.87 -3.65 -16.49 25.85 -2.89 -16.34 coo 34.02 79.89 42.60 34.73 78.01 41.86 26.87 -23.27 -16.72 26.31 -23.96 -18.62 coo 37.87 70.12 31.80 36.61 69.74 30.15 29.43 -11.47 -24.77 28.22 -12.20 -26.29 ULMN 3 1qho_c05 ALPHA-AMYLASE user 9 3 # 9 A 228 ASP B 4 ASP^? 1000.00 A 261 ASP B 13 ASP^? 1000.00 A 329 ASP B 19 ASP^? 1000.00 coo 28.46 69.88 26.74 30.40 70.70 26.53 8.72 -27.52 -90.78 8.40 -26.67 -92.69 coo 34.02 79.89 42.60 34.73 78.01 41.86 -2.24 -39.57 -82.10 -1.69 -41.51 -81.47 coo 37.87 70.12 31.80 36.61 69.74 30.15 8.97 -39.53 -93.90 8.21 -39.80 -95.86 ULMN 3 1qho_c05 ALPHA-AMYLASE user 10 3 # 10 A 228 ASP B 10 ASP^? 1000.00 A 261 ASP B 18 ASP^? 1000.00 A 329 ASP B 13 ASP^? 1000.00 coo 28.46 69.88 26.74 30.40 70.70 26.53 4.17 -39.92 -73.48 6.27 -39.73 -73.56 coo 34.02 79.89 42.60 34.73 78.01 41.86 6.68 -34.89 -92.82 7.57 -34.75 -90.92 coo 37.87 70.12 31.80 36.61 69.74 30.15 -2.24 -39.57 -82.10 -1.69 -41.51 -81.47 ULMN 3 1qho_c05 ALPHA-AMYLASE user 11 3 # 11 A 228 ASP B 10 ASP^? 1000.00 A 261 ASP B 19 ASP^? 1000.00 A 329 ASP B 13 ASP^? 1000.00 coo 28.46 69.88 26.74 30.40 70.70 26.53 4.17 -39.92 -73.48 6.27 -39.73 -73.56 coo 34.02 79.89 42.60 34.73 78.01 41.86 8.97 -39.53 -93.90 8.21 -39.80 -95.86 coo 37.87 70.12 31.80 36.61 69.74 30.15 -2.24 -39.57 -82.10 -1.69 -41.51 -81.47 ULMN 3 1qho_c05 ALPHA-AMYLASE user 12 3 # 12 A 228 ASP B 13 ASP^? 1000.00 A 261 ASP B 4 ASP^? 1000.00 A 329 ASP B 64 ASP^? 1000.00 coo 28.46 69.88 26.74 30.40 70.70 26.53 -2.24 -39.57 -82.10 -1.69 -41.51 -81.47 coo 34.02 79.89 42.60 34.73 78.01 41.86 8.72 -27.52 -90.78 8.40 -26.67 -92.69 coo 37.87 70.12 31.80 36.61 69.74 30.15 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 ULMN 3 1qho_c05 ALPHA-AMYLASE user 13 3 # 13 A 228 ASP B 19 ASP^? 1000.00 A 261 ASP B 64 ASP^? 1000.00 A 329 ASP B 4 ASP^? 1000.00 coo 28.46 69.88 26.74 30.40 70.70 26.53 8.97 -39.53 -93.90 8.21 -39.80 -95.86 coo 34.02 79.89 42.60 34.73 78.01 41.86 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 coo 37.87 70.12 31.80 36.61 69.74 30.15 8.72 -27.52 -90.78 8.40 -26.67 -92.69 ULMN 3 1qho_c05 ALPHA-AMYLASE user 14 3 # 14 A 228 ASP B 64 ASP^? 1000.00 A 261 ASP B 19 ASP^? 1000.00 A 329 ASP B 13 ASP^? 1000.00 coo 28.46 69.88 26.74 30.40 70.70 26.53 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 coo 34.02 79.89 42.60 34.73 78.01 41.86 8.97 -39.53 -93.90 8.21 -39.80 -95.86 coo 37.87 70.12 31.80 36.61 69.74 30.15 -2.24 -39.57 -82.10 -1.69 -41.51 -81.47 ULMN 3 1qho_c05 ALPHA-AMYLASE user 15 3 # 15 A 228 ASP B 120 ASP^? 1000.00 A 261 ASP B 4 ASP^? 1000.00 A 329 ASP B 64 ASP^? 1000.00 coo 28.46 69.88 26.74 30.40 70.70 26.53 -8.78 -22.48 -93.04 -10.45 -23.81 -93.19 coo 34.02 79.89 42.60 34.73 78.01 41.86 8.72 -27.52 -90.78 8.40 -26.67 -92.69 coo 37.87 70.12 31.80 36.61 69.74 30.15 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 ULMN 3 1qho_c05 ALPHA-AMYLASE user 16 3 # 16 A 228 ASP B 120 ASP^? 1000.00 A 261 ASP B 18 ASP^? 1000.00 A 329 ASP B 64 ASP^? 1000.00 coo 28.46 69.88 26.74 30.40 70.70 26.53 -8.78 -22.48 -93.04 -10.45 -23.81 -93.19 coo 34.02 79.89 42.60 34.73 78.01 41.86 6.68 -34.89 -92.82 7.57 -34.75 -90.92 coo 37.87 70.12 31.80 36.61 69.74 30.15 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 1qho_c05 source 1qho ALPHA-AMYLASE : 16 hits 1qho_c05 naa= 3 ULMN 3 1qho_c07 ALPHA-AMYLASE user 1 3 # 1 A 228 ASP A 13 ASP.? 1000.00 A 260 ASP A 18 ASP~? 1000.00 A 329 ASP A 64 ASP^? 1000.00 coo 28.46 69.88 26.74 30.40 70.70 26.53 35.39 -17.87 -27.45 36.78 -19.31 -28.08 coo 30.73 81.29 37.61 31.23 82.07 35.69 26.87 -23.27 -16.72 26.31 -23.96 -18.62 coo 37.87 70.12 31.80 36.61 69.74 30.15 29.43 -11.47 -24.77 28.22 -12.20 -26.29 ULMN 3 1qho_c07 ALPHA-AMYLASE user 2 3 # 2 A 228 ASP A 64 ASP^? 1000.00 A 260 ASP A 18 ASP~? 1000.00 A 329 ASP A 13 ASP.? 1000.00 coo 28.46 69.88 26.74 30.40 70.70 26.53 29.43 -11.47 -24.77 28.22 -12.20 -26.29 coo 30.73 81.29 37.61 31.23 82.07 35.69 26.87 -23.27 -16.72 26.31 -23.96 -18.62 coo 37.87 70.12 31.80 36.61 69.74 30.15 35.39 -17.87 -27.45 36.78 -19.31 -28.08 ULMN 3 1qho_c07 ALPHA-AMYLASE user 3 3 # 3 A 228 ASP B 13 ASP^? 1000.00 A 260 ASP B 18 ASP^? 1000.00 A 329 ASP B 64 ASP^? 1000.00 coo 28.46 69.88 26.74 30.40 70.70 26.53 -2.24 -39.57 -82.10 -1.69 -41.51 -81.47 coo 30.73 81.29 37.61 31.23 82.07 35.69 6.68 -34.89 -92.82 7.57 -34.75 -90.92 coo 37.87 70.12 31.80 36.61 69.74 30.15 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 ULMN 3 1qho_c07 ALPHA-AMYLASE user 4 3 # 4 A 228 ASP B 64 ASP^? 1000.00 A 260 ASP B 18 ASP^? 1000.00 A 329 ASP B 13 ASP^? 1000.00 coo 28.46 69.88 26.74 30.40 70.70 26.53 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 coo 30.73 81.29 37.61 31.23 82.07 35.69 6.68 -34.89 -92.82 7.57 -34.75 -90.92 coo 37.87 70.12 31.80 36.61 69.74 30.15 -2.24 -39.57 -82.10 -1.69 -41.51 -81.47 1qho_c07 source 1qho ALPHA-AMYLASE : 4 hits 1qho_c07 naa= 3 ULMN 3 1qrr_c01 SULFOLIPID BIOSYNTHESIS (SQD1) PROTEuser 1 3 # 1 A 145 THR A 17 THR.? 1000.00 A 182 TYR A 6 TYR^? 1000.00 A 186 LYS A 22 LYS~? 1000.00 coo 69.38 87.38 24.64 71.11 88.47 25.40 30.54 -20.11 -17.59 31.12 -18.60 -16.20 coo 73.61 90.42 31.12 71.36 89.66 29.64 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo 73.54 84.00 28.64 69.01 86.68 29.71 31.99 -23.27 -21.33 35.03 -27.43 -17.58 ULMN 3 1qrr_c01 SULFOLIPID BIOSYNTHESIS (SQD1) PROTEuser 2 3 # 2 A 145 THR A 82 THR^? 1000.00 A 182 TYR A 130 TYR^? 1000.00 A 186 LYS A 101 LYS^? 1000.00 coo 69.38 87.38 24.64 71.11 88.47 25.40 27.39 -25.46 -37.55 27.64 -27.45 -36.79 coo 73.61 90.42 31.12 71.36 89.66 29.64 19.24 -22.19 -40.85 16.56 -22.21 -40.14 coo 73.54 84.00 28.64 69.01 86.68 29.71 21.27 -27.97 -34.76 23.33 -33.29 -31.87 ULMN 3 1qrr_c01 SULFOLIPID BIOSYNTHESIS (SQD1) PROTEuser 3 3 # 3 A 145 THR A 103 THR^? 1000.00 A 182 TYR A 130 TYR^? 1000.00 A 186 LYS A 101 LYS^? 1000.00 coo 69.38 87.38 24.64 71.11 88.47 25.40 24.28 -26.60 -40.66 24.51 -28.76 -40.89 coo 73.61 90.42 31.12 71.36 89.66 29.64 19.24 -22.19 -40.85 16.56 -22.21 -40.14 coo 73.54 84.00 28.64 69.01 86.68 29.71 21.27 -27.97 -34.76 23.33 -33.29 -31.87 ULMN 3 1qrr_c01 SULFOLIPID BIOSYNTHESIS (SQD1) PROTEuser 4 3 # 4 A 145 THR A 134 THR^? 1000.00 A 182 TYR A 130 TYR^? 1000.00 A 186 LYS A 101 LYS^? 1000.00 coo 69.38 87.38 24.64 71.11 88.47 25.40 17.32 -30.60 -36.41 18.42 -32.44 -36.43 coo 73.61 90.42 31.12 71.36 89.66 29.64 19.24 -22.19 -40.85 16.56 -22.21 -40.14 coo 73.54 84.00 28.64 69.01 86.68 29.71 21.27 -27.97 -34.76 23.33 -33.29 -31.87 ULMN 3 1qrr_c01 SULFOLIPID BIOSYNTHESIS (SQD1) PROTEuser 5 3 # 5 A 145 THR B 17 THR^? 1000.00 A 182 TYR B 6 TYR^? 1000.00 A 186 LYS B 22 LYS^? 1000.00 coo 69.38 87.38 24.64 71.11 88.47 25.40 2.13 -36.50 -91.95 0.52 -36.25 -93.35 coo 73.61 90.42 31.12 71.36 89.66 29.64 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo 73.54 84.00 28.64 69.01 86.68 29.71 4.13 -39.33 -88.23 6.19 -44.05 -91.97 ULMN 3 1qrr_c01 SULFOLIPID BIOSYNTHESIS (SQD1) PROTEuser 6 3 # 6 A 145 THR B 82 THR^? 1000.00 A 182 TYR B 130 TYR^? 1000.00 A 186 LYS B 101 LYS^? 1000.00 coo 69.38 87.38 24.64 71.11 88.47 25.40 8.34 -36.44 -72.00 9.94 -37.66 -72.77 coo 73.61 90.42 31.12 71.36 89.66 29.64 9.59 -27.76 -68.70 10.95 -25.45 -69.40 coo 73.54 84.00 28.64 69.01 86.68 29.71 13.59 -32.41 -74.79 17.17 -36.84 -77.71 ULMN 3 1qrr_c01 SULFOLIPID BIOSYNTHESIS (SQD1) PROTEuser 7 3 # 7 A 145 THR B 103 THR^? 1000.00 A 182 TYR B 130 TYR^? 1000.00 A 186 LYS B 101 LYS^? 1000.00 coo 69.38 87.38 24.64 71.11 88.47 25.40 10.89 -34.34 -68.89 12.65 -35.61 -68.66 coo 73.61 90.42 31.12 71.36 89.66 29.64 9.59 -27.76 -68.70 10.95 -25.45 -69.40 coo 73.54 84.00 28.64 69.01 86.68 29.71 13.59 -32.41 -74.79 17.17 -36.84 -77.71 ULMN 3 1qrr_c01 SULFOLIPID BIOSYNTHESIS (SQD1) PROTEuser 8 3 # 8 A 145 THR B 134 THR^? 1000.00 A 182 TYR B 130 TYR^? 1000.00 A 186 LYS B 101 LYS^? 1000.00 coo 69.38 87.38 24.64 71.11 88.47 25.40 17.83 -30.32 -73.14 18.88 -32.19 -73.12 coo 73.61 90.42 31.12 71.36 89.66 29.64 9.59 -27.76 -68.70 10.95 -25.45 -69.40 coo 73.54 84.00 28.64 69.01 86.68 29.71 13.59 -32.41 -74.79 17.17 -36.84 -77.71 1qrr_c01 source 1qrr SULFOLIPID BIOSYNTHESIS (SQD1) PROTEIN : 8 hits 1qrr_c01 naa= 3 ULMN 3 1qrz_c12 PLASMINOGEN user 1 3 # 1 A 603 HIS A 21 HIS~? 1000.00 A 646 ASP A 4 ASP^? 1000.00 A 741 SER A 16 SER.? 1000.00 coo -20.72 2.99 34.37 -21.94 1.82 35.61 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo -18.83 7.68 26.86 -20.89 7.78 26.56 19.46 -21.33 -18.77 18.88 -20.63 -16.86 coo -16.10 -1.48 32.49 -17.38 0.37 33.40 29.28 -18.48 -20.76 27.76 -20.30 -20.33 ULMN 3 1qrz_c12 PLASMINOGEN user 2 3 # 2 A 603 HIS A 21 HIS~? 1000.00 A 646 ASP A 19 ASP~? 1000.00 A 741 SER A 16 SER.? 1000.00 coo -20.72 2.99 34.37 -21.94 1.82 35.61 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo -18.83 7.68 26.86 -20.89 7.78 26.56 29.74 -27.57 -15.65 30.35 -27.04 -13.70 coo -16.10 -1.48 32.49 -17.38 0.37 33.40 29.28 -18.48 -20.76 27.76 -20.30 -20.33 ULMN 3 1qrz_c12 PLASMINOGEN user 3 3 # 3 A 603 HIS B 21 HIS^? 1000.00 A 646 ASP B 4 ASP^? 1000.00 A 741 SER B 16 SER^? 1000.00 coo -20.72 2.99 34.37 -21.94 1.82 35.61 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo -18.83 7.68 26.86 -20.89 7.78 26.56 8.72 -27.52 -90.78 8.40 -26.67 -92.69 coo -16.10 -1.48 32.49 -17.38 0.37 33.40 1.34 -34.60 -88.79 3.68 -34.16 -89.21 ULMN 3 1qrz_c12 PLASMINOGEN user 4 3 # 4 A 603 HIS B 21 HIS^? 1000.00 A 646 ASP B 19 ASP^? 1000.00 A 741 SER B 16 SER^? 1000.00 coo -20.72 2.99 34.37 -21.94 1.82 35.61 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo -18.83 7.68 26.86 -20.89 7.78 26.56 8.97 -39.53 -93.90 8.21 -39.80 -95.86 coo -16.10 -1.48 32.49 -17.38 0.37 33.40 1.34 -34.60 -88.79 3.68 -34.16 -89.21 1qrz_c12 source 1qrz PLASMINOGEN : 4 hits 1qrz_c12 naa= 3 ULMN 3 1qrz_c13 PLASMINOGEN user 1 3 # 1 B 603 HIS A 21 HIS~? 1000.00 B 646 ASP A 4 ASP^? 1000.00 B 741 SER A 16 SER.? 1000.00 coo -48.36 3.10 -3.91 -49.78 2.04 -2.80 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo -46.10 7.71 -10.96 -48.16 8.01 -11.35 19.46 -21.33 -18.77 18.88 -20.63 -16.86 coo -43.75 -1.60 -6.12 -44.85 0.33 -5.15 29.28 -18.48 -20.76 27.76 -20.30 -20.33 ULMN 3 1qrz_c13 PLASMINOGEN user 2 3 # 2 B 603 HIS A 21 HIS~? 1000.00 B 646 ASP A 19 ASP~? 1000.00 B 741 SER A 16 SER.? 1000.00 coo -48.36 3.10 -3.91 -49.78 2.04 -2.80 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo -46.10 7.71 -10.96 -48.16 8.01 -11.35 29.74 -27.57 -15.65 30.35 -27.04 -13.70 coo -43.75 -1.60 -6.12 -44.85 0.33 -5.15 29.28 -18.48 -20.76 27.76 -20.30 -20.33 ULMN 3 1qrz_c13 PLASMINOGEN user 3 3 # 3 B 603 HIS B 21 HIS^? 1000.00 B 646 ASP B 4 ASP^? 1000.00 B 741 SER B 16 SER^? 1000.00 coo -48.36 3.10 -3.91 -49.78 2.04 -2.80 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo -46.10 7.71 -10.96 -48.16 8.01 -11.35 8.72 -27.52 -90.78 8.40 -26.67 -92.69 coo -43.75 -1.60 -6.12 -44.85 0.33 -5.15 1.34 -34.60 -88.79 3.68 -34.16 -89.21 ULMN 3 1qrz_c13 PLASMINOGEN user 4 3 # 4 B 603 HIS B 21 HIS^? 1000.00 B 646 ASP B 19 ASP^? 1000.00 B 741 SER B 16 SER^? 1000.00 coo -48.36 3.10 -3.91 -49.78 2.04 -2.80 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo -46.10 7.71 -10.96 -48.16 8.01 -11.35 8.97 -39.53 -93.90 8.21 -39.80 -95.86 coo -43.75 -1.60 -6.12 -44.85 0.33 -5.15 1.34 -34.60 -88.79 3.68 -34.16 -89.21 1qrz_c13 source 1qrz PLASMINOGEN : 4 hits 1qrz_c13 naa= 3 ULMN 3 1qrz_c14 PLASMINOGEN user 1 3 # 1 C 603 HIS A 21 HIS~? 1000.00 C 646 ASP A 4 ASP^? 1000.00 C 741 SER A 16 SER.? 1000.00 coo 1.49 -9.23 8.48 -0.19 -8.40 9.43 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo 9.05 -13.82 8.74 8.78 -14.02 10.85 19.46 -21.33 -18.77 18.88 -20.63 -16.86 coo 4.71 -4.57 4.71 3.58 -6.49 5.69 29.28 -18.48 -20.76 27.76 -20.30 -20.33 ULMN 3 1qrz_c14 PLASMINOGEN user 2 3 # 2 C 603 HIS A 21 HIS~? 1000.00 C 646 ASP A 19 ASP~? 1000.00 C 741 SER A 16 SER.? 1000.00 coo 1.49 -9.23 8.48 -0.19 -8.40 9.43 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo 9.05 -13.82 8.74 8.78 -14.02 10.85 29.74 -27.57 -15.65 30.35 -27.04 -13.70 coo 4.71 -4.57 4.71 3.58 -6.49 5.69 29.28 -18.48 -20.76 27.76 -20.30 -20.33 ULMN 3 1qrz_c14 PLASMINOGEN user 3 3 # 3 C 603 HIS B 21 HIS^? 1000.00 C 646 ASP B 4 ASP^? 1000.00 C 741 SER B 16 SER^? 1000.00 coo 1.49 -9.23 8.48 -0.19 -8.40 9.43 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo 9.05 -13.82 8.74 8.78 -14.02 10.85 8.72 -27.52 -90.78 8.40 -26.67 -92.69 coo 4.71 -4.57 4.71 3.58 -6.49 5.69 1.34 -34.60 -88.79 3.68 -34.16 -89.21 ULMN 3 1qrz_c14 PLASMINOGEN user 4 3 # 4 C 603 HIS B 21 HIS^? 1000.00 C 646 ASP B 19 ASP^? 1000.00 C 741 SER B 16 SER^? 1000.00 coo 1.49 -9.23 8.48 -0.19 -8.40 9.43 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo 9.05 -13.82 8.74 8.78 -14.02 10.85 8.97 -39.53 -93.90 8.21 -39.80 -95.86 coo 4.71 -4.57 4.71 3.58 -6.49 5.69 1.34 -34.60 -88.79 3.68 -34.16 -89.21 1qrz_c14 source 1qrz PLASMINOGEN : 4 hits 1qrz_c14 naa= 3 ULMN 3 1qrz_c15 PLASMINOGEN user 1 3 # 1 D 603 HIS A 21 HIS~? 1000.00 D 646 ASP A 4 ASP^? 1000.00 D 741 SER A 16 SER.? 1000.00 coo -52.57 -8.94 46.70 -54.06 -7.64 47.39 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo -45.30 -14.04 46.94 -45.65 -14.15 49.00 19.46 -21.33 -18.77 18.88 -20.63 -16.86 coo -49.16 -4.56 43.16 -50.44 -6.45 43.96 29.28 -18.48 -20.76 27.76 -20.30 -20.33 ULMN 3 1qrz_c15 PLASMINOGEN user 2 3 # 2 D 603 HIS A 21 HIS~? 1000.00 D 646 ASP A 19 ASP~? 1000.00 D 741 SER A 16 SER.? 1000.00 coo -52.57 -8.94 46.70 -54.06 -7.64 47.39 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo -45.30 -14.04 46.94 -45.65 -14.15 49.00 29.74 -27.57 -15.65 30.35 -27.04 -13.70 coo -49.16 -4.56 43.16 -50.44 -6.45 43.96 29.28 -18.48 -20.76 27.76 -20.30 -20.33 ULMN 3 1qrz_c15 PLASMINOGEN user 3 3 # 3 D 603 HIS B 21 HIS^? 1000.00 D 646 ASP B 4 ASP^? 1000.00 D 741 SER B 16 SER^? 1000.00 coo -52.57 -8.94 46.70 -54.06 -7.64 47.39 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo -45.30 -14.04 46.94 -45.65 -14.15 49.00 8.72 -27.52 -90.78 8.40 -26.67 -92.69 coo -49.16 -4.56 43.16 -50.44 -6.45 43.96 1.34 -34.60 -88.79 3.68 -34.16 -89.21 ULMN 3 1qrz_c15 PLASMINOGEN user 4 3 # 4 D 603 HIS B 21 HIS^? 1000.00 D 646 ASP B 19 ASP^? 1000.00 D 741 SER B 16 SER^? 1000.00 coo -52.57 -8.94 46.70 -54.06 -7.64 47.39 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo -45.30 -14.04 46.94 -45.65 -14.15 49.00 8.97 -39.53 -93.90 8.21 -39.80 -95.86 coo -49.16 -4.56 43.16 -50.44 -6.45 43.96 1.34 -34.60 -88.79 3.68 -34.16 -89.21 1qrz_c15 source 1qrz PLASMINOGEN : 4 hits 1qrz_c15 naa= 3 ULMN 3 1qrz_c21 PLASMINOGEN user 1 3 # 1 B 603 HIS A 21 HIS~? 1000.00 B 646 ASP A 19 ASP~? 1000.00 B 739 GLY A 92 GLY^? 1000.00 coo -48.36 3.10 -3.91 -49.78 2.04 -2.80 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo -46.10 7.71 -10.96 -48.16 8.01 -11.35 29.74 -27.57 -15.65 30.35 -27.04 -13.70 coo -41.48 -7.57 -8.71 -42.26 -7.67 -8.41 16.47 -31.18 -12.42 17.07 -30.66 -12.24 ULMN 3 1qrz_c21 PLASMINOGEN user 2 3 # 2 B 603 HIS B 21 HIS^? 1000.00 B 646 ASP B 19 ASP^? 1000.00 B 739 GLY B 92 GLY^? 1000.00 coo -48.36 3.10 -3.91 -49.78 2.04 -2.80 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo -46.10 7.71 -10.96 -48.16 8.01 -11.35 8.97 -39.53 -93.90 8.21 -39.80 -95.86 coo -41.48 -7.57 -8.71 -42.26 -7.67 -8.41 18.75 -29.85 -97.13 18.00 -30.11 -97.32 1qrz_c21 source 1qrz PLASMINOGEN : 2 hits 1qrz_c21 naa= 3 ULMN 3 1qz9_c02 KYNURENINASE user 1 3 # 1 A 129 PHE A 128 PHE^? 1000.00 A 201 ASP A 127 ASP^? 1000.00 A 227 LYS A 61 LYS^? 1000.00 coo 23.39 49.81 32.16 21.33 51.68 32.26 22.32 -16.99 -36.28 24.17 -16.12 -34.42 coo 25.52 45.12 37.98 23.98 46.65 37.85 18.62 -12.41 -38.39 16.82 -11.65 -37.54 coo 12.68 46.83 36.69 18.26 48.67 34.51 21.64 -11.48 -26.11 26.63 -11.26 -28.52 ULMN 3 1qz9_c02 KYNURENINASE user 2 3 # 2 A 129 PHE A 128 PHE^? 1000.00 A 201 ASP A 127 ASP^? 1000.00 A 227 LYS A 69 LYS^? 1000.00 coo 23.39 49.81 32.16 21.33 51.68 32.26 22.32 -16.99 -36.28 24.17 -16.12 -34.42 coo 25.52 45.12 37.98 23.98 46.65 37.85 18.62 -12.41 -38.39 16.82 -11.65 -37.54 coo 12.68 46.83 36.69 18.26 48.67 34.51 32.90 -11.51 -34.53 36.58 -11.70 -35.14 ULMN 3 1qz9_c02 KYNURENINASE user 3 3 # 3 A 129 PHE A 128 PHE^? 1000.00 A 201 ASP A 127 ASP^? 1000.00 A 227 LYS A 131 LYS^? 1000.00 coo 23.39 49.81 32.16 21.33 51.68 32.26 22.32 -16.99 -36.28 24.17 -16.12 -34.42 coo 25.52 45.12 37.98 23.98 46.65 37.85 18.62 -12.41 -38.39 16.82 -11.65 -37.54 coo 12.68 46.83 36.69 18.26 48.67 34.51 20.68 -24.51 -44.83 21.09 -22.52 -49.85 ULMN 3 1qz9_c02 KYNURENINASE user 4 3 # 4 A 129 PHE B 128 PHE^? 1000.00 A 201 ASP B 127 ASP^? 1000.00 A 227 LYS B 61 LYS^? 1000.00 coo 23.39 49.81 32.16 21.33 51.68 32.26 3.54 -27.82 -73.26 1.86 -28.99 -75.12 coo 25.52 45.12 37.98 23.98 46.65 37.85 1.44 -22.32 -71.15 1.70 -20.39 -72.00 coo 12.68 46.83 36.69 18.26 48.67 34.51 -0.89 -24.47 -83.43 -3.57 -28.69 -81.00 ULMN 3 1qz9_c02 KYNURENINASE user 5 3 # 5 A 129 PHE B 128 PHE^? 1000.00 A 201 ASP B 127 ASP^? 1000.00 A 227 LYS B 69 LYS^? 1000.00 coo 23.39 49.81 32.16 21.33 51.68 32.26 3.54 -27.82 -73.26 1.86 -28.99 -75.12 coo 25.52 45.12 37.98 23.98 46.65 37.85 1.44 -22.32 -71.15 1.70 -20.39 -72.00 coo 12.68 46.83 36.69 18.26 48.67 34.51 -6.51 -34.23 -75.02 -8.20 -37.51 -74.40 ULMN 3 1qz9_c02 KYNURENINASE user 6 3 # 6 A 129 PHE B 128 PHE^? 1000.00 A 201 ASP B 127 ASP^? 1000.00 A 227 LYS B 131 LYS^? 1000.00 coo 23.39 49.81 32.16 21.33 51.68 32.26 3.54 -27.82 -73.26 1.86 -28.99 -75.12 coo 25.52 45.12 37.98 23.98 46.65 37.85 1.44 -22.32 -71.15 1.70 -20.39 -72.00 coo 12.68 46.83 36.69 18.26 48.67 34.51 10.88 -30.17 -64.72 8.95 -29.51 -59.71 1qz9_c02 source 1qz9 KYNURENINASE : 6 hits 1qz9_c02 naa= 3 ULMN 3 1r4f_c00 IAG-NUCLEOSIDE HYDROLASE user 1 3 # 1 A 10 ASP A 10 ASP.? 1000.00 A 186 ASN A 79 ASN^? 1000.00 A 260 ALA A 73 ALA^? 1000.00 coo 11.81 33.10 11.71 13.07 31.45 11.40 32.49 -23.60 -36.06 31.26 -25.30 -35.99 coo 11.43 26.53 7.41 13.01 27.56 8.43 30.27 -19.86 -44.79 29.14 -19.17 -46.44 coo 21.53 26.33 6.96 20.26 25.69 7.52 30.28 -11.98 -39.72 29.66 -13.00 -38.79 ULMN 3 1r4f_c00 IAG-NUCLEOSIDE HYDROLASE user 2 3 # 2 A 10 ASP A 10 ASP.? 1000.00 A 186 ASN A 79 ASN^? 1000.00 A 260 ALA A 129 ALA^? 1000.00 coo 11.81 33.10 11.71 13.07 31.45 11.40 32.49 -23.60 -36.06 31.26 -25.30 -35.99 coo 11.43 26.53 7.41 13.01 27.56 8.43 30.27 -19.86 -44.79 29.14 -19.17 -46.44 coo 21.53 26.33 6.96 20.26 25.69 7.52 20.37 -17.76 -41.89 20.56 -16.96 -43.16 ULMN 3 1r4f_c00 IAG-NUCLEOSIDE HYDROLASE user 3 3 # 3 A 10 ASP B 10 ASP^? 1000.00 A 186 ASN B 79 ASN^? 1000.00 A 260 ALA B 73 ALA^? 1000.00 coo 11.81 33.10 11.71 13.07 31.45 11.40 4.17 -39.92 -73.48 6.27 -39.73 -73.56 coo 11.43 26.53 7.41 13.01 27.56 8.43 2.06 -36.15 -64.76 2.02 -34.83 -63.11 coo 21.53 26.33 6.96 20.26 25.69 7.52 -4.78 -32.21 -69.82 -3.58 -32.19 -70.74 ULMN 3 1r4f_c00 IAG-NUCLEOSIDE HYDROLASE user 4 3 # 4 A 10 ASP B 10 ASP^? 1000.00 A 186 ASN B 79 ASN^? 1000.00 A 260 ALA B 129 ALA^? 1000.00 coo 11.81 33.10 11.71 13.07 31.45 11.40 4.17 -39.92 -73.48 6.27 -39.73 -73.56 coo 11.43 26.53 7.41 13.01 27.56 8.43 2.06 -36.15 -64.76 2.02 -34.83 -63.11 coo 21.53 26.33 6.96 20.26 25.69 7.52 5.20 -26.52 -67.65 4.41 -26.26 -66.40 1r4f_c00 source 1r4f IAG-NUCLEOSIDE HYDROLASE : 4 hits 1r4f_c00 naa= 3 ULMN 3 1rgq_c01 NS4A PEPTIDE user 1 3 # 1 B 60 HIS A 21 HIS~? 1000.00 B 84 ASP A 19 ASP~? 1000.00 B 140 GLY A 14 GLY.? 1000.00 coo 20.71 17.85 -18.47 19.91 19.62 -17.68 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo 23.40 21.01 -22.79 22.72 19.65 -21.32 29.74 -27.57 -15.65 30.35 -27.04 -13.70 coo 11.52 20.17 -13.15 11.93 20.87 -13.16 31.16 -16.49 -26.28 31.87 -16.86 -25.96 ULMN 3 1rgq_c01 NS4A PEPTIDE user 2 3 # 2 B 60 HIS B 21 HIS^? 1000.00 B 84 ASP B 19 ASP^? 1000.00 B 140 GLY B 14 GLY^? 1000.00 coo 20.71 17.85 -18.47 19.91 19.62 -17.68 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo 23.40 21.01 -22.79 22.72 19.65 -21.32 8.97 -39.53 -93.90 8.21 -39.80 -95.86 coo 11.52 20.17 -13.15 11.93 20.87 -13.16 -1.32 -35.21 -83.27 -1.35 -36.02 -83.59 1rgq_c01 source 1rgq NS4A PEPTIDE : 2 hits 1rgq_c01 naa= 3 ULMN 3 1roz_c00 DEOXYHYPUSINE SYNTHASE user 1 3 # 1 A 137 GLU A 153 GLU^? 1000.00 A 288 HIS A 21 HIS~? 1000.00 A 329 LYS A 23 LYS.? 1000.00 coo 29.27 18.78 14.99 27.16 18.62 14.76 12.49 -36.75 -36.83 10.58 -37.13 -36.03 coo 49.52 10.06 10.36 50.99 9.65 8.92 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo 57.80 12.92 13.83 53.77 8.42 12.15 32.67 -20.15 -23.43 38.88 -20.02 -24.22 ULMN 3 1roz_c00 DEOXYHYPUSINE SYNTHASE user 2 3 # 2 A 137 GLU B 153 GLU^? 1000.00 A 288 HIS B 21 HIS^? 1000.00 A 329 LYS B 23 LYS^? 1000.00 coo 29.27 18.78 14.99 27.16 18.62 14.76 25.57 -29.21 -72.73 26.88 -27.75 -73.52 coo 49.52 10.06 10.36 50.99 9.65 8.92 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo 57.80 12.92 13.83 53.77 8.42 12.15 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 1roz_c00 source 1roz DEOXYHYPUSINE SYNTHASE : 2 hits 1roz_c00 naa= 3 ULMN 3 1roz_c01 DEOXYHYPUSINE SYNTHASE user 1 3 # 1 B 137 GLU A 153 GLU^? 1000.00 B 288 HIS A 21 HIS~? 1000.00 B 329 LYS A 23 LYS.? 1000.00 coo 51.99 -1.20 48.77 51.89 -0.93 46.67 12.49 -36.75 -36.83 10.58 -37.13 -36.03 coo 31.44 -9.36 43.35 29.98 -10.83 43.65 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo 23.19 -4.89 44.25 27.28 -8.41 40.97 32.67 -20.15 -23.43 38.88 -20.02 -24.22 ULMN 3 1roz_c01 DEOXYHYPUSINE SYNTHASE user 2 3 # 2 B 137 GLU B 153 GLU^? 1000.00 B 288 HIS B 21 HIS^? 1000.00 B 329 LYS B 23 LYS^? 1000.00 coo 51.99 -1.20 48.77 51.89 -0.93 46.67 25.57 -29.21 -72.73 26.88 -27.75 -73.52 coo 31.44 -9.36 43.35 29.98 -10.83 43.65 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo 23.19 -4.89 44.25 27.28 -8.41 40.97 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 1roz_c01 source 1roz DEOXYHYPUSINE SYNTHASE : 2 hits 1roz_c01 naa= 3 ULMN 3 1rtf_c06 TWO CHAIN TISSUE PLASMINOGEN ACTIVATuser 1 3 # 1 B 57 HIS A 21 HIS~? 1000.00 B 102 ASP A 18 ASP~? 1000.00 B 193 GLY A 14 GLY.? 1000.00 coo -4.60 27.52 42.88 -4.63 27.41 40.76 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo -0.27 31.24 43.51 -1.49 29.62 42.98 26.87 -23.27 -16.72 26.31 -23.96 -18.62 coo -6.81 22.81 34.74 -6.42 23.54 34.62 31.16 -16.49 -26.28 31.87 -16.86 -25.96 ULMN 3 1rtf_c06 TWO CHAIN TISSUE PLASMINOGEN ACTIVATuser 2 3 # 2 B 57 HIS B 21 HIS^? 1000.00 B 102 ASP B 18 ASP^? 1000.00 B 193 GLY B 14 GLY^? 1000.00 coo -4.60 27.52 42.88 -4.63 27.41 40.76 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo -0.27 31.24 43.51 -1.49 29.62 42.98 6.68 -34.89 -92.82 7.57 -34.75 -90.92 coo -6.81 22.81 34.74 -6.42 23.54 34.62 -1.32 -35.21 -83.27 -1.35 -36.02 -83.59 1rtf_c06 source 1rtf TWO CHAIN TISSUE PLASMINOGEN ACTIVATOR : 2 hits 1rtf_c06 naa= 3 ULMN 3 1sca_c00 SUBTILISIN CARLSBERG (E.C.3.4.21.62)user 1 3 # 1 32 ASP A 19 ASP~? 1000.00 64 HIS A 21 HIS~? 1000.00 221 SER A 16 SER.? 1000.00 coo 80.16 73.25 62.48 80.01 71.25 61.82 29.74 -27.57 -15.65 30.35 -27.04 -13.70 coo 78.27 67.69 61.83 79.58 67.76 60.19 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo 83.63 66.07 58.16 81.31 66.75 57.98 29.28 -18.48 -20.76 27.76 -20.30 -20.33 ULMN 3 1sca_c00 SUBTILISIN CARLSBERG (E.C.3.4.21.62)user 2 3 # 2 32 ASP B 19 ASP^? 1000.00 64 HIS B 21 HIS^? 1000.00 221 SER B 16 SER^? 1000.00 coo 80.16 73.25 62.48 80.01 71.25 61.82 8.97 -39.53 -93.90 8.21 -39.80 -95.86 coo 78.27 67.69 61.83 79.58 67.76 60.19 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo 83.63 66.07 58.16 81.31 66.75 57.98 1.34 -34.60 -88.79 3.68 -34.16 -89.21 1sca_c00 source 1sca SUBTILISIN CARLSBERG (E.C.3.4.21.62) (AQUEOUS : 2 hits 1sca_c00 naa= 3 ULMN 3 1sll_c00 SIALIDASE L user 1 3 # 1 318 ASP A 19 ASP~? 1000.00 595 GLU A 26 GLU^? 1000.00 713 TYR A 6 TYR^? 1000.00 coo 5.64 2.82 38.49 4.59 4.19 37.25 29.74 -27.57 -15.65 30.35 -27.04 -13.70 coo 4.35 13.73 37.63 3.39 12.18 36.55 25.58 -17.25 -21.04 25.74 -16.50 -19.06 coo 3.76 10.25 31.38 3.16 9.87 34.10 23.82 -22.13 -22.62 23.54 -22.15 -19.84 ULMN 3 1sll_c00 SIALIDASE L user 2 3 # 2 318 ASP A 19 ASP~? 1000.00 595 GLU A 86 GLU^? 1000.00 713 TYR A 6 TYR^? 1000.00 coo 5.64 2.82 38.49 4.59 4.19 37.25 29.74 -27.57 -15.65 30.35 -27.04 -13.70 coo 4.35 13.73 37.63 3.39 12.18 36.55 21.78 -27.43 -25.47 23.65 -28.43 -25.48 coo 3.76 10.25 31.38 3.16 9.87 34.10 23.82 -22.13 -22.62 23.54 -22.15 -19.84 ULMN 3 1sll_c00 SIALIDASE L user 3 3 # 3 318 ASP A 127 ASP^? 1000.00 595 GLU A 124 GLU^? 1000.00 713 TYR A 110 TYR^? 1000.00 coo 5.64 2.82 38.49 4.59 4.19 37.25 18.62 -12.41 -38.39 16.82 -11.65 -37.54 coo 4.35 13.73 37.63 3.39 12.18 36.55 24.17 -8.38 -29.24 26.07 -8.88 -30.07 coo 3.76 10.25 31.38 3.16 9.87 34.10 25.37 -7.28 -35.31 26.28 -6.16 -32.97 ULMN 3 1sll_c00 SIALIDASE L user 4 3 # 4 318 ASP B 19 ASP^? 1000.00 595 GLU B 26 GLU^? 1000.00 713 TYR B 6 TYR^? 1000.00 coo 5.64 2.82 38.49 4.59 4.19 37.25 8.97 -39.53 -93.90 8.21 -39.80 -95.86 coo 4.35 13.73 37.63 3.39 12.18 36.55 2.14 -30.76 -88.51 1.40 -30.52 -90.48 coo 3.76 10.25 31.38 3.16 9.87 34.10 7.23 -31.69 -86.93 7.39 -31.46 -89.70 ULMN 3 1sll_c00 SIALIDASE L user 5 3 # 5 318 ASP B 19 ASP^? 1000.00 595 GLU B 86 GLU^? 1000.00 713 TYR B 6 TYR^? 1000.00 coo 5.64 2.82 38.49 4.59 4.19 37.25 8.97 -39.53 -93.90 8.21 -39.80 -95.86 coo 4.35 13.73 37.63 3.39 12.18 36.55 12.86 -32.58 -84.08 12.77 -34.69 -84.08 coo 3.76 10.25 31.38 3.16 9.87 34.10 7.23 -31.69 -86.93 7.39 -31.46 -89.70 ULMN 3 1sll_c00 SIALIDASE L user 6 3 # 6 318 ASP B 127 ASP^? 1000.00 595 GLU B 124 GLU^? 1000.00 713 TYR B 110 TYR^? 1000.00 coo 5.64 2.82 38.49 4.59 4.19 37.25 1.44 -22.32 -71.15 1.70 -20.39 -72.00 coo 4.35 13.73 37.63 3.39 12.18 36.55 -4.84 -25.10 -80.31 -5.35 -27.01 -79.49 coo 3.76 10.25 31.38 3.16 9.87 34.10 -6.38 -25.61 -74.23 -7.82 -25.83 -76.58 1sll_c00 source 1sll SIALIDASE L : 6 hits 1sll_c00 naa= 3 ULMN 3 1sme_c05 PLASMEPSIN II user 1 3 # 1 B 34 ASP A 18 ASP~? 1000.00 B 37 SER A 16 SER.? 1000.00 B 214 ASP A 4 ASP^? 1000.00 coo 17.69 97.58 52.73 17.33 97.19 54.77 26.87 -23.27 -16.72 26.31 -23.96 -18.62 coo 20.67 100.44 55.84 20.21 98.51 54.45 29.28 -18.48 -20.76 27.76 -20.30 -20.33 coo 12.41 98.71 58.47 14.37 98.17 58.05 19.46 -21.33 -18.77 18.88 -20.63 -16.86 ULMN 3 1sme_c05 PLASMEPSIN II user 2 3 # 2 B 34 ASP A 64 ASP^? 1000.00 B 37 SER A 67 SER^? 1000.00 B 214 ASP A 13 ASP.? 1000.00 coo 17.69 97.58 52.73 17.33 97.19 54.77 29.43 -11.47 -24.77 28.22 -12.20 -26.29 coo 20.67 100.44 55.84 20.21 98.51 54.45 29.87 -9.30 -30.54 29.24 -8.38 -28.41 coo 12.41 98.71 58.47 14.37 98.17 58.05 35.39 -17.87 -27.45 36.78 -19.31 -28.08 ULMN 3 1sme_c05 PLASMEPSIN II user 3 3 # 3 B 34 ASP B 18 ASP^? 1000.00 B 37 SER B 16 SER^? 1000.00 B 214 ASP B 4 ASP^? 1000.00 coo 17.69 97.58 52.73 17.33 97.19 54.77 6.68 -34.89 -92.82 7.57 -34.75 -90.92 coo 20.67 100.44 55.84 20.21 98.51 54.45 1.34 -34.60 -88.79 3.68 -34.16 -89.21 coo 12.41 98.71 58.47 14.37 98.17 58.05 8.72 -27.52 -90.78 8.40 -26.67 -92.69 ULMN 3 1sme_c05 PLASMEPSIN II user 4 3 # 4 B 34 ASP B 64 ASP^? 1000.00 B 37 SER B 67 SER^? 1000.00 B 214 ASP B 13 ASP^? 1000.00 coo 17.69 97.58 52.73 17.33 97.19 54.77 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 coo 20.67 100.44 55.84 20.21 98.51 54.45 -6.90 -30.50 -78.99 -7.38 -29.51 -81.14 coo 12.41 98.71 58.47 14.37 98.17 58.05 -2.24 -39.57 -82.10 -1.69 -41.51 -81.47 1sme_c05 source 1sme PLASMEPSIN II : 4 hits 1sme_c05 naa= 3 ULMN 3 1ssx_c02 ALPHA-LYTIC PROTEASE user 1 3 # 1 A 57 HIS A 21 HIS~? 1000.00 A 102 ASP A 18 ASP~? 1000.00 A 193 GLY A 14 GLY.? 1000.00 coo 15.02 29.17 19.44 15.63 29.96 17.60 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo 19.67 30.58 22.61 18.30 29.87 21.17 26.87 -23.27 -16.72 26.31 -23.96 -18.62 coo 14.52 29.10 10.01 15.08 29.66 10.19 31.16 -16.49 -26.28 31.87 -16.86 -25.96 ULMN 3 1ssx_c02 ALPHA-LYTIC PROTEASE user 2 3 # 2 A 57 HIS B 21 HIS^? 1000.00 A 102 ASP B 18 ASP^? 1000.00 A 193 GLY B 14 GLY^? 1000.00 coo 15.02 29.17 19.44 15.63 29.96 17.60 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo 19.67 30.58 22.61 18.30 29.87 21.17 6.68 -34.89 -92.82 7.57 -34.75 -90.92 coo 14.52 29.10 10.01 15.08 29.66 10.19 -1.32 -35.21 -83.27 -1.35 -36.02 -83.59 1ssx_c02 source 1ssx ALPHA-LYTIC PROTEASE : 2 hits 1ssx_c02 naa= 3 ULMN 3 1tz3_c02 PUTATIVE SUGAR KINASE user 1 3 # 1 A 250 ALA A 66 ALA^? 1000.00 A 251 GLY A 14 GLY.? 1000.00 A 252 ASP A 13 ASP.? 1000.00 coo 27.46 -16.39 -4.13 28.50 -15.30 -4.20 31.33 -12.63 -29.52 30.28 -13.70 -29.40 coo 24.64 -14.61 -2.31 24.63 -15.34 -2.63 31.16 -16.49 -26.28 31.87 -16.86 -25.96 coo 21.52 -17.78 -4.15 20.67 -16.16 -5.23 35.39 -17.87 -27.45 36.78 -19.31 -28.08 ULMN 3 1tz3_c02 PUTATIVE SUGAR KINASE user 2 3 # 2 A 250 ALA A 66 ALA^? 1000.00 A 251 GLY A 14 GLY.? 1000.00 A 252 ASP A 64 ASP^? 1000.00 coo 27.46 -16.39 -4.13 28.50 -15.30 -4.20 31.33 -12.63 -29.52 30.28 -13.70 -29.40 coo 24.64 -14.61 -2.31 24.63 -15.34 -2.63 31.16 -16.49 -26.28 31.87 -16.86 -25.96 coo 21.52 -17.78 -4.15 20.67 -16.16 -5.23 29.43 -11.47 -24.77 28.22 -12.20 -26.29 ULMN 3 1tz3_c02 PUTATIVE SUGAR KINASE user 3 3 # 3 A 250 ALA B 66 ALA^? 1000.00 A 251 GLY B 14 GLY^? 1000.00 A 252 ASP B 13 ASP^? 1000.00 coo 27.46 -16.39 -4.13 28.50 -15.30 -4.20 -4.74 -33.43 -80.02 -3.29 -33.06 -80.13 coo 24.64 -14.61 -2.31 24.63 -15.34 -2.63 -1.32 -35.21 -83.27 -1.35 -36.02 -83.59 coo 21.52 -17.78 -4.15 20.67 -16.16 -5.23 -2.24 -39.57 -82.10 -1.69 -41.51 -81.47 ULMN 3 1tz3_c02 PUTATIVE SUGAR KINASE user 4 3 # 4 A 250 ALA B 66 ALA^? 1000.00 A 251 GLY B 14 GLY^? 1000.00 A 252 ASP B 64 ASP^? 1000.00 coo 27.46 -16.39 -4.13 28.50 -15.30 -4.20 -4.74 -33.43 -80.02 -3.29 -33.06 -80.13 coo 24.64 -14.61 -2.31 24.63 -15.34 -2.63 -1.32 -35.21 -83.27 -1.35 -36.02 -83.59 coo 21.52 -17.78 -4.15 20.67 -16.16 -5.23 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 1tz3_c02 source 1tz3 PUTATIVE SUGAR KINASE : 4 hits 1tz3_c02 naa= 3 ULMN 3 1tz3_c03 PUTATIVE SUGAR KINASE user 1 3 # 1 B 250 ALA A 66 ALA^? 1000.00 B 251 GLY A 14 GLY.? 1000.00 B 252 ASP A 13 ASP.? 1000.00 coo 16.60 -23.26 -48.35 15.78 -24.48 -48.70 31.33 -12.63 -29.52 30.28 -13.70 -29.40 coo 14.17 -20.48 -49.26 14.89 -20.41 -48.91 31.16 -16.49 -26.28 31.87 -16.86 -25.96 coo 16.67 -17.59 -46.30 15.00 -17.34 -45.02 35.39 -17.87 -27.45 36.78 -19.31 -28.08 ULMN 3 1tz3_c03 PUTATIVE SUGAR KINASE user 2 3 # 2 B 250 ALA A 66 ALA^? 1000.00 B 251 GLY A 14 GLY.? 1000.00 B 252 ASP A 64 ASP^? 1000.00 coo 16.60 -23.26 -48.35 15.78 -24.48 -48.70 31.33 -12.63 -29.52 30.28 -13.70 -29.40 coo 14.17 -20.48 -49.26 14.89 -20.41 -48.91 31.16 -16.49 -26.28 31.87 -16.86 -25.96 coo 16.67 -17.59 -46.30 15.00 -17.34 -45.02 29.43 -11.47 -24.77 28.22 -12.20 -26.29 ULMN 3 1tz3_c03 PUTATIVE SUGAR KINASE user 3 3 # 3 B 250 ALA B 66 ALA^? 1000.00 B 251 GLY B 14 GLY^? 1000.00 B 252 ASP B 13 ASP^? 1000.00 coo 16.60 -23.26 -48.35 15.78 -24.48 -48.70 -4.74 -33.43 -80.02 -3.29 -33.06 -80.13 coo 14.17 -20.48 -49.26 14.89 -20.41 -48.91 -1.32 -35.21 -83.27 -1.35 -36.02 -83.59 coo 16.67 -17.59 -46.30 15.00 -17.34 -45.02 -2.24 -39.57 -82.10 -1.69 -41.51 -81.47 ULMN 3 1tz3_c03 PUTATIVE SUGAR KINASE user 4 3 # 4 B 250 ALA B 66 ALA^? 1000.00 B 251 GLY B 14 GLY^? 1000.00 B 252 ASP B 64 ASP^? 1000.00 coo 16.60 -23.26 -48.35 15.78 -24.48 -48.70 -4.74 -33.43 -80.02 -3.29 -33.06 -80.13 coo 14.17 -20.48 -49.26 14.89 -20.41 -48.91 -1.32 -35.21 -83.27 -1.35 -36.02 -83.59 coo 16.67 -17.59 -46.30 15.00 -17.34 -45.02 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 1tz3_c03 source 1tz3 PUTATIVE SUGAR KINASE : 4 hits 1tz3_c03 naa= 3 ULMN 3 1uk7_c00 3.07.01.0009 user 1 3 # 1 A 103 ALA A 96 ALA^? 1000.00 A 224 ASP A 18 ASP~? 1000.00 A 252 HIS A 21 HIS~? 1000.00 coo 10.74 41.88 -3.62 10.55 41.61 -5.11 19.10 -29.71 -22.50 20.08 -29.54 -23.63 coo 7.52 49.49 -8.72 7.95 47.43 -8.44 26.87 -23.27 -16.72 26.31 -23.96 -18.62 coo 9.83 44.81 -9.44 9.32 43.66 -7.77 26.02 -25.01 -22.11 24.46 -26.35 -22.53 ULMN 3 1uk7_c00 3.07.01.0009 user 2 3 # 2 A 103 ALA B 96 ALA^? 1000.00 A 224 ASP B 18 ASP^? 1000.00 A 252 HIS B 21 HIS^? 1000.00 coo 10.74 41.88 -3.62 10.55 41.61 -5.11 16.17 -31.39 -87.06 15.53 -32.16 -85.92 coo 7.52 49.49 -8.72 7.95 47.43 -8.44 6.68 -34.89 -92.82 7.57 -34.75 -90.92 coo 9.83 44.81 -9.44 9.32 43.66 -7.77 8.62 -35.03 -87.45 10.56 -34.35 -87.03 1uk7_c00 source 1uk7 3.07.01.0009 : 2 hits 1uk7_c00 naa= 3 ULMN 3 1uok_c03 OLIGO-1,6-GLUCOSIDASE user 1 3 # 1 199 ASP A 64 ASP^? 1000.00 255 GLU A 15 GLU.? 1000.00 329 ASP A 13 ASP.? 1000.00 coo 49.16 35.16 15.19 51.08 34.43 15.65 29.43 -11.47 -24.77 28.22 -12.20 -26.29 coo 52.57 37.12 10.17 53.37 35.95 11.75 31.83 -13.52 -21.46 31.81 -11.49 -22.03 coo 59.16 37.82 13.95 57.63 37.03 15.12 35.39 -17.87 -27.45 36.78 -19.31 -28.08 ULMN 3 1uok_c03 OLIGO-1,6-GLUCOSIDASE user 2 3 # 2 199 ASP B 64 ASP^? 1000.00 255 GLU B 15 GLU^? 1000.00 329 ASP B 13 ASP^? 1000.00 coo 49.16 35.16 15.19 51.08 34.43 15.65 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 coo 52.57 37.12 10.17 53.37 35.95 11.75 -4.24 -34.31 -88.08 -5.97 -33.27 -87.50 coo 59.16 37.82 13.95 57.63 37.03 15.12 -2.24 -39.57 -82.10 -1.69 -41.51 -81.47 1uok_c03 source 1uok OLIGO-1,6-GLUCOSIDASE : 2 hits 1uok_c03 naa= 3 ULMN 3 1vzx_c02 2.04.01.0087 user 1 3 # 1 A 314 TYR A 110 TYR^? 1000.00 A 317 GLU A 124 GLU^? 1000.00 A 365 ARG A 58 ARG^? 1000.00 coo 1.77 6.56 57.05 3.05 7.44 59.37 25.37 -7.28 -35.31 26.28 -6.16 -32.97 coo 3.06 2.85 52.79 4.83 3.89 53.24 24.17 -8.38 -29.24 26.07 -8.88 -30.07 coo 3.82 17.09 49.56 4.09 14.32 50.84 13.69 -12.28 -35.52 13.48 -9.28 -35.96 ULMN 3 1vzx_c02 2.04.01.0087 user 2 3 # 2 A 314 TYR B 110 TYR^? 1000.00 A 317 GLU B 124 GLU^? 1000.00 A 365 ARG B 58 ARG^? 1000.00 coo 1.77 6.56 57.05 3.05 7.44 59.37 -6.38 -25.61 -74.23 -7.82 -25.83 -76.58 coo 3.06 2.85 52.79 4.83 3.89 53.24 -4.84 -25.10 -80.31 -5.35 -27.01 -79.49 coo 3.82 17.09 49.56 4.09 14.32 50.84 3.79 -17.99 -74.03 1.30 -16.30 -73.57 1vzx_c02 source 1vzx 2.04.01.0087 : 2 hits 1vzx_c02 naa= 3 ULMN 3 1vzx_c03 2.04.01.0087 user 1 3 # 1 B1314 TYR A 110 TYR^? 1000.00 B1317 GLU A 124 GLU^? 1000.00 B1365 ARG A 58 ARG^? 1000.00 coo 13.32 10.15 -9.20 12.07 11.36 -11.38 25.37 -7.28 -35.31 26.28 -6.16 -32.97 coo 12.13 5.84 -5.49 10.31 6.88 -5.76 24.17 -8.38 -29.24 26.07 -8.88 -30.07 coo 11.24 19.69 -0.67 10.92 17.07 -2.21 13.69 -12.28 -35.52 13.48 -9.28 -35.96 ULMN 3 1vzx_c03 2.04.01.0087 user 2 3 # 2 B1314 TYR B 110 TYR^? 1000.00 B1317 GLU B 124 GLU^? 1000.00 B1365 ARG B 58 ARG^? 1000.00 coo 13.32 10.15 -9.20 12.07 11.36 -11.38 -6.38 -25.61 -74.23 -7.82 -25.83 -76.58 coo 12.13 5.84 -5.49 10.31 6.88 -5.76 -4.84 -25.10 -80.31 -5.35 -27.01 -79.49 coo 11.24 19.69 -0.67 10.92 17.07 -2.21 3.79 -17.99 -74.03 1.30 -16.30 -73.57 1vzx_c03 source 1vzx 2.04.01.0087 : 2 hits 1vzx_c03 naa= 3 ULMN 3 1vzz_c00 STEROID DELTA-ISOMERASE user 1 3 # 1 A 16 TYR A 110 TYR^? 1000.00 A 40 ASP A 64 ASP^? 1000.00 A 103 LEU A 70 LEU^? 1000.00 coo 12.09 16.13 10.57 11.28 18.80 10.73 25.37 -7.28 -35.31 26.28 -6.16 -32.97 coo 7.55 25.51 14.34 9.65 25.73 14.24 29.43 -11.47 -24.77 28.22 -12.20 -26.29 coo 11.83 18.73 16.99 10.99 19.71 15.26 28.13 -11.32 -33.81 27.84 -13.10 -32.55 ULMN 3 1vzz_c00 STEROID DELTA-ISOMERASE user 2 3 # 2 A 16 TYR A 130 TYR^? 1000.00 A 40 ASP A 127 ASP^? 1000.00 A 103 LEU A 57 LEU^? 1000.00 coo 12.09 16.13 10.57 11.28 18.80 10.73 19.24 -22.19 -40.85 16.56 -22.21 -40.14 coo 7.55 25.51 14.34 9.65 25.73 14.24 18.62 -12.41 -38.39 16.82 -11.65 -37.54 coo 11.83 18.73 16.99 10.99 19.71 15.26 17.48 -18.91 -35.61 17.91 -19.55 -33.58 ULMN 3 1vzz_c00 STEROID DELTA-ISOMERASE user 3 3 # 3 A 16 TYR B 110 TYR^? 1000.00 A 40 ASP B 64 ASP^? 1000.00 A 103 LEU B 70 LEU^? 1000.00 coo 12.09 16.13 10.57 11.28 18.80 10.73 -6.38 -25.61 -74.23 -7.82 -25.83 -76.58 coo 7.55 25.51 14.34 9.65 25.73 14.24 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 coo 11.83 18.73 16.99 10.99 19.71 15.26 -4.27 -30.01 -75.73 -2.59 -30.64 -76.99 ULMN 3 1vzz_c00 STEROID DELTA-ISOMERASE user 4 3 # 4 A 16 TYR B 130 TYR^? 1000.00 A 40 ASP B 127 ASP^? 1000.00 A 103 LEU B 57 LEU^? 1000.00 coo 12.09 16.13 10.57 11.28 18.80 10.73 9.59 -27.76 -68.70 10.95 -25.45 -69.40 coo 7.55 25.51 14.34 9.65 25.73 14.24 1.44 -22.32 -71.15 1.70 -20.39 -72.00 coo 11.83 18.73 16.99 10.99 19.71 15.26 7.66 -24.59 -73.94 7.96 -25.27 -75.98 1vzz_c00 source 1vzz STEROID DELTA-ISOMERASE : 4 hits 1vzz_c00 naa= 3 ULMN 3 1vzz_c01 STEROID DELTA-ISOMERASE user 1 3 # 1 B 16 TYR A 110 TYR^? 1000.00 B 40 ASP A 64 ASP^? 1000.00 B 103 LEU A 70 LEU^? 1000.00 coo 14.25 20.09 37.35 13.48 17.40 37.38 25.37 -7.28 -35.31 26.28 -6.16 -32.97 coo 9.39 10.77 34.53 11.50 10.63 34.41 29.43 -11.47 -24.77 28.22 -12.20 -26.29 coo 12.89 17.60 31.13 12.34 16.51 32.90 28.13 -11.32 -33.81 27.84 -13.10 -32.55 ULMN 3 1vzz_c01 STEROID DELTA-ISOMERASE user 2 3 # 2 B 16 TYR A 130 TYR^? 1000.00 B 40 ASP A 127 ASP^? 1000.00 B 103 LEU A 57 LEU^? 1000.00 coo 14.25 20.09 37.35 13.48 17.40 37.38 19.24 -22.19 -40.85 16.56 -22.21 -40.14 coo 9.39 10.77 34.53 11.50 10.63 34.41 18.62 -12.41 -38.39 16.82 -11.65 -37.54 coo 12.89 17.60 31.13 12.34 16.51 32.90 17.48 -18.91 -35.61 17.91 -19.55 -33.58 ULMN 3 1vzz_c01 STEROID DELTA-ISOMERASE user 3 3 # 3 B 16 TYR B 110 TYR^? 1000.00 B 40 ASP B 64 ASP^? 1000.00 B 103 LEU B 70 LEU^? 1000.00 coo 14.25 20.09 37.35 13.48 17.40 37.38 -6.38 -25.61 -74.23 -7.82 -25.83 -76.58 coo 9.39 10.77 34.53 11.50 10.63 34.41 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 coo 12.89 17.60 31.13 12.34 16.51 32.90 -4.27 -30.01 -75.73 -2.59 -30.64 -76.99 ULMN 3 1vzz_c01 STEROID DELTA-ISOMERASE user 4 3 # 4 B 16 TYR B 130 TYR^? 1000.00 B 40 ASP B 127 ASP^? 1000.00 B 103 LEU B 57 LEU^? 1000.00 coo 14.25 20.09 37.35 13.48 17.40 37.38 9.59 -27.76 -68.70 10.95 -25.45 -69.40 coo 9.39 10.77 34.53 11.50 10.63 34.41 1.44 -22.32 -71.15 1.70 -20.39 -72.00 coo 12.89 17.60 31.13 12.34 16.51 32.90 7.66 -24.59 -73.94 7.96 -25.27 -75.98 1vzz_c01 source 1vzz STEROID DELTA-ISOMERASE : 4 hits 1vzz_c01 naa= 3 ULMN 3 1xny_c00 PROPIONYL-COA CARBOXYLASE COMPLEX B user 1 3 # 1 A 183 GLY A 148 GLY^? 1000.00 B 419 GLY A 147 GLY^? 1000.00 B 420 ALA A 146 ALA^? 1000.00 coo 26.12 -67.67-130.71 26.18 -67.32-131.45 13.89 -40.76 -23.20 13.64 -40.00 -23.01 coo 25.10 -66.82-126.88 25.40 -66.55-126.17 13.40 -39.24 -19.76 14.03 -38.80 -20.16 coo 26.37 -68.04-123.51 27.50 -67.42-122.72 15.23 -36.81 -17.51 16.40 -36.54 -18.43 ULMN 3 1xny_c00 PROPIONYL-COA CARBOXYLASE COMPLEX B user 2 3 # 2 A 183 GLY B 148 GLY^? 1000.00 B 419 GLY B 147 GLY^? 1000.00 B 420 ALA B 146 ALA^? 1000.00 coo 26.12 -67.67-130.71 26.18 -67.32-131.45 28.33 -32.43 -86.36 27.79 -31.82 -86.54 coo 25.10 -66.82-126.88 25.40 -66.55-126.17 27.26 -31.23 -89.80 26.56 -31.56 -89.40 coo 26.37 -68.04-123.51 27.50 -67.42-122.72 24.24 -31.60 -92.05 23.42 -32.47 -91.13 1xny_c00 source 1xny PROPIONYL-COA CARBOXYLASE COMPLEX B SUBUNIT : 2 hits 1xny_c00 naa= 3 ULMN 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 1 3 # 1 A 420 ALA A 146 ALA^? 1000.00 B 182 GLY A 92 GLY^? 1000.00 B 183 GLY A 144 GLY^? 1000.00 coo 38.36-101.47-135.52 39.62-101.29-136.35 15.23 -36.81 -17.51 16.40 -36.54 -18.43 coo 41.93-102.35-126.87 41.52-101.89-126.30 16.47 -31.18 -12.42 17.07 -30.66 -12.24 coo 38.37-101.99-128.11 38.63-102.24-127.37 13.49 -34.48 -11.29 13.30 -35.09 -11.79 ULMN 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 2 3 # 2 A 420 ALA B 146 ALA^? 1000.00 B 182 GLY B 92 GLY^? 1000.00 B 183 GLY B 144 GLY^? 1000.00 coo 38.36-101.47-135.52 39.62-101.29-136.35 24.24 -31.60 -92.05 23.42 -32.47 -91.13 coo 41.93-102.35-126.87 41.52-101.89-126.30 18.75 -29.85 -97.13 18.00 -30.11 -97.32 coo 38.37-101.99-128.11 38.63-102.24-127.37 23.10 -28.93 -98.27 23.72 -29.07 -97.76 1xny_c01 source 1xny PROPIONYL-COA CARBOXYLASE COMPLEX B SUBUNIT : 2 hits 1xny_c01 naa= 3 ULMN 3 1ybv_c00 TRIHYDROXYNAPHTHALENE REDUCTASE user 1 3 # 1 A 164 SER A 16 SER.? 1000.00 A 178 TYR A 6 TYR^? 1000.00 A 182 LYS A 22 LYS~? 1000.00 coo 81.46 10.53 21.66 82.20 10.82 19.39 29.28 -18.48 -20.76 27.76 -20.30 -20.33 coo 87.67 8.69 17.10 86.62 10.83 18.52 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo 85.30 6.17 22.83 87.26 11.02 23.50 31.99 -23.27 -21.33 35.03 -27.43 -17.58 ULMN 3 1ybv_c00 TRIHYDROXYNAPHTHALENE REDUCTASE user 2 3 # 2 A 164 SER A 67 SER^? 1000.00 A 178 TYR A 110 TYR^? 1000.00 A 182 LYS A 69 LYS^? 1000.00 coo 81.46 10.53 21.66 82.20 10.82 19.39 29.87 -9.30 -30.54 29.24 -8.38 -28.41 coo 87.67 8.69 17.10 86.62 10.83 18.52 25.37 -7.28 -35.31 26.28 -6.16 -32.97 coo 85.30 6.17 22.83 87.26 11.02 23.50 32.90 -11.51 -34.53 36.58 -11.70 -35.14 ULMN 3 1ybv_c00 TRIHYDROXYNAPHTHALENE REDUCTASE user 3 3 # 3 A 164 SER A 72 SER^? 1000.00 A 178 TYR A 110 TYR^? 1000.00 A 182 LYS A 69 LYS^? 1000.00 coo 81.46 10.53 21.66 82.20 10.82 19.39 32.15 -8.85 -38.72 34.11 -8.52 -37.35 coo 87.67 8.69 17.10 86.62 10.83 18.52 25.37 -7.28 -35.31 26.28 -6.16 -32.97 coo 85.30 6.17 22.83 87.26 11.02 23.50 32.90 -11.51 -34.53 36.58 -11.70 -35.14 ULMN 3 1ybv_c00 TRIHYDROXYNAPHTHALENE REDUCTASE user 4 3 # 4 A 164 SER A 156 SER^? 1000.00 A 178 TYR A 130 TYR^? 1000.00 A 182 LYS A 131 LYS^? 1000.00 coo 81.46 10.53 21.66 82.20 10.82 19.39 17.18 -29.56 -45.49 18.99 -29.97 -47.06 coo 87.67 8.69 17.10 86.62 10.83 18.52 19.24 -22.19 -40.85 16.56 -22.21 -40.14 coo 85.30 6.17 22.83 87.26 11.02 23.50 20.68 -24.51 -44.83 21.09 -22.52 -49.85 ULMN 3 1ybv_c00 TRIHYDROXYNAPHTHALENE REDUCTASE user 5 3 # 5 A 164 SER B 16 SER^? 1000.00 A 178 TYR B 6 TYR^? 1000.00 A 182 LYS B 22 LYS^? 1000.00 coo 81.46 10.53 21.66 82.20 10.82 19.39 1.34 -34.60 -88.79 3.68 -34.16 -89.21 coo 87.67 8.69 17.10 86.62 10.83 18.52 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo 85.30 6.17 22.83 87.26 11.02 23.50 4.13 -39.33 -88.23 6.19 -44.05 -91.97 ULMN 3 1ybv_c00 TRIHYDROXYNAPHTHALENE REDUCTASE user 6 3 # 6 A 164 SER B 67 SER^? 1000.00 A 178 TYR B 110 TYR^? 1000.00 A 182 LYS B 69 LYS^? 1000.00 coo 81.46 10.53 21.66 82.20 10.82 19.39 -6.90 -30.50 -78.99 -7.38 -29.51 -81.14 coo 87.67 8.69 17.10 86.62 10.83 18.52 -6.38 -25.61 -74.23 -7.82 -25.83 -76.58 coo 85.30 6.17 22.83 87.26 11.02 23.50 -6.51 -34.23 -75.02 -8.20 -37.51 -74.40 ULMN 3 1ybv_c00 TRIHYDROXYNAPHTHALENE REDUCTASE user 7 3 # 7 A 164 SER B 72 SER^? 1000.00 A 178 TYR B 110 TYR^? 1000.00 A 182 LYS B 69 LYS^? 1000.00 coo 81.46 10.53 21.66 82.20 10.82 19.39 -8.42 -32.26 -70.82 -9.72 -33.77 -72.18 coo 87.67 8.69 17.10 86.62 10.83 18.52 -6.38 -25.61 -74.23 -7.82 -25.83 -76.58 coo 85.30 6.17 22.83 87.26 11.02 23.50 -6.51 -34.23 -75.02 -8.20 -37.51 -74.40 ULMN 3 1ybv_c00 TRIHYDROXYNAPHTHALENE REDUCTASE user 8 3 # 8 A 164 SER B 156 SER^? 1000.00 A 178 TYR B 130 TYR^? 1000.00 A 182 LYS B 131 LYS^? 1000.00 coo 81.46 10.53 21.66 82.20 10.82 19.39 16.99 -29.67 -64.07 16.46 -31.46 -62.50 coo 87.67 8.69 17.10 86.62 10.83 18.52 9.59 -27.76 -68.70 10.95 -25.45 -69.40 coo 85.30 6.17 22.83 87.26 11.02 23.50 10.88 -30.17 -64.72 8.95 -29.51 -59.71 1ybv_c00 source 1ybv TRIHYDROXYNAPHTHALENE REDUCTASE : 8 hits 1ybv_c00 naa= 3 ULMN 3 1ybv_c01 TRIHYDROXYNAPHTHALENE REDUCTASE user 1 3 # 1 B 164 SER A 16 SER.? 1000.00 B 178 TYR A 6 TYR^? 1000.00 B 182 LYS A 22 LYS~? 1000.00 coo 61.22 3.61 34.51 60.46 1.86 35.98 29.28 -18.48 -20.76 27.76 -20.30 -20.33 coo 54.99 -1.20 35.40 56.04 1.15 36.44 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo 57.40 2.23 30.19 55.43 5.44 33.87 31.99 -23.27 -21.33 35.03 -27.43 -17.58 ULMN 3 1ybv_c01 TRIHYDROXYNAPHTHALENE REDUCTASE user 2 3 # 2 B 164 SER A 67 SER^? 1000.00 B 178 TYR A 110 TYR^? 1000.00 B 182 LYS A 69 LYS^? 1000.00 coo 61.22 3.61 34.51 60.46 1.86 35.98 29.87 -9.30 -30.54 29.24 -8.38 -28.41 coo 54.99 -1.20 35.40 56.04 1.15 36.44 25.37 -7.28 -35.31 26.28 -6.16 -32.97 coo 57.40 2.23 30.19 55.43 5.44 33.87 32.90 -11.51 -34.53 36.58 -11.70 -35.14 ULMN 3 1ybv_c01 TRIHYDROXYNAPHTHALENE REDUCTASE user 3 3 # 3 B 164 SER A 72 SER^? 1000.00 B 178 TYR A 110 TYR^? 1000.00 B 182 LYS A 69 LYS^? 1000.00 coo 61.22 3.61 34.51 60.46 1.86 35.98 32.15 -8.85 -38.72 34.11 -8.52 -37.35 coo 54.99 -1.20 35.40 56.04 1.15 36.44 25.37 -7.28 -35.31 26.28 -6.16 -32.97 coo 57.40 2.23 30.19 55.43 5.44 33.87 32.90 -11.51 -34.53 36.58 -11.70 -35.14 ULMN 3 1ybv_c01 TRIHYDROXYNAPHTHALENE REDUCTASE user 4 3 # 4 B 164 SER A 156 SER^? 1000.00 B 178 TYR A 130 TYR^? 1000.00 B 182 LYS A 131 LYS^? 1000.00 coo 61.22 3.61 34.51 60.46 1.86 35.98 17.18 -29.56 -45.49 18.99 -29.97 -47.06 coo 54.99 -1.20 35.40 56.04 1.15 36.44 19.24 -22.19 -40.85 16.56 -22.21 -40.14 coo 57.40 2.23 30.19 55.43 5.44 33.87 20.68 -24.51 -44.83 21.09 -22.52 -49.85 ULMN 3 1ybv_c01 TRIHYDROXYNAPHTHALENE REDUCTASE user 5 3 # 5 B 164 SER B 16 SER^? 1000.00 B 178 TYR B 6 TYR^? 1000.00 B 182 LYS B 22 LYS^? 1000.00 coo 61.22 3.61 34.51 60.46 1.86 35.98 1.34 -34.60 -88.79 3.68 -34.16 -89.21 coo 54.99 -1.20 35.40 56.04 1.15 36.44 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo 57.40 2.23 30.19 55.43 5.44 33.87 4.13 -39.33 -88.23 6.19 -44.05 -91.97 ULMN 3 1ybv_c01 TRIHYDROXYNAPHTHALENE REDUCTASE user 6 3 # 6 B 164 SER B 67 SER^? 1000.00 B 178 TYR B 110 TYR^? 1000.00 B 182 LYS B 69 LYS^? 1000.00 coo 61.22 3.61 34.51 60.46 1.86 35.98 -6.90 -30.50 -78.99 -7.38 -29.51 -81.14 coo 54.99 -1.20 35.40 56.04 1.15 36.44 -6.38 -25.61 -74.23 -7.82 -25.83 -76.58 coo 57.40 2.23 30.19 55.43 5.44 33.87 -6.51 -34.23 -75.02 -8.20 -37.51 -74.40 ULMN 3 1ybv_c01 TRIHYDROXYNAPHTHALENE REDUCTASE user 7 3 # 7 B 164 SER B 72 SER^? 1000.00 B 178 TYR B 110 TYR^? 1000.00 B 182 LYS B 69 LYS^? 1000.00 coo 61.22 3.61 34.51 60.46 1.86 35.98 -8.42 -32.26 -70.82 -9.72 -33.77 -72.18 coo 54.99 -1.20 35.40 56.04 1.15 36.44 -6.38 -25.61 -74.23 -7.82 -25.83 -76.58 coo 57.40 2.23 30.19 55.43 5.44 33.87 -6.51 -34.23 -75.02 -8.20 -37.51 -74.40 ULMN 3 1ybv_c01 TRIHYDROXYNAPHTHALENE REDUCTASE user 8 3 # 8 B 164 SER B 156 SER^? 1000.00 B 178 TYR B 130 TYR^? 1000.00 B 182 LYS B 131 LYS^? 1000.00 coo 61.22 3.61 34.51 60.46 1.86 35.98 16.99 -29.67 -64.07 16.46 -31.46 -62.50 coo 54.99 -1.20 35.40 56.04 1.15 36.44 9.59 -27.76 -68.70 10.95 -25.45 -69.40 coo 57.40 2.23 30.19 55.43 5.44 33.87 10.88 -30.17 -64.72 8.95 -29.51 -59.71 1ybv_c01 source 1ybv TRIHYDROXYNAPHTHALENE REDUCTASE : 8 hits 1ybv_c01 naa= 3 ULMN 3 1zrz_c02 PROTEIN KINASE C, IOTA user 1 3 # 1 A 369 ASP A 10 ASP.? 1000.00 A 371 LYS A 8 LYS^? 1000.00 A 407 THR A 82 THR^? 1000.00 coo -5.17 31.09 15.73 -7.07 31.12 16.73 32.49 -23.60 -36.06 31.26 -25.30 -35.99 coo -4.43 30.92 22.89 -6.61 31.91 19.71 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo -8.38 36.02 19.06 -8.83 34.10 19.89 27.39 -25.46 -37.55 27.64 -27.45 -36.79 ULMN 3 1zrz_c02 PROTEIN KINASE C, IOTA user 2 3 # 2 A 369 ASP B 10 ASP^? 1000.00 A 371 LYS B 8 LYS^? 1000.00 A 407 THR B 82 THR^? 1000.00 coo -5.17 31.09 15.73 -7.07 31.12 16.73 4.17 -39.92 -73.48 6.27 -39.73 -73.56 coo -4.43 30.92 22.89 -6.61 31.91 19.71 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo -8.38 36.02 19.06 -8.83 34.10 19.89 8.34 -36.44 -72.00 9.94 -37.66 -72.77 1zrz_c02 source 1zrz PROTEIN KINASE C, IOTA : 2 hits 1zrz_c02 naa= 3 ULMN 3 2aat_c01 ASPARTATE AMINOTRANSFERASE (E.C.2.6.user 1 3 # 1 142 TRP A 24 TRP.? 1000.00 223 ASP A 19 ASP~? 1000.00 258 ALA A 96 ALA^? 1000.00 coo 128.40 33.01 26.67 128.12 36.28 28.81 29.50 -23.82 -24.98 26.46 -25.33 -26.95 coo 127.91 41.73 23.55 129.18 40.35 24.44 29.74 -27.57 -15.65 30.35 -27.04 -13.70 coo 141.00 37.49 25.74 139.80 37.53 24.78 19.10 -29.71 -22.50 20.08 -29.54 -23.63 ULMN 3 2aat_c01 ASPARTATE AMINOTRANSFERASE (E.C.2.6.user 2 3 # 2 142 TRP B 24 TRP^? 1000.00 223 ASP B 19 ASP^? 1000.00 258 ALA B 96 ALA^? 1000.00 coo 128.40 33.01 26.67 128.12 36.28 28.81 5.85 -37.46 -84.57 8.68 -35.58 -82.60 coo 127.91 41.73 23.55 129.18 40.35 24.44 8.97 -39.53 -93.90 8.21 -39.80 -95.86 coo 141.00 37.49 25.74 139.80 37.53 24.78 16.17 -31.39 -87.06 15.53 -32.16 -85.92 2aat_c01 source 2aat ASPARTATE AMINOTRANSFERASE (E.C.2.6.1.1) MUTAN: 2 hits 2aat_c01 naa= 3 ULMN 3 2acu_c01 ALDOSE REDUCTASE (E.C.1.1.1.21) MUTAuser 1 3 # 1 A 43 ASP A 19 ASP~? 1000.00 A 48 HIS A 21 HIS~? 1000.00 A 77 LYS A 23 LYS.? 1000.00 coo 13.04 30.41 72.50 12.95 30.65 70.36 29.74 -27.57 -15.65 30.35 -27.04 -13.70 coo 12.77 23.50 68.33 13.58 25.42 68.49 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo 7.53 29.84 65.06 12.29 29.41 67.79 32.67 -20.15 -23.43 38.88 -20.02 -24.22 ULMN 3 2acu_c01 ALDOSE REDUCTASE (E.C.1.1.1.21) MUTAuser 2 3 # 2 A 43 ASP B 19 ASP^? 1000.00 A 48 HIS B 21 HIS^? 1000.00 A 77 LYS B 23 LYS^? 1000.00 coo 13.04 30.41 72.50 12.95 30.65 70.36 8.97 -39.53 -93.90 8.21 -39.80 -95.86 coo 12.77 23.50 68.33 13.58 25.42 68.49 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo 7.53 29.84 65.06 12.29 29.41 67.79 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 2acu_c01 source 2acu ALDOSE REDUCTASE (E.C.1.1.1.21) MUTANT WITH TY: 2 hits 2acu_c01 naa= 3 ULMN 3 2amg_c02 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 1 3 # 1 193 ASP A 4 ASP^? 1000.00 219 GLU A 26 GLU^? 1000.00 294 ASP A 18 ASP~? 1000.00 coo 27.89 102.52 14.98 29.35 101.92 13.57 19.46 -21.33 -18.77 18.88 -20.63 -16.86 coo 25.84 105.87 9.06 27.86 105.55 8.74 25.58 -17.25 -21.04 25.74 -16.50 -19.06 coo 33.16 106.80 7.72 33.34 104.87 6.92 26.87 -23.27 -16.72 26.31 -23.96 -18.62 ULMN 3 2amg_c02 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 2 3 # 2 193 ASP A 18 ASP~? 1000.00 219 GLU A 26 GLU^? 1000.00 294 ASP A 4 ASP^? 1000.00 coo 27.89 102.52 14.98 29.35 101.92 13.57 26.87 -23.27 -16.72 26.31 -23.96 -18.62 coo 25.84 105.87 9.06 27.86 105.55 8.74 25.58 -17.25 -21.04 25.74 -16.50 -19.06 coo 33.16 106.80 7.72 33.34 104.87 6.92 19.46 -21.33 -18.77 18.88 -20.63 -16.86 ULMN 3 2amg_c02 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 3 3 # 3 193 ASP B 4 ASP^? 1000.00 219 GLU B 26 GLU^? 1000.00 294 ASP B 18 ASP^? 1000.00 coo 27.89 102.52 14.98 29.35 101.92 13.57 8.72 -27.52 -90.78 8.40 -26.67 -92.69 coo 25.84 105.87 9.06 27.86 105.55 8.74 2.14 -30.76 -88.51 1.40 -30.52 -90.48 coo 33.16 106.80 7.72 33.34 104.87 6.92 6.68 -34.89 -92.82 7.57 -34.75 -90.92 ULMN 3 2amg_c02 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 4 3 # 4 193 ASP B 18 ASP^? 1000.00 219 GLU B 26 GLU^? 1000.00 294 ASP B 4 ASP^? 1000.00 coo 27.89 102.52 14.98 29.35 101.92 13.57 6.68 -34.89 -92.82 7.57 -34.75 -90.92 coo 25.84 105.87 9.06 27.86 105.55 8.74 2.14 -30.76 -88.51 1.40 -30.52 -90.48 coo 33.16 106.80 7.72 33.34 104.87 6.92 8.72 -27.52 -90.78 8.40 -26.67 -92.69 2amg_c02 source 2amg 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLASE : 4 hits 2amg_c02 naa= 3 ULMN 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 1 3 # 1 193 ASP A 4 ASP^? 1000.00 231 ASP A 127 ASP^? 1000.00 294 ASP A 18 ASP~? 1000.00 coo 27.89 102.52 14.98 29.35 101.92 13.57 19.46 -21.33 -18.77 18.88 -20.63 -16.86 coo 14.74 93.05 -1.00 14.30 94.22 0.73 18.62 -12.41 -38.39 16.82 -11.65 -37.54 coo 33.16 106.80 7.72 33.34 104.87 6.92 26.87 -23.27 -16.72 26.31 -23.96 -18.62 ULMN 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 2 3 # 2 193 ASP B 4 ASP^? 1000.00 231 ASP B 127 ASP^? 1000.00 294 ASP B 18 ASP^? 1000.00 coo 27.89 102.52 14.98 29.35 101.92 13.57 8.72 -27.52 -90.78 8.40 -26.67 -92.69 coo 14.74 93.05 -1.00 14.30 94.22 0.73 1.44 -22.32 -71.15 1.70 -20.39 -72.00 coo 33.16 106.80 7.72 33.34 104.87 6.92 6.68 -34.89 -92.82 7.57 -34.75 -90.92 2amg_c06 source 2amg 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLASE : 2 hits 2amg_c06 naa= 3 ULMN 3 2cnd_c01 NADH-DEPENDENT NITRATE REDUCTASE (CYuser 1 3 # 1 65 THR A 5 THR^? 1000.00 242 CYH A 98 CYH^? 1000.00 270 PHE A 97 PHE^? 1000.00 coo 12.97 28.35 3.84 11.81 28.07 2.09 19.47 -20.80 -23.49 17.87 -20.32 -24.84 coo 8.65 19.49 -2.27 10.50 20.91 -0.59 15.72 -29.14 -26.53 14.42 -27.53 -28.35 coo 9.41 24.60 -3.66 7.52 26.57 -4.16 14.16 -28.67 -22.02 13.82 -25.93 -21.87 ULMN 3 2cnd_c01 NADH-DEPENDENT NITRATE REDUCTASE (CYuser 2 3 # 2 65 THR B 5 THR^? 1000.00 242 CYH B 98 CYH^? 1000.00 270 PHE B 97 PHE^? 1000.00 coo 12.97 28.35 3.84 11.81 28.07 2.09 8.27 -27.26 -86.05 8.66 -25.65 -84.68 coo 8.65 19.49 -2.27 10.50 20.91 -0.59 17.36 -28.18 -83.02 16.63 -26.25 -81.22 coo 9.41 24.60 -3.66 7.52 26.57 -4.16 17.74 -26.61 -87.53 15.53 -24.94 -87.68 2cnd_c01 source 2cnd NADH-DEPENDENT NITRATE REDUCTASE (CYTOCHROME B: 2 hits 2cnd_c01 naa= 3 ULMN 3 2dw7_c32 BLL6730 PROTEIN user 1 3 # 1 A 182 LYS A 8 LYS^? 1000.00 A 184 LYS A 11 LYS.? 1000.00 A 345 ASP A 64 ASP^? 1000.00 coo 5.98 42.76 7.73 10.19 38.62 9.02 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 2.77 37.17 4.99 6.33 34.76 8.06 35.58 -20.94 -33.59 38.95 -22.16 -38.38 coo 0.07 40.30 18.65 -0.21 42.34 18.18 29.43 -11.47 -24.77 28.22 -12.20 -26.29 ULMN 3 2dw7_c32 BLL6730 PROTEIN user 2 3 # 2 A 182 LYS A 8 LYS^? 1000.00 A 184 LYS A 23 LYS.? 1000.00 A 345 ASP A 4 ASP^? 1000.00 coo 5.98 42.76 7.73 10.19 38.62 9.02 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 2.77 37.17 4.99 6.33 34.76 8.06 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 0.07 40.30 18.65 -0.21 42.34 18.18 19.46 -21.33 -18.77 18.88 -20.63 -16.86 ULMN 3 2dw7_c32 BLL6730 PROTEIN user 3 3 # 3 A 182 LYS A 11 LYS.? 1000.00 A 184 LYS A 8 LYS^? 1000.00 A 345 ASP A 64 ASP^? 1000.00 coo 5.98 42.76 7.73 10.19 38.62 9.02 35.58 -20.94 -33.59 38.95 -22.16 -38.38 coo 2.77 37.17 4.99 6.33 34.76 8.06 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 0.07 40.30 18.65 -0.21 42.34 18.18 29.43 -11.47 -24.77 28.22 -12.20 -26.29 ULMN 3 2dw7_c32 BLL6730 PROTEIN user 4 3 # 4 A 182 LYS A 23 LYS.? 1000.00 A 184 LYS A 8 LYS^? 1000.00 A 345 ASP A 4 ASP^? 1000.00 coo 5.98 42.76 7.73 10.19 38.62 9.02 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 2.77 37.17 4.99 6.33 34.76 8.06 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 0.07 40.30 18.65 -0.21 42.34 18.18 19.46 -21.33 -18.77 18.88 -20.63 -16.86 ULMN 3 2dw7_c32 BLL6730 PROTEIN user 5 3 # 5 A 182 LYS A 23 LYS.? 1000.00 A 184 LYS A 8 LYS^? 1000.00 A 345 ASP A 19 ASP~? 1000.00 coo 5.98 42.76 7.73 10.19 38.62 9.02 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 2.77 37.17 4.99 6.33 34.76 8.06 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 0.07 40.30 18.65 -0.21 42.34 18.18 29.74 -27.57 -15.65 30.35 -27.04 -13.70 ULMN 3 2dw7_c32 BLL6730 PROTEIN user 6 3 # 6 A 182 LYS B 8 LYS^? 1000.00 A 184 LYS B 11 LYS^? 1000.00 A 345 ASP B 64 ASP^? 1000.00 coo 5.98 42.76 7.73 10.19 38.62 9.02 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 2.77 37.17 4.99 6.33 34.76 8.06 0.33 -41.28 -75.95 -0.30 -44.81 -71.18 coo 0.07 40.30 18.65 -0.21 42.34 18.18 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 ULMN 3 2dw7_c32 BLL6730 PROTEIN user 7 3 # 7 A 182 LYS B 8 LYS^? 1000.00 A 184 LYS B 23 LYS^? 1000.00 A 345 ASP B 4 ASP^? 1000.00 coo 5.98 42.76 7.73 10.19 38.62 9.02 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 2.77 37.17 4.99 6.33 34.76 8.06 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 0.07 40.30 18.65 -0.21 42.34 18.18 8.72 -27.52 -90.78 8.40 -26.67 -92.69 ULMN 3 2dw7_c32 BLL6730 PROTEIN user 8 3 # 8 A 182 LYS B 11 LYS^? 1000.00 A 184 LYS B 8 LYS^? 1000.00 A 345 ASP B 64 ASP^? 1000.00 coo 5.98 42.76 7.73 10.19 38.62 9.02 0.33 -41.28 -75.95 -0.30 -44.81 -71.18 coo 2.77 37.17 4.99 6.33 34.76 8.06 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 0.07 40.30 18.65 -0.21 42.34 18.18 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 ULMN 3 2dw7_c32 BLL6730 PROTEIN user 9 3 # 9 A 182 LYS B 23 LYS^? 1000.00 A 184 LYS B 8 LYS^? 1000.00 A 345 ASP B 4 ASP^? 1000.00 coo 5.98 42.76 7.73 10.19 38.62 9.02 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 2.77 37.17 4.99 6.33 34.76 8.06 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 0.07 40.30 18.65 -0.21 42.34 18.18 8.72 -27.52 -90.78 8.40 -26.67 -92.69 ULMN 3 2dw7_c32 BLL6730 PROTEIN user 10 3 # 10 A 182 LYS B 23 LYS^? 1000.00 A 184 LYS B 8 LYS^? 1000.00 A 345 ASP B 19 ASP^? 1000.00 coo 5.98 42.76 7.73 10.19 38.62 9.02 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 2.77 37.17 4.99 6.33 34.76 8.06 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 0.07 40.30 18.65 -0.21 42.34 18.18 8.97 -39.53 -93.90 8.21 -39.80 -95.86 2dw7_c32 source 2dw7 BLL6730 PROTEIN : 10 hits 2dw7_c32 naa= 3 ULMN 3 2dw7_c33 BLL6730 PROTEIN user 1 3 # 1 B 182 LYS A 8 LYS^? 1000.00 B 184 LYS A 11 LYS.? 1000.00 B 345 ASP A 64 ASP^? 1000.00 coo 38.76 2.27 4.00 34.00 5.99 4.37 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 40.63 7.13 9.06 35.85 7.36 8.95 35.58 -20.94 -33.59 38.95 -22.16 -38.38 coo 34.36 -6.33 13.69 36.02 -6.07 12.41 29.43 -11.47 -24.77 28.22 -12.20 -26.29 ULMN 3 2dw7_c33 BLL6730 PROTEIN user 2 3 # 2 B 182 LYS A 8 LYS^? 1000.00 B 184 LYS A 23 LYS.? 1000.00 B 345 ASP A 4 ASP^? 1000.00 coo 38.76 2.27 4.00 34.00 5.99 4.37 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 40.63 7.13 9.06 35.85 7.36 8.95 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 34.36 -6.33 13.69 36.02 -6.07 12.41 19.46 -21.33 -18.77 18.88 -20.63 -16.86 ULMN 3 2dw7_c33 BLL6730 PROTEIN user 3 3 # 3 B 182 LYS A 23 LYS.? 1000.00 B 184 LYS A 8 LYS^? 1000.00 B 345 ASP A 4 ASP^? 1000.00 coo 38.76 2.27 4.00 34.00 5.99 4.37 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 40.63 7.13 9.06 35.85 7.36 8.95 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 34.36 -6.33 13.69 36.02 -6.07 12.41 19.46 -21.33 -18.77 18.88 -20.63 -16.86 ULMN 3 2dw7_c33 BLL6730 PROTEIN user 4 3 # 4 B 182 LYS B 8 LYS^? 1000.00 B 184 LYS B 11 LYS^? 1000.00 B 345 ASP B 64 ASP^? 1000.00 coo 38.76 2.27 4.00 34.00 5.99 4.37 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 40.63 7.13 9.06 35.85 7.36 8.95 0.33 -41.28 -75.95 -0.30 -44.81 -71.18 coo 34.36 -6.33 13.69 36.02 -6.07 12.41 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 ULMN 3 2dw7_c33 BLL6730 PROTEIN user 5 3 # 5 B 182 LYS B 8 LYS^? 1000.00 B 184 LYS B 23 LYS^? 1000.00 B 345 ASP B 4 ASP^? 1000.00 coo 38.76 2.27 4.00 34.00 5.99 4.37 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 40.63 7.13 9.06 35.85 7.36 8.95 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 34.36 -6.33 13.69 36.02 -6.07 12.41 8.72 -27.52 -90.78 8.40 -26.67 -92.69 ULMN 3 2dw7_c33 BLL6730 PROTEIN user 6 3 # 6 B 182 LYS B 23 LYS^? 1000.00 B 184 LYS B 8 LYS^? 1000.00 B 345 ASP B 4 ASP^? 1000.00 coo 38.76 2.27 4.00 34.00 5.99 4.37 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 40.63 7.13 9.06 35.85 7.36 8.95 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 34.36 -6.33 13.69 36.02 -6.07 12.41 8.72 -27.52 -90.78 8.40 -26.67 -92.69 2dw7_c33 source 2dw7 BLL6730 PROTEIN : 6 hits 2dw7_c33 naa= 3 ULMN 3 2dw7_c34 BLL6730 PROTEIN user 1 3 # 1 C 182 LYS A 8 LYS^? 1000.00 C 184 LYS A 11 LYS.? 1000.00 C 345 ASP A 64 ASP^? 1000.00 coo -5.66 12.40 71.13 -2.66 9.98 66.50 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 0.95 12.72 73.51 1.58 12.72 68.31 35.58 -20.94 -33.59 38.95 -22.16 -38.38 coo -4.59 24.28 66.67 -6.26 24.34 67.99 29.43 -11.47 -24.77 28.22 -12.20 -26.29 ULMN 3 2dw7_c34 BLL6730 PROTEIN user 2 3 # 2 C 182 LYS A 8 LYS^? 1000.00 C 184 LYS A 23 LYS.? 1000.00 C 345 ASP A 4 ASP^? 1000.00 coo -5.66 12.40 71.13 -2.66 9.98 66.50 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 0.95 12.72 73.51 1.58 12.72 68.31 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo -4.59 24.28 66.67 -6.26 24.34 67.99 19.46 -21.33 -18.77 18.88 -20.63 -16.86 ULMN 3 2dw7_c34 BLL6730 PROTEIN user 3 3 # 3 C 182 LYS A 23 LYS.? 1000.00 C 184 LYS A 8 LYS^? 1000.00 C 345 ASP A 4 ASP^? 1000.00 coo -5.66 12.40 71.13 -2.66 9.98 66.50 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 0.95 12.72 73.51 1.58 12.72 68.31 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo -4.59 24.28 66.67 -6.26 24.34 67.99 19.46 -21.33 -18.77 18.88 -20.63 -16.86 ULMN 3 2dw7_c34 BLL6730 PROTEIN user 4 3 # 4 C 182 LYS A 23 LYS.? 1000.00 C 184 LYS A 8 LYS^? 1000.00 C 345 ASP A 19 ASP~? 1000.00 coo -5.66 12.40 71.13 -2.66 9.98 66.50 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 0.95 12.72 73.51 1.58 12.72 68.31 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo -4.59 24.28 66.67 -6.26 24.34 67.99 29.74 -27.57 -15.65 30.35 -27.04 -13.70 ULMN 3 2dw7_c34 BLL6730 PROTEIN user 5 3 # 5 C 182 LYS B 8 LYS^? 1000.00 C 184 LYS B 11 LYS^? 1000.00 C 345 ASP B 64 ASP^? 1000.00 coo -5.66 12.40 71.13 -2.66 9.98 66.50 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 0.95 12.72 73.51 1.58 12.72 68.31 0.33 -41.28 -75.95 -0.30 -44.81 -71.18 coo -4.59 24.28 66.67 -6.26 24.34 67.99 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 ULMN 3 2dw7_c34 BLL6730 PROTEIN user 6 3 # 6 C 182 LYS B 8 LYS^? 1000.00 C 184 LYS B 23 LYS^? 1000.00 C 345 ASP B 4 ASP^? 1000.00 coo -5.66 12.40 71.13 -2.66 9.98 66.50 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 0.95 12.72 73.51 1.58 12.72 68.31 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo -4.59 24.28 66.67 -6.26 24.34 67.99 8.72 -27.52 -90.78 8.40 -26.67 -92.69 ULMN 3 2dw7_c34 BLL6730 PROTEIN user 7 3 # 7 C 182 LYS B 23 LYS^? 1000.00 C 184 LYS B 8 LYS^? 1000.00 C 345 ASP B 4 ASP^? 1000.00 coo -5.66 12.40 71.13 -2.66 9.98 66.50 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 0.95 12.72 73.51 1.58 12.72 68.31 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo -4.59 24.28 66.67 -6.26 24.34 67.99 8.72 -27.52 -90.78 8.40 -26.67 -92.69 ULMN 3 2dw7_c34 BLL6730 PROTEIN user 8 3 # 8 C 182 LYS B 23 LYS^? 1000.00 C 184 LYS B 8 LYS^? 1000.00 C 345 ASP B 19 ASP^? 1000.00 coo -5.66 12.40 71.13 -2.66 9.98 66.50 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 0.95 12.72 73.51 1.58 12.72 68.31 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo -4.59 24.28 66.67 -6.26 24.34 67.99 8.97 -39.53 -93.90 8.21 -39.80 -95.86 2dw7_c34 source 2dw7 BLL6730 PROTEIN : 8 hits 2dw7_c34 naa= 3 ULMN 3 2dw7_c35 BLL6730 PROTEIN user 1 3 # 1 D 182 LYS A 8 LYS^? 1000.00 D 184 LYS A 11 LYS.? 1000.00 D 345 ASP A 64 ASP^? 1000.00 coo 29.31 -12.29 40.88 26.50 -8.82 44.94 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 23.25 -10.73 37.68 24.08 -6.91 41.08 35.58 -20.94 -33.59 38.95 -22.16 -38.38 coo 35.01 -2.71 35.14 36.51 -4.14 34.87 29.43 -11.47 -24.77 28.22 -12.20 -26.29 ULMN 3 2dw7_c35 BLL6730 PROTEIN user 2 3 # 2 D 182 LYS A 8 LYS^? 1000.00 D 184 LYS A 23 LYS.? 1000.00 D 345 ASP A 4 ASP^? 1000.00 coo 29.31 -12.29 40.88 26.50 -8.82 44.94 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 23.25 -10.73 37.68 24.08 -6.91 41.08 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 35.01 -2.71 35.14 36.51 -4.14 34.87 19.46 -21.33 -18.77 18.88 -20.63 -16.86 ULMN 3 2dw7_c35 BLL6730 PROTEIN user 3 3 # 3 D 182 LYS A 23 LYS.? 1000.00 D 184 LYS A 8 LYS^? 1000.00 D 345 ASP A 4 ASP^? 1000.00 coo 29.31 -12.29 40.88 26.50 -8.82 44.94 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 23.25 -10.73 37.68 24.08 -6.91 41.08 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 35.01 -2.71 35.14 36.51 -4.14 34.87 19.46 -21.33 -18.77 18.88 -20.63 -16.86 ULMN 3 2dw7_c35 BLL6730 PROTEIN user 4 3 # 4 D 182 LYS A 23 LYS.? 1000.00 D 184 LYS A 8 LYS^? 1000.00 D 345 ASP A 19 ASP~? 1000.00 coo 29.31 -12.29 40.88 26.50 -8.82 44.94 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 23.25 -10.73 37.68 24.08 -6.91 41.08 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 35.01 -2.71 35.14 36.51 -4.14 34.87 29.74 -27.57 -15.65 30.35 -27.04 -13.70 ULMN 3 2dw7_c35 BLL6730 PROTEIN user 5 3 # 5 D 182 LYS B 8 LYS^? 1000.00 D 184 LYS B 11 LYS^? 1000.00 D 345 ASP B 64 ASP^? 1000.00 coo 29.31 -12.29 40.88 26.50 -8.82 44.94 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 23.25 -10.73 37.68 24.08 -6.91 41.08 0.33 -41.28 -75.95 -0.30 -44.81 -71.18 coo 35.01 -2.71 35.14 36.51 -4.14 34.87 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 ULMN 3 2dw7_c35 BLL6730 PROTEIN user 6 3 # 6 D 182 LYS B 8 LYS^? 1000.00 D 184 LYS B 23 LYS^? 1000.00 D 345 ASP B 4 ASP^? 1000.00 coo 29.31 -12.29 40.88 26.50 -8.82 44.94 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 23.25 -10.73 37.68 24.08 -6.91 41.08 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 35.01 -2.71 35.14 36.51 -4.14 34.87 8.72 -27.52 -90.78 8.40 -26.67 -92.69 ULMN 3 2dw7_c35 BLL6730 PROTEIN user 7 3 # 7 D 182 LYS B 23 LYS^? 1000.00 D 184 LYS B 8 LYS^? 1000.00 D 345 ASP B 4 ASP^? 1000.00 coo 29.31 -12.29 40.88 26.50 -8.82 44.94 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 23.25 -10.73 37.68 24.08 -6.91 41.08 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 35.01 -2.71 35.14 36.51 -4.14 34.87 8.72 -27.52 -90.78 8.40 -26.67 -92.69 ULMN 3 2dw7_c35 BLL6730 PROTEIN user 8 3 # 8 D 182 LYS B 23 LYS^? 1000.00 D 184 LYS B 8 LYS^? 1000.00 D 345 ASP B 19 ASP^? 1000.00 coo 29.31 -12.29 40.88 26.50 -8.82 44.94 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 23.25 -10.73 37.68 24.08 -6.91 41.08 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 35.01 -2.71 35.14 36.51 -4.14 34.87 8.97 -39.53 -93.90 8.21 -39.80 -95.86 2dw7_c35 source 2dw7 BLL6730 PROTEIN : 8 hits 2dw7_c35 naa= 3 ULMN 3 2dw7_c36 BLL6730 PROTEIN user 1 3 # 1 E 182 LYS A 8 LYS^? 1000.00 E 184 LYS A 11 LYS.? 1000.00 E 345 ASP A 64 ASP^? 1000.00 coo -21.16 62.58 121.86 -16.35 60.33 119.23 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo -23.22 55.98 120.74 -18.11 55.31 120.43 35.58 -20.94 -33.59 38.95 -22.16 -38.38 coo -17.15 59.71 133.33 -17.96 61.54 134.01 29.43 -11.47 -24.77 28.22 -12.20 -26.29 ULMN 3 2dw7_c36 BLL6730 PROTEIN user 2 3 # 2 E 182 LYS A 8 LYS^? 1000.00 E 184 LYS A 23 LYS.? 1000.00 E 345 ASP A 4 ASP^? 1000.00 coo -21.16 62.58 121.86 -16.35 60.33 119.23 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo -23.22 55.98 120.74 -18.11 55.31 120.43 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo -17.15 59.71 133.33 -17.96 61.54 134.01 19.46 -21.33 -18.77 18.88 -20.63 -16.86 ULMN 3 2dw7_c36 BLL6730 PROTEIN user 3 3 # 3 E 182 LYS A 23 LYS.? 1000.00 E 184 LYS A 8 LYS^? 1000.00 E 345 ASP A 4 ASP^? 1000.00 coo -21.16 62.58 121.86 -16.35 60.33 119.23 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo -23.22 55.98 120.74 -18.11 55.31 120.43 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo -17.15 59.71 133.33 -17.96 61.54 134.01 19.46 -21.33 -18.77 18.88 -20.63 -16.86 ULMN 3 2dw7_c36 BLL6730 PROTEIN user 4 3 # 4 E 182 LYS A 23 LYS.? 1000.00 E 184 LYS A 8 LYS^? 1000.00 E 345 ASP A 19 ASP~? 1000.00 coo -21.16 62.58 121.86 -16.35 60.33 119.23 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo -23.22 55.98 120.74 -18.11 55.31 120.43 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo -17.15 59.71 133.33 -17.96 61.54 134.01 29.74 -27.57 -15.65 30.35 -27.04 -13.70 ULMN 3 2dw7_c36 BLL6730 PROTEIN user 5 3 # 5 E 182 LYS B 8 LYS^? 1000.00 E 184 LYS B 11 LYS^? 1000.00 E 345 ASP B 64 ASP^? 1000.00 coo -21.16 62.58 121.86 -16.35 60.33 119.23 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo -23.22 55.98 120.74 -18.11 55.31 120.43 0.33 -41.28 -75.95 -0.30 -44.81 -71.18 coo -17.15 59.71 133.33 -17.96 61.54 134.01 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 ULMN 3 2dw7_c36 BLL6730 PROTEIN user 6 3 # 6 E 182 LYS B 8 LYS^? 1000.00 E 184 LYS B 23 LYS^? 1000.00 E 345 ASP B 4 ASP^? 1000.00 coo -21.16 62.58 121.86 -16.35 60.33 119.23 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo -23.22 55.98 120.74 -18.11 55.31 120.43 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo -17.15 59.71 133.33 -17.96 61.54 134.01 8.72 -27.52 -90.78 8.40 -26.67 -92.69 ULMN 3 2dw7_c36 BLL6730 PROTEIN user 7 3 # 7 E 182 LYS B 23 LYS^? 1000.00 E 184 LYS B 8 LYS^? 1000.00 E 345 ASP B 4 ASP^? 1000.00 coo -21.16 62.58 121.86 -16.35 60.33 119.23 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo -23.22 55.98 120.74 -18.11 55.31 120.43 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo -17.15 59.71 133.33 -17.96 61.54 134.01 8.72 -27.52 -90.78 8.40 -26.67 -92.69 ULMN 3 2dw7_c36 BLL6730 PROTEIN user 8 3 # 8 E 182 LYS B 23 LYS^? 1000.00 E 184 LYS B 8 LYS^? 1000.00 E 345 ASP B 19 ASP^? 1000.00 coo -21.16 62.58 121.86 -16.35 60.33 119.23 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo -23.22 55.98 120.74 -18.11 55.31 120.43 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo -17.15 59.71 133.33 -17.96 61.54 134.01 8.97 -39.53 -93.90 8.21 -39.80 -95.86 2dw7_c36 source 2dw7 BLL6730 PROTEIN : 8 hits 2dw7_c36 naa= 3 ULMN 3 2dw7_c37 BLL6730 PROTEIN user 1 3 # 1 F 182 LYS A 8 LYS^? 1000.00 F 184 LYS A 11 LYS.? 1000.00 F 345 ASP A 64 ASP^? 1000.00 coo 10.64 34.02 91.30 6.30 35.60 95.11 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 13.75 39.76 94.12 11.42 37.23 97.89 35.58 -20.94 -33.59 38.95 -22.16 -38.38 coo 16.35 26.90 99.56 16.81 25.90 97.75 29.43 -11.47 -24.77 28.22 -12.20 -26.29 ULMN 3 2dw7_c37 BLL6730 PROTEIN user 2 3 # 2 F 182 LYS A 8 LYS^? 1000.00 F 184 LYS A 23 LYS.? 1000.00 F 345 ASP A 4 ASP^? 1000.00 coo 10.64 34.02 91.30 6.30 35.60 95.11 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 13.75 39.76 94.12 11.42 37.23 97.89 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 16.35 26.90 99.56 16.81 25.90 97.75 19.46 -21.33 -18.77 18.88 -20.63 -16.86 ULMN 3 2dw7_c37 BLL6730 PROTEIN user 3 3 # 3 F 182 LYS A 23 LYS.? 1000.00 F 184 LYS A 8 LYS^? 1000.00 F 345 ASP A 4 ASP^? 1000.00 coo 10.64 34.02 91.30 6.30 35.60 95.11 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 13.75 39.76 94.12 11.42 37.23 97.89 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 16.35 26.90 99.56 16.81 25.90 97.75 19.46 -21.33 -18.77 18.88 -20.63 -16.86 ULMN 3 2dw7_c37 BLL6730 PROTEIN user 4 3 # 4 F 182 LYS A 23 LYS.? 1000.00 F 184 LYS A 8 LYS^? 1000.00 F 345 ASP A 19 ASP~? 1000.00 coo 10.64 34.02 91.30 6.30 35.60 95.11 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 13.75 39.76 94.12 11.42 37.23 97.89 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 16.35 26.90 99.56 16.81 25.90 97.75 29.74 -27.57 -15.65 30.35 -27.04 -13.70 ULMN 3 2dw7_c37 BLL6730 PROTEIN user 5 3 # 5 F 182 LYS B 8 LYS^? 1000.00 F 184 LYS B 11 LYS^? 1000.00 F 345 ASP B 64 ASP^? 1000.00 coo 10.64 34.02 91.30 6.30 35.60 95.11 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 13.75 39.76 94.12 11.42 37.23 97.89 0.33 -41.28 -75.95 -0.30 -44.81 -71.18 coo 16.35 26.90 99.56 16.81 25.90 97.75 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 ULMN 3 2dw7_c37 BLL6730 PROTEIN user 6 3 # 6 F 182 LYS B 8 LYS^? 1000.00 F 184 LYS B 23 LYS^? 1000.00 F 345 ASP B 4 ASP^? 1000.00 coo 10.64 34.02 91.30 6.30 35.60 95.11 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 13.75 39.76 94.12 11.42 37.23 97.89 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 16.35 26.90 99.56 16.81 25.90 97.75 8.72 -27.52 -90.78 8.40 -26.67 -92.69 ULMN 3 2dw7_c37 BLL6730 PROTEIN user 7 3 # 7 F 182 LYS B 23 LYS^? 1000.00 F 184 LYS B 8 LYS^? 1000.00 F 345 ASP B 4 ASP^? 1000.00 coo 10.64 34.02 91.30 6.30 35.60 95.11 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 13.75 39.76 94.12 11.42 37.23 97.89 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 16.35 26.90 99.56 16.81 25.90 97.75 8.72 -27.52 -90.78 8.40 -26.67 -92.69 ULMN 3 2dw7_c37 BLL6730 PROTEIN user 8 3 # 8 F 182 LYS B 23 LYS^? 1000.00 F 184 LYS B 8 LYS^? 1000.00 F 345 ASP B 19 ASP^? 1000.00 coo 10.64 34.02 91.30 6.30 35.60 95.11 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 13.75 39.76 94.12 11.42 37.23 97.89 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 16.35 26.90 99.56 16.81 25.90 97.75 8.97 -39.53 -93.90 8.21 -39.80 -95.86 2dw7_c37 source 2dw7 BLL6730 PROTEIN : 8 hits 2dw7_c37 naa= 3 ULMN 3 2dw7_c38 BLL6730 PROTEIN user 1 3 # 1 G 182 LYS A 8 LYS^? 1000.00 G 184 LYS A 11 LYS.? 1000.00 G 345 ASP A 64 ASP^? 1000.00 coo 39.68 42.04 76.11 43.42 46.43 74.96 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 36.69 47.69 78.93 39.38 50.40 75.35 35.58 -20.94 -33.59 38.95 -22.16 -38.38 coo 33.43 44.37 65.47 33.10 42.30 65.37 29.43 -11.47 -24.77 28.22 -12.20 -26.29 ULMN 3 2dw7_c38 BLL6730 PROTEIN user 2 3 # 2 G 182 LYS A 8 LYS^? 1000.00 G 184 LYS A 23 LYS.? 1000.00 G 345 ASP A 4 ASP^? 1000.00 coo 39.68 42.04 76.11 43.42 46.43 74.96 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 36.69 47.69 78.93 39.38 50.40 75.35 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 33.43 44.37 65.47 33.10 42.30 65.37 19.46 -21.33 -18.77 18.88 -20.63 -16.86 ULMN 3 2dw7_c38 BLL6730 PROTEIN user 3 3 # 3 G 182 LYS A 11 LYS.? 1000.00 G 184 LYS A 8 LYS^? 1000.00 G 345 ASP A 64 ASP^? 1000.00 coo 39.68 42.04 76.11 43.42 46.43 74.96 35.58 -20.94 -33.59 38.95 -22.16 -38.38 coo 36.69 47.69 78.93 39.38 50.40 75.35 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 33.43 44.37 65.47 33.10 42.30 65.37 29.43 -11.47 -24.77 28.22 -12.20 -26.29 ULMN 3 2dw7_c38 BLL6730 PROTEIN user 4 3 # 4 G 182 LYS A 23 LYS.? 1000.00 G 184 LYS A 8 LYS^? 1000.00 G 345 ASP A 4 ASP^? 1000.00 coo 39.68 42.04 76.11 43.42 46.43 74.96 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 36.69 47.69 78.93 39.38 50.40 75.35 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 33.43 44.37 65.47 33.10 42.30 65.37 19.46 -21.33 -18.77 18.88 -20.63 -16.86 ULMN 3 2dw7_c38 BLL6730 PROTEIN user 5 3 # 5 G 182 LYS A 23 LYS.? 1000.00 G 184 LYS A 8 LYS^? 1000.00 G 345 ASP A 19 ASP~? 1000.00 coo 39.68 42.04 76.11 43.42 46.43 74.96 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 36.69 47.69 78.93 39.38 50.40 75.35 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 33.43 44.37 65.47 33.10 42.30 65.37 29.74 -27.57 -15.65 30.35 -27.04 -13.70 ULMN 3 2dw7_c38 BLL6730 PROTEIN user 6 3 # 6 G 182 LYS B 8 LYS^? 1000.00 G 184 LYS B 11 LYS^? 1000.00 G 345 ASP B 64 ASP^? 1000.00 coo 39.68 42.04 76.11 43.42 46.43 74.96 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 36.69 47.69 78.93 39.38 50.40 75.35 0.33 -41.28 -75.95 -0.30 -44.81 -71.18 coo 33.43 44.37 65.47 33.10 42.30 65.37 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 ULMN 3 2dw7_c38 BLL6730 PROTEIN user 7 3 # 7 G 182 LYS B 8 LYS^? 1000.00 G 184 LYS B 23 LYS^? 1000.00 G 345 ASP B 4 ASP^? 1000.00 coo 39.68 42.04 76.11 43.42 46.43 74.96 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 36.69 47.69 78.93 39.38 50.40 75.35 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 33.43 44.37 65.47 33.10 42.30 65.37 8.72 -27.52 -90.78 8.40 -26.67 -92.69 ULMN 3 2dw7_c38 BLL6730 PROTEIN user 8 3 # 8 G 182 LYS B 11 LYS^? 1000.00 G 184 LYS B 8 LYS^? 1000.00 G 345 ASP B 64 ASP^? 1000.00 coo 39.68 42.04 76.11 43.42 46.43 74.96 0.33 -41.28 -75.95 -0.30 -44.81 -71.18 coo 36.69 47.69 78.93 39.38 50.40 75.35 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 33.43 44.37 65.47 33.10 42.30 65.37 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 ULMN 3 2dw7_c38 BLL6730 PROTEIN user 9 3 # 9 G 182 LYS B 23 LYS^? 1000.00 G 184 LYS B 8 LYS^? 1000.00 G 345 ASP B 4 ASP^? 1000.00 coo 39.68 42.04 76.11 43.42 46.43 74.96 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 36.69 47.69 78.93 39.38 50.40 75.35 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 33.43 44.37 65.47 33.10 42.30 65.37 8.72 -27.52 -90.78 8.40 -26.67 -92.69 ULMN 3 2dw7_c38 BLL6730 PROTEIN user 10 3 # 10 G 182 LYS B 23 LYS^? 1000.00 G 184 LYS B 8 LYS^? 1000.00 G 345 ASP B 19 ASP^? 1000.00 coo 39.68 42.04 76.11 43.42 46.43 74.96 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 36.69 47.69 78.93 39.38 50.40 75.35 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 33.43 44.37 65.47 33.10 42.30 65.37 8.97 -39.53 -93.90 8.21 -39.80 -95.86 2dw7_c38 source 2dw7 BLL6730 PROTEIN : 10 hits 2dw7_c38 naa= 3 ULMN 3 2dw7_c39 BLL6730 PROTEIN user 1 3 # 1 H 182 LYS A 8 LYS^? 1000.00 H 184 LYS A 11 LYS.? 1000.00 H 345 ASP A 64 ASP^? 1000.00 coo 71.58 83.18 80.51 66.88 79.77 79.84 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 73.65 78.64 75.66 68.14 79.07 75.04 35.58 -20.94 -33.59 38.95 -22.16 -38.38 coo 67.43 90.73 71.39 68.27 92.30 72.52 29.43 -11.47 -24.77 28.22 -12.20 -26.29 ULMN 3 2dw7_c39 BLL6730 PROTEIN user 2 3 # 2 H 182 LYS A 8 LYS^? 1000.00 H 184 LYS A 23 LYS.? 1000.00 H 345 ASP A 4 ASP^? 1000.00 coo 71.58 83.18 80.51 66.88 79.77 79.84 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 73.65 78.64 75.66 68.14 79.07 75.04 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 67.43 90.73 71.39 68.27 92.30 72.52 19.46 -21.33 -18.77 18.88 -20.63 -16.86 ULMN 3 2dw7_c39 BLL6730 PROTEIN user 3 3 # 3 H 182 LYS A 11 LYS.? 1000.00 H 184 LYS A 8 LYS^? 1000.00 H 345 ASP A 64 ASP^? 1000.00 coo 71.58 83.18 80.51 66.88 79.77 79.84 35.58 -20.94 -33.59 38.95 -22.16 -38.38 coo 73.65 78.64 75.66 68.14 79.07 75.04 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 67.43 90.73 71.39 68.27 92.30 72.52 29.43 -11.47 -24.77 28.22 -12.20 -26.29 ULMN 3 2dw7_c39 BLL6730 PROTEIN user 4 3 # 4 H 182 LYS A 23 LYS.? 1000.00 H 184 LYS A 8 LYS^? 1000.00 H 345 ASP A 4 ASP^? 1000.00 coo 71.58 83.18 80.51 66.88 79.77 79.84 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 73.65 78.64 75.66 68.14 79.07 75.04 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 67.43 90.73 71.39 68.27 92.30 72.52 19.46 -21.33 -18.77 18.88 -20.63 -16.86 ULMN 3 2dw7_c39 BLL6730 PROTEIN user 5 3 # 5 H 182 LYS A 23 LYS.? 1000.00 H 184 LYS A 8 LYS^? 1000.00 H 345 ASP A 19 ASP~? 1000.00 coo 71.58 83.18 80.51 66.88 79.77 79.84 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 73.65 78.64 75.66 68.14 79.07 75.04 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 67.43 90.73 71.39 68.27 92.30 72.52 29.74 -27.57 -15.65 30.35 -27.04 -13.70 ULMN 3 2dw7_c39 BLL6730 PROTEIN user 6 3 # 6 H 182 LYS B 8 LYS^? 1000.00 H 184 LYS B 11 LYS^? 1000.00 H 345 ASP B 64 ASP^? 1000.00 coo 71.58 83.18 80.51 66.88 79.77 79.84 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 73.65 78.64 75.66 68.14 79.07 75.04 0.33 -41.28 -75.95 -0.30 -44.81 -71.18 coo 67.43 90.73 71.39 68.27 92.30 72.52 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 ULMN 3 2dw7_c39 BLL6730 PROTEIN user 7 3 # 7 H 182 LYS B 8 LYS^? 1000.00 H 184 LYS B 23 LYS^? 1000.00 H 345 ASP B 4 ASP^? 1000.00 coo 71.58 83.18 80.51 66.88 79.77 79.84 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 73.65 78.64 75.66 68.14 79.07 75.04 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 67.43 90.73 71.39 68.27 92.30 72.52 8.72 -27.52 -90.78 8.40 -26.67 -92.69 ULMN 3 2dw7_c39 BLL6730 PROTEIN user 8 3 # 8 H 182 LYS B 11 LYS^? 1000.00 H 184 LYS B 8 LYS^? 1000.00 H 345 ASP B 64 ASP^? 1000.00 coo 71.58 83.18 80.51 66.88 79.77 79.84 0.33 -41.28 -75.95 -0.30 -44.81 -71.18 coo 73.65 78.64 75.66 68.14 79.07 75.04 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 67.43 90.73 71.39 68.27 92.30 72.52 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 ULMN 3 2dw7_c39 BLL6730 PROTEIN user 9 3 # 9 H 182 LYS B 23 LYS^? 1000.00 H 184 LYS B 8 LYS^? 1000.00 H 345 ASP B 4 ASP^? 1000.00 coo 71.58 83.18 80.51 66.88 79.77 79.84 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 73.65 78.64 75.66 68.14 79.07 75.04 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 67.43 90.73 71.39 68.27 92.30 72.52 8.72 -27.52 -90.78 8.40 -26.67 -92.69 ULMN 3 2dw7_c39 BLL6730 PROTEIN user 10 3 # 10 H 182 LYS B 23 LYS^? 1000.00 H 184 LYS B 8 LYS^? 1000.00 H 345 ASP B 19 ASP^? 1000.00 coo 71.58 83.18 80.51 66.88 79.77 79.84 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 73.65 78.64 75.66 68.14 79.07 75.04 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 67.43 90.73 71.39 68.27 92.30 72.52 8.97 -39.53 -93.90 8.21 -39.80 -95.86 2dw7_c39 source 2dw7 BLL6730 PROTEIN : 10 hits 2dw7_c39 naa= 3 ULMN 3 2dw7_c40 BLL6730 PROTEIN user 1 3 # 1 I 182 LYS A 8 LYS^? 1000.00 I 184 LYS A 11 LYS.? 1000.00 I 345 ASP A 64 ASP^? 1000.00 coo 60.20 96.92 42.53 57.60 93.13 38.67 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 54.31 95.46 46.01 55.34 91.59 42.65 35.58 -20.94 -33.59 38.95 -22.16 -38.38 coo 66.35 87.81 48.53 68.10 89.01 48.77 29.43 -11.47 -24.77 28.22 -12.20 -26.29 ULMN 3 2dw7_c40 BLL6730 PROTEIN user 2 3 # 2 I 182 LYS A 8 LYS^? 1000.00 I 184 LYS A 23 LYS.? 1000.00 I 345 ASP A 4 ASP^? 1000.00 coo 60.20 96.92 42.53 57.60 93.13 38.67 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 54.31 95.46 46.01 55.34 91.59 42.65 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 66.35 87.81 48.53 68.10 89.01 48.77 19.46 -21.33 -18.77 18.88 -20.63 -16.86 ULMN 3 2dw7_c40 BLL6730 PROTEIN user 3 3 # 3 I 182 LYS A 23 LYS.? 1000.00 I 184 LYS A 8 LYS^? 1000.00 I 345 ASP A 4 ASP^? 1000.00 coo 60.20 96.92 42.53 57.60 93.13 38.67 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 54.31 95.46 46.01 55.34 91.59 42.65 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 66.35 87.81 48.53 68.10 89.01 48.77 19.46 -21.33 -18.77 18.88 -20.63 -16.86 ULMN 3 2dw7_c40 BLL6730 PROTEIN user 4 3 # 4 I 182 LYS A 23 LYS.? 1000.00 I 184 LYS A 8 LYS^? 1000.00 I 345 ASP A 19 ASP~? 1000.00 coo 60.20 96.92 42.53 57.60 93.13 38.67 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 54.31 95.46 46.01 55.34 91.59 42.65 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 66.35 87.81 48.53 68.10 89.01 48.77 29.74 -27.57 -15.65 30.35 -27.04 -13.70 ULMN 3 2dw7_c40 BLL6730 PROTEIN user 5 3 # 5 I 182 LYS B 8 LYS^? 1000.00 I 184 LYS B 11 LYS^? 1000.00 I 345 ASP B 64 ASP^? 1000.00 coo 60.20 96.92 42.53 57.60 93.13 38.67 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 54.31 95.46 46.01 55.34 91.59 42.65 0.33 -41.28 -75.95 -0.30 -44.81 -71.18 coo 66.35 87.81 48.53 68.10 89.01 48.77 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 ULMN 3 2dw7_c40 BLL6730 PROTEIN user 6 3 # 6 I 182 LYS B 8 LYS^? 1000.00 I 184 LYS B 23 LYS^? 1000.00 I 345 ASP B 4 ASP^? 1000.00 coo 60.20 96.92 42.53 57.60 93.13 38.67 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 54.31 95.46 46.01 55.34 91.59 42.65 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 66.35 87.81 48.53 68.10 89.01 48.77 8.72 -27.52 -90.78 8.40 -26.67 -92.69 ULMN 3 2dw7_c40 BLL6730 PROTEIN user 7 3 # 7 I 182 LYS B 23 LYS^? 1000.00 I 184 LYS B 8 LYS^? 1000.00 I 345 ASP B 4 ASP^? 1000.00 coo 60.20 96.92 42.53 57.60 93.13 38.67 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 54.31 95.46 46.01 55.34 91.59 42.65 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 66.35 87.81 48.53 68.10 89.01 48.77 8.72 -27.52 -90.78 8.40 -26.67 -92.69 ULMN 3 2dw7_c40 BLL6730 PROTEIN user 8 3 # 8 I 182 LYS B 23 LYS^? 1000.00 I 184 LYS B 8 LYS^? 1000.00 I 345 ASP B 19 ASP^? 1000.00 coo 60.20 96.92 42.53 57.60 93.13 38.67 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 54.31 95.46 46.01 55.34 91.59 42.65 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 66.35 87.81 48.53 68.10 89.01 48.77 8.97 -39.53 -93.90 8.21 -39.80 -95.86 2dw7_c40 source 2dw7 BLL6730 PROTEIN : 8 hits 2dw7_c40 naa= 3 ULMN 3 2dw7_c41 BLL6730 PROTEIN user 1 3 # 1 J 182 LYS A 8 LYS^? 1000.00 J 184 LYS A 11 LYS.? 1000.00 J 345 ASP A 64 ASP^? 1000.00 coo 25.22 70.55 14.03 27.64 73.07 18.65 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 31.73 69.87 11.50 32.73 70.19 16.40 35.58 -20.94 -33.59 38.95 -22.16 -38.38 coo 25.87 58.42 18.79 23.95 58.54 17.90 29.43 -11.47 -24.77 28.22 -12.20 -26.29 ULMN 3 2dw7_c41 BLL6730 PROTEIN user 2 3 # 2 J 182 LYS A 8 LYS^? 1000.00 J 184 LYS A 23 LYS.? 1000.00 J 345 ASP A 4 ASP^? 1000.00 coo 25.22 70.55 14.03 27.64 73.07 18.65 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 31.73 69.87 11.50 32.73 70.19 16.40 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 25.87 58.42 18.79 23.95 58.54 17.90 19.46 -21.33 -18.77 18.88 -20.63 -16.86 ULMN 3 2dw7_c41 BLL6730 PROTEIN user 3 3 # 3 J 182 LYS A 23 LYS.? 1000.00 J 184 LYS A 8 LYS^? 1000.00 J 345 ASP A 4 ASP^? 1000.00 coo 25.22 70.55 14.03 27.64 73.07 18.65 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 31.73 69.87 11.50 32.73 70.19 16.40 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 25.87 58.42 18.79 23.95 58.54 17.90 19.46 -21.33 -18.77 18.88 -20.63 -16.86 ULMN 3 2dw7_c41 BLL6730 PROTEIN user 4 3 # 4 J 182 LYS A 23 LYS.? 1000.00 J 184 LYS A 8 LYS^? 1000.00 J 345 ASP A 19 ASP~? 1000.00 coo 25.22 70.55 14.03 27.64 73.07 18.65 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 31.73 69.87 11.50 32.73 70.19 16.40 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 25.87 58.42 18.79 23.95 58.54 17.90 29.74 -27.57 -15.65 30.35 -27.04 -13.70 ULMN 3 2dw7_c41 BLL6730 PROTEIN user 5 3 # 5 J 182 LYS B 8 LYS^? 1000.00 J 184 LYS B 11 LYS^? 1000.00 J 345 ASP B 64 ASP^? 1000.00 coo 25.22 70.55 14.03 27.64 73.07 18.65 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 31.73 69.87 11.50 32.73 70.19 16.40 0.33 -41.28 -75.95 -0.30 -44.81 -71.18 coo 25.87 58.42 18.79 23.95 58.54 17.90 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 ULMN 3 2dw7_c41 BLL6730 PROTEIN user 6 3 # 6 J 182 LYS B 8 LYS^? 1000.00 J 184 LYS B 23 LYS^? 1000.00 J 345 ASP B 4 ASP^? 1000.00 coo 25.22 70.55 14.03 27.64 73.07 18.65 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 31.73 69.87 11.50 32.73 70.19 16.40 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 25.87 58.42 18.79 23.95 58.54 17.90 8.72 -27.52 -90.78 8.40 -26.67 -92.69 ULMN 3 2dw7_c41 BLL6730 PROTEIN user 7 3 # 7 J 182 LYS B 23 LYS^? 1000.00 J 184 LYS B 8 LYS^? 1000.00 J 345 ASP B 4 ASP^? 1000.00 coo 25.22 70.55 14.03 27.64 73.07 18.65 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 31.73 69.87 11.50 32.73 70.19 16.40 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 25.87 58.42 18.79 23.95 58.54 17.90 8.72 -27.52 -90.78 8.40 -26.67 -92.69 ULMN 3 2dw7_c41 BLL6730 PROTEIN user 8 3 # 8 J 182 LYS B 23 LYS^? 1000.00 J 184 LYS B 8 LYS^? 1000.00 J 345 ASP B 19 ASP^? 1000.00 coo 25.22 70.55 14.03 27.64 73.07 18.65 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 31.73 69.87 11.50 32.73 70.19 16.40 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 25.87 58.42 18.79 23.95 58.54 17.90 8.97 -39.53 -93.90 8.21 -39.80 -95.86 2dw7_c41 source 2dw7 BLL6730 PROTEIN : 8 hits 2dw7_c41 naa= 3 ULMN 3 2dw7_c42 BLL6730 PROTEIN user 1 3 # 1 K 182 LYS A 8 LYS^? 1000.00 K 184 LYS A 11 LYS.? 1000.00 K 345 ASP A 64 ASP^? 1000.00 coo 51.91 50.98 -7.18 47.83 49.38 -11.15 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 54.95 45.24 -9.88 51.94 46.65 -13.66 35.58 -20.94 -33.59 38.95 -22.16 -38.38 coo 58.09 58.36 -15.39 58.48 59.93 -14.05 29.43 -11.47 -24.77 28.22 -12.20 -26.29 ULMN 3 2dw7_c42 BLL6730 PROTEIN user 2 3 # 2 K 182 LYS A 8 LYS^? 1000.00 K 184 LYS A 23 LYS.? 1000.00 K 345 ASP A 4 ASP^? 1000.00 coo 51.91 50.98 -7.18 47.83 49.38 -11.15 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 54.95 45.24 -9.88 51.94 46.65 -13.66 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 58.09 58.36 -15.39 58.48 59.93 -14.05 19.46 -21.33 -18.77 18.88 -20.63 -16.86 ULMN 3 2dw7_c42 BLL6730 PROTEIN user 3 3 # 3 K 182 LYS A 23 LYS.? 1000.00 K 184 LYS A 8 LYS^? 1000.00 K 345 ASP A 4 ASP^? 1000.00 coo 51.91 50.98 -7.18 47.83 49.38 -11.15 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 54.95 45.24 -9.88 51.94 46.65 -13.66 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 58.09 58.36 -15.39 58.48 59.93 -14.05 19.46 -21.33 -18.77 18.88 -20.63 -16.86 ULMN 3 2dw7_c42 BLL6730 PROTEIN user 4 3 # 4 K 182 LYS A 23 LYS.? 1000.00 K 184 LYS A 8 LYS^? 1000.00 K 345 ASP A 19 ASP~? 1000.00 coo 51.91 50.98 -7.18 47.83 49.38 -11.15 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 54.95 45.24 -9.88 51.94 46.65 -13.66 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 58.09 58.36 -15.39 58.48 59.93 -14.05 29.74 -27.57 -15.65 30.35 -27.04 -13.70 ULMN 3 2dw7_c42 BLL6730 PROTEIN user 5 3 # 5 K 182 LYS B 8 LYS^? 1000.00 K 184 LYS B 11 LYS^? 1000.00 K 345 ASP B 64 ASP^? 1000.00 coo 51.91 50.98 -7.18 47.83 49.38 -11.15 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 54.95 45.24 -9.88 51.94 46.65 -13.66 0.33 -41.28 -75.95 -0.30 -44.81 -71.18 coo 58.09 58.36 -15.39 58.48 59.93 -14.05 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 ULMN 3 2dw7_c42 BLL6730 PROTEIN user 6 3 # 6 K 182 LYS B 8 LYS^? 1000.00 K 184 LYS B 23 LYS^? 1000.00 K 345 ASP B 4 ASP^? 1000.00 coo 51.91 50.98 -7.18 47.83 49.38 -11.15 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 54.95 45.24 -9.88 51.94 46.65 -13.66 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 58.09 58.36 -15.39 58.48 59.93 -14.05 8.72 -27.52 -90.78 8.40 -26.67 -92.69 ULMN 3 2dw7_c42 BLL6730 PROTEIN user 7 3 # 7 K 182 LYS B 23 LYS^? 1000.00 K 184 LYS B 8 LYS^? 1000.00 K 345 ASP B 4 ASP^? 1000.00 coo 51.91 50.98 -7.18 47.83 49.38 -11.15 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 54.95 45.24 -9.88 51.94 46.65 -13.66 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 58.09 58.36 -15.39 58.48 59.93 -14.05 8.72 -27.52 -90.78 8.40 -26.67 -92.69 ULMN 3 2dw7_c42 BLL6730 PROTEIN user 8 3 # 8 K 182 LYS B 23 LYS^? 1000.00 K 184 LYS B 8 LYS^? 1000.00 K 345 ASP B 19 ASP^? 1000.00 coo 51.91 50.98 -7.18 47.83 49.38 -11.15 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 54.95 45.24 -9.88 51.94 46.65 -13.66 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 58.09 58.36 -15.39 58.48 59.93 -14.05 8.97 -39.53 -93.90 8.21 -39.80 -95.86 2dw7_c42 source 2dw7 BLL6730 PROTEIN : 8 hits 2dw7_c42 naa= 3 ULMN 3 2dw7_c43 BLL6730 PROTEIN user 1 3 # 1 L 182 LYS A 8 LYS^? 1000.00 L 184 LYS A 11 LYS.? 1000.00 L 345 ASP A 64 ASP^? 1000.00 coo 20.72 21.86 -37.85 25.46 24.17 -34.95 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 18.47 28.51 -37.00 23.90 28.36 -37.29 35.58 -20.94 -33.59 38.95 -22.16 -38.38 coo 25.62 23.75 -50.41 24.07 23.21 -49.03 29.43 -11.47 -24.77 28.22 -12.20 -26.29 ULMN 3 2dw7_c43 BLL6730 PROTEIN user 2 3 # 2 L 182 LYS A 8 LYS^? 1000.00 L 184 LYS A 23 LYS.? 1000.00 L 345 ASP A 4 ASP^? 1000.00 coo 20.72 21.86 -37.85 25.46 24.17 -34.95 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 18.47 28.51 -37.00 23.90 28.36 -37.29 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 25.62 23.75 -50.41 24.07 23.21 -49.03 19.46 -21.33 -18.77 18.88 -20.63 -16.86 ULMN 3 2dw7_c43 BLL6730 PROTEIN user 3 3 # 3 L 182 LYS A 23 LYS.? 1000.00 L 184 LYS A 8 LYS^? 1000.00 L 345 ASP A 4 ASP^? 1000.00 coo 20.72 21.86 -37.85 25.46 24.17 -34.95 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 18.47 28.51 -37.00 23.90 28.36 -37.29 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 25.62 23.75 -50.41 24.07 23.21 -49.03 19.46 -21.33 -18.77 18.88 -20.63 -16.86 ULMN 3 2dw7_c43 BLL6730 PROTEIN user 4 3 # 4 L 182 LYS B 8 LYS^? 1000.00 L 184 LYS B 11 LYS^? 1000.00 L 345 ASP B 64 ASP^? 1000.00 coo 20.72 21.86 -37.85 25.46 24.17 -34.95 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 18.47 28.51 -37.00 23.90 28.36 -37.29 0.33 -41.28 -75.95 -0.30 -44.81 -71.18 coo 25.62 23.75 -50.41 24.07 23.21 -49.03 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 ULMN 3 2dw7_c43 BLL6730 PROTEIN user 5 3 # 5 L 182 LYS B 8 LYS^? 1000.00 L 184 LYS B 23 LYS^? 1000.00 L 345 ASP B 4 ASP^? 1000.00 coo 20.72 21.86 -37.85 25.46 24.17 -34.95 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 18.47 28.51 -37.00 23.90 28.36 -37.29 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 25.62 23.75 -50.41 24.07 23.21 -49.03 8.72 -27.52 -90.78 8.40 -26.67 -92.69 ULMN 3 2dw7_c43 BLL6730 PROTEIN user 6 3 # 6 L 182 LYS B 23 LYS^? 1000.00 L 184 LYS B 8 LYS^? 1000.00 L 345 ASP B 4 ASP^? 1000.00 coo 20.72 21.86 -37.85 25.46 24.17 -34.95 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 18.47 28.51 -37.00 23.90 28.36 -37.29 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 25.62 23.75 -50.41 24.07 23.21 -49.03 8.72 -27.52 -90.78 8.40 -26.67 -92.69 2dw7_c43 source 2dw7 BLL6730 PROTEIN : 6 hits 2dw7_c43 naa= 3 ULMN 3 2dw7_c44 BLL6730 PROTEIN user 1 3 # 1 M 182 LYS A 8 LYS^? 1000.00 M 184 LYS A 11 LYS.? 1000.00 M 345 ASP A 64 ASP^? 1000.00 coo -16.84 -32.78 53.48 -13.51 -32.22 58.34 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo -11.12 -36.54 51.97 -12.06 -36.49 56.95 35.58 -20.94 -33.59 38.95 -22.16 -38.38 coo -23.86 -43.59 58.54 -23.60 -42.14 57.00 29.43 -11.47 -24.77 28.22 -12.20 -26.29 ULMN 3 2dw7_c44 BLL6730 PROTEIN user 2 3 # 2 M 182 LYS A 8 LYS^? 1000.00 M 184 LYS A 23 LYS.? 1000.00 M 345 ASP A 4 ASP^? 1000.00 coo -16.84 -32.78 53.48 -13.51 -32.22 58.34 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo -11.12 -36.54 51.97 -12.06 -36.49 56.95 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo -23.86 -43.59 58.54 -23.60 -42.14 57.00 19.46 -21.33 -18.77 18.88 -20.63 -16.86 ULMN 3 2dw7_c44 BLL6730 PROTEIN user 3 3 # 3 M 182 LYS B 8 LYS^? 1000.00 M 184 LYS B 11 LYS^? 1000.00 M 345 ASP B 64 ASP^? 1000.00 coo -16.84 -32.78 53.48 -13.51 -32.22 58.34 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo -11.12 -36.54 51.97 -12.06 -36.49 56.95 0.33 -41.28 -75.95 -0.30 -44.81 -71.18 coo -23.86 -43.59 58.54 -23.60 -42.14 57.00 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 ULMN 3 2dw7_c44 BLL6730 PROTEIN user 4 3 # 4 M 182 LYS B 8 LYS^? 1000.00 M 184 LYS B 23 LYS^? 1000.00 M 345 ASP B 4 ASP^? 1000.00 coo -16.84 -32.78 53.48 -13.51 -32.22 58.34 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo -11.12 -36.54 51.97 -12.06 -36.49 56.95 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo -23.86 -43.59 58.54 -23.60 -42.14 57.00 8.72 -27.52 -90.78 8.40 -26.67 -92.69 2dw7_c44 source 2dw7 BLL6730 PROTEIN : 4 hits 2dw7_c44 naa= 3 ULMN 3 2dw7_c45 BLL6730 PROTEIN user 1 3 # 1 N 182 LYS A 8 LYS^? 1000.00 N 184 LYS A 11 LYS.? 1000.00 N 345 ASP A 64 ASP^? 1000.00 coo 22.75 -28.13 87.31 18.89 -29.87 83.00 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 16.58 -26.28 90.12 15.40 -29.80 86.61 35.58 -20.94 -33.59 38.95 -22.16 -38.38 coo 22.32 -38.59 93.74 24.34 -38.41 94.32 29.43 -11.47 -24.77 28.22 -12.20 -26.29 ULMN 3 2dw7_c45 BLL6730 PROTEIN user 2 3 # 2 N 182 LYS A 8 LYS^? 1000.00 N 184 LYS A 23 LYS.? 1000.00 N 345 ASP A 4 ASP^? 1000.00 coo 22.75 -28.13 87.31 18.89 -29.87 83.00 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 16.58 -26.28 90.12 15.40 -29.80 86.61 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 22.32 -38.59 93.74 24.34 -38.41 94.32 19.46 -21.33 -18.77 18.88 -20.63 -16.86 ULMN 3 2dw7_c45 BLL6730 PROTEIN user 3 3 # 3 N 182 LYS A 23 LYS.? 1000.00 N 184 LYS A 8 LYS^? 1000.00 N 345 ASP A 4 ASP^? 1000.00 coo 22.75 -28.13 87.31 18.89 -29.87 83.00 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 16.58 -26.28 90.12 15.40 -29.80 86.61 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 22.32 -38.59 93.74 24.34 -38.41 94.32 19.46 -21.33 -18.77 18.88 -20.63 -16.86 ULMN 3 2dw7_c45 BLL6730 PROTEIN user 4 3 # 4 N 182 LYS A 23 LYS.? 1000.00 N 184 LYS A 8 LYS^? 1000.00 N 345 ASP A 19 ASP~? 1000.00 coo 22.75 -28.13 87.31 18.89 -29.87 83.00 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 16.58 -26.28 90.12 15.40 -29.80 86.61 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 22.32 -38.59 93.74 24.34 -38.41 94.32 29.74 -27.57 -15.65 30.35 -27.04 -13.70 ULMN 3 2dw7_c45 BLL6730 PROTEIN user 5 3 # 5 N 182 LYS B 8 LYS^? 1000.00 N 184 LYS B 11 LYS^? 1000.00 N 345 ASP B 64 ASP^? 1000.00 coo 22.75 -28.13 87.31 18.89 -29.87 83.00 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 16.58 -26.28 90.12 15.40 -29.80 86.61 0.33 -41.28 -75.95 -0.30 -44.81 -71.18 coo 22.32 -38.59 93.74 24.34 -38.41 94.32 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 ULMN 3 2dw7_c45 BLL6730 PROTEIN user 6 3 # 6 N 182 LYS B 8 LYS^? 1000.00 N 184 LYS B 23 LYS^? 1000.00 N 345 ASP B 4 ASP^? 1000.00 coo 22.75 -28.13 87.31 18.89 -29.87 83.00 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 16.58 -26.28 90.12 15.40 -29.80 86.61 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 22.32 -38.59 93.74 24.34 -38.41 94.32 8.72 -27.52 -90.78 8.40 -26.67 -92.69 ULMN 3 2dw7_c45 BLL6730 PROTEIN user 7 3 # 7 N 182 LYS B 23 LYS^? 1000.00 N 184 LYS B 8 LYS^? 1000.00 N 345 ASP B 4 ASP^? 1000.00 coo 22.75 -28.13 87.31 18.89 -29.87 83.00 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 16.58 -26.28 90.12 15.40 -29.80 86.61 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 22.32 -38.59 93.74 24.34 -38.41 94.32 8.72 -27.52 -90.78 8.40 -26.67 -92.69 ULMN 3 2dw7_c45 BLL6730 PROTEIN user 8 3 # 8 N 182 LYS B 23 LYS^? 1000.00 N 184 LYS B 8 LYS^? 1000.00 N 345 ASP B 19 ASP^? 1000.00 coo 22.75 -28.13 87.31 18.89 -29.87 83.00 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 16.58 -26.28 90.12 15.40 -29.80 86.61 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 22.32 -38.59 93.74 24.34 -38.41 94.32 8.97 -39.53 -93.90 8.21 -39.80 -95.86 2dw7_c45 source 2dw7 BLL6730 PROTEIN : 8 hits 2dw7_c45 naa= 3 ULMN 3 2dw7_c46 BLL6730 PROTEIN user 1 3 # 1 O 182 LYS A 8 LYS^? 1000.00 O 184 LYS A 11 LYS.? 1000.00 O 345 ASP A 64 ASP^? 1000.00 coo 54.57 -51.89 -4.22 51.14 -49.62 0.15 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 48.40 -53.90 -6.78 48.57 -49.84 -4.13 35.58 -20.94 -33.59 38.95 -22.16 -38.38 coo 54.15 -41.12 -10.77 56.24 -41.47 -10.94 29.43 -11.47 -24.77 28.22 -12.20 -26.29 ULMN 3 2dw7_c46 BLL6730 PROTEIN user 2 3 # 2 O 182 LYS A 8 LYS^? 1000.00 O 184 LYS A 23 LYS.? 1000.00 O 345 ASP A 4 ASP^? 1000.00 coo 54.57 -51.89 -4.22 51.14 -49.62 0.15 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 48.40 -53.90 -6.78 48.57 -49.84 -4.13 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 54.15 -41.12 -10.77 56.24 -41.47 -10.94 19.46 -21.33 -18.77 18.88 -20.63 -16.86 ULMN 3 2dw7_c46 BLL6730 PROTEIN user 3 3 # 3 O 182 LYS A 23 LYS.? 1000.00 O 184 LYS A 8 LYS^? 1000.00 O 345 ASP A 4 ASP^? 1000.00 coo 54.57 -51.89 -4.22 51.14 -49.62 0.15 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 48.40 -53.90 -6.78 48.57 -49.84 -4.13 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 54.15 -41.12 -10.77 56.24 -41.47 -10.94 19.46 -21.33 -18.77 18.88 -20.63 -16.86 ULMN 3 2dw7_c46 BLL6730 PROTEIN user 4 3 # 4 O 182 LYS A 23 LYS.? 1000.00 O 184 LYS A 8 LYS^? 1000.00 O 345 ASP A 19 ASP~? 1000.00 coo 54.57 -51.89 -4.22 51.14 -49.62 0.15 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 48.40 -53.90 -6.78 48.57 -49.84 -4.13 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 54.15 -41.12 -10.77 56.24 -41.47 -10.94 29.74 -27.57 -15.65 30.35 -27.04 -13.70 ULMN 3 2dw7_c46 BLL6730 PROTEIN user 5 3 # 5 O 182 LYS B 8 LYS^? 1000.00 O 184 LYS B 11 LYS^? 1000.00 O 345 ASP B 64 ASP^? 1000.00 coo 54.57 -51.89 -4.22 51.14 -49.62 0.15 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 48.40 -53.90 -6.78 48.57 -49.84 -4.13 0.33 -41.28 -75.95 -0.30 -44.81 -71.18 coo 54.15 -41.12 -10.77 56.24 -41.47 -10.94 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 ULMN 3 2dw7_c46 BLL6730 PROTEIN user 6 3 # 6 O 182 LYS B 8 LYS^? 1000.00 O 184 LYS B 23 LYS^? 1000.00 O 345 ASP B 4 ASP^? 1000.00 coo 54.57 -51.89 -4.22 51.14 -49.62 0.15 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 48.40 -53.90 -6.78 48.57 -49.84 -4.13 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 54.15 -41.12 -10.77 56.24 -41.47 -10.94 8.72 -27.52 -90.78 8.40 -26.67 -92.69 ULMN 3 2dw7_c46 BLL6730 PROTEIN user 7 3 # 7 O 182 LYS B 23 LYS^? 1000.00 O 184 LYS B 8 LYS^? 1000.00 O 345 ASP B 4 ASP^? 1000.00 coo 54.57 -51.89 -4.22 51.14 -49.62 0.15 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 48.40 -53.90 -6.78 48.57 -49.84 -4.13 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 54.15 -41.12 -10.77 56.24 -41.47 -10.94 8.72 -27.52 -90.78 8.40 -26.67 -92.69 ULMN 3 2dw7_c46 BLL6730 PROTEIN user 8 3 # 8 O 182 LYS B 23 LYS^? 1000.00 O 184 LYS B 8 LYS^? 1000.00 O 345 ASP B 19 ASP^? 1000.00 coo 54.57 -51.89 -4.22 51.14 -49.62 0.15 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 48.40 -53.90 -6.78 48.57 -49.84 -4.13 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 54.15 -41.12 -10.77 56.24 -41.47 -10.94 8.97 -39.53 -93.90 8.21 -39.80 -95.86 2dw7_c46 source 2dw7 BLL6730 PROTEIN : 8 hits 2dw7_c46 naa= 3 ULMN 3 2dw7_c47 BLL6730 PROTEIN user 1 3 # 1 P 182 LYS A 8 LYS^? 1000.00 P 184 LYS A 11 LYS.? 1000.00 P 345 ASP A 64 ASP^? 1000.00 coo 14.97 -47.15 29.92 18.26 -47.80 24.89 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 20.57 -43.13 31.26 20.62 -43.22 26.05 35.58 -20.94 -33.59 38.95 -22.16 -38.38 coo 7.60 -36.55 24.79 7.77 -37.99 26.35 29.43 -11.47 -24.77 28.22 -12.20 -26.29 ULMN 3 2dw7_c47 BLL6730 PROTEIN user 2 3 # 2 P 182 LYS A 8 LYS^? 1000.00 P 184 LYS A 23 LYS.? 1000.00 P 345 ASP A 4 ASP^? 1000.00 coo 14.97 -47.15 29.92 18.26 -47.80 24.89 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 20.57 -43.13 31.26 20.62 -43.22 26.05 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 7.60 -36.55 24.79 7.77 -37.99 26.35 19.46 -21.33 -18.77 18.88 -20.63 -16.86 ULMN 3 2dw7_c47 BLL6730 PROTEIN user 3 3 # 3 P 182 LYS A 23 LYS.? 1000.00 P 184 LYS A 8 LYS^? 1000.00 P 345 ASP A 4 ASP^? 1000.00 coo 14.97 -47.15 29.92 18.26 -47.80 24.89 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 20.57 -43.13 31.26 20.62 -43.22 26.05 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 7.60 -36.55 24.79 7.77 -37.99 26.35 19.46 -21.33 -18.77 18.88 -20.63 -16.86 ULMN 3 2dw7_c47 BLL6730 PROTEIN user 4 3 # 4 P 182 LYS B 8 LYS^? 1000.00 P 184 LYS B 11 LYS^? 1000.00 P 345 ASP B 64 ASP^? 1000.00 coo 14.97 -47.15 29.92 18.26 -47.80 24.89 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 20.57 -43.13 31.26 20.62 -43.22 26.05 0.33 -41.28 -75.95 -0.30 -44.81 -71.18 coo 7.60 -36.55 24.79 7.77 -37.99 26.35 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 ULMN 3 2dw7_c47 BLL6730 PROTEIN user 5 3 # 5 P 182 LYS B 8 LYS^? 1000.00 P 184 LYS B 23 LYS^? 1000.00 P 345 ASP B 4 ASP^? 1000.00 coo 14.97 -47.15 29.92 18.26 -47.80 24.89 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 20.57 -43.13 31.26 20.62 -43.22 26.05 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 7.60 -36.55 24.79 7.77 -37.99 26.35 8.72 -27.52 -90.78 8.40 -26.67 -92.69 ULMN 3 2dw7_c47 BLL6730 PROTEIN user 6 3 # 6 P 182 LYS B 23 LYS^? 1000.00 P 184 LYS B 8 LYS^? 1000.00 P 345 ASP B 4 ASP^? 1000.00 coo 14.97 -47.15 29.92 18.26 -47.80 24.89 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 20.57 -43.13 31.26 20.62 -43.22 26.05 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 7.60 -36.55 24.79 7.77 -37.99 26.35 8.72 -27.52 -90.78 8.40 -26.67 -92.69 2dw7_c47 source 2dw7 BLL6730 PROTEIN : 6 hits 2dw7_c47 naa= 3 ULMN 3 2f61_c00 ACID BETA-GLUCOSIDASE user 1 3 # 1 A 235 GLU A 26 GLU^? 1000.00 A 340 GLU A 15 GLU.? 1000.00 A 342 CYH A 65 CYH^? 1000.00 coo 13.45 37.14 -1.68 12.32 37.89 -3.28 25.58 -17.25 -21.04 25.74 -16.50 -19.06 coo 14.96 43.86 -2.28 14.91 42.15 -3.51 31.83 -13.52 -21.46 31.81 -11.49 -22.03 coo 11.37 47.97 -4.08 11.06 45.43 -5.26 33.16 -11.23 -26.53 33.12 -13.74 -25.43 ULMN 3 2f61_c00 ACID BETA-GLUCOSIDASE user 2 3 # 2 A 235 GLU A 84 GLU^? 1000.00 A 340 GLU A 86 GLU^? 1000.00 A 342 CYH A 98 CYH^? 1000.00 coo 13.45 37.14 -1.68 12.32 37.89 -3.28 25.54 -27.52 -32.09 27.26 -28.36 -31.17 coo 14.96 43.86 -2.28 14.91 42.15 -3.51 21.78 -27.43 -25.47 23.65 -28.43 -25.48 coo 11.37 47.97 -4.08 11.06 45.43 -5.26 15.72 -29.14 -26.53 14.42 -27.53 -28.35 ULMN 3 2f61_c00 ACID BETA-GLUCOSIDASE user 3 3 # 3 A 235 GLU A 153 GLU^? 1000.00 A 340 GLU A 136 GLU^? 1000.00 A 342 CYH A 98 CYH^? 1000.00 coo 13.45 37.14 -1.68 12.32 37.89 -3.28 12.49 -36.75 -36.83 10.58 -37.13 -36.03 coo 14.96 43.86 -2.28 14.91 42.15 -3.51 17.75 -33.88 -31.63 19.76 -34.22 -31.08 coo 11.37 47.97 -4.08 11.06 45.43 -5.26 15.72 -29.14 -26.53 14.42 -27.53 -28.35 ULMN 3 2f61_c00 ACID BETA-GLUCOSIDASE user 4 3 # 4 A 235 GLU B 26 GLU^? 1000.00 A 340 GLU B 15 GLU^? 1000.00 A 342 CYH B 65 CYH^? 1000.00 coo 13.45 37.14 -1.68 12.32 37.89 -3.28 2.14 -30.76 -88.51 1.40 -30.52 -90.48 coo 14.96 43.86 -2.28 14.91 42.15 -3.51 -4.24 -34.31 -88.08 -5.97 -33.27 -87.50 coo 11.37 47.97 -4.08 11.06 45.43 -5.26 -6.88 -34.31 -83.01 -4.68 -35.50 -84.10 ULMN 3 2f61_c00 ACID BETA-GLUCOSIDASE user 5 3 # 5 A 235 GLU B 84 GLU^? 1000.00 A 340 GLU B 86 GLU^? 1000.00 A 342 CYH B 98 CYH^? 1000.00 coo 13.45 37.14 -1.68 12.32 37.89 -3.28 11.05 -35.89 -77.46 10.93 -37.79 -78.39 coo 14.96 43.86 -2.28 14.91 42.15 -3.51 12.86 -32.58 -84.08 12.77 -34.69 -84.08 coo 11.37 47.97 -4.08 11.06 45.43 -5.26 17.36 -28.18 -83.02 16.63 -26.25 -81.22 ULMN 3 2f61_c00 ACID BETA-GLUCOSIDASE user 6 3 # 6 A 235 GLU B 153 GLU^? 1000.00 A 340 GLU B 136 GLU^? 1000.00 A 342 CYH B 98 CYH^? 1000.00 coo 13.45 37.14 -1.68 12.32 37.89 -3.28 25.57 -29.21 -72.73 26.88 -27.75 -73.52 coo 14.96 43.86 -2.28 14.91 42.15 -3.51 20.45 -32.33 -77.94 19.74 -34.24 -78.49 coo 11.37 47.97 -4.08 11.06 45.43 -5.26 17.36 -28.18 -83.02 16.63 -26.25 -81.22 2f61_c00 source 2f61 ACID BETA-GLUCOSIDASE : 6 hits 2f61_c00 naa= 3 ULMN 3 2f61_c01 ACID BETA-GLUCOSIDASE user 1 3 # 1 B 235 GLU A 26 GLU^? 1000.00 B 340 GLU A 15 GLU.? 1000.00 B 342 CYH A 65 CYH^? 1000.00 coo 41.63 98.81 4.74 43.45 99.80 5.19 25.58 -17.25 -21.04 25.74 -16.50 -19.06 coo 40.49 105.59 6.14 40.82 103.64 6.89 31.83 -13.52 -21.46 31.81 -11.49 -22.03 coo 45.58 109.64 7.60 45.90 106.93 8.23 33.16 -11.23 -26.53 33.12 -13.74 -25.43 ULMN 3 2f61_c01 ACID BETA-GLUCOSIDASE user 2 3 # 2 B 235 GLU A 84 GLU^? 1000.00 B 340 GLU A 86 GLU^? 1000.00 B 342 CYH A 88 CYH^? 1000.00 coo 41.63 98.81 4.74 43.45 99.80 5.19 25.54 -27.52 -32.09 27.26 -28.36 -31.17 coo 40.49 105.59 6.14 40.82 103.64 6.89 21.78 -27.43 -25.47 23.65 -28.43 -25.48 coo 45.58 109.64 7.60 45.90 106.93 8.23 18.68 -26.29 -20.51 21.30 -26.44 -21.57 ULMN 3 2f61_c01 ACID BETA-GLUCOSIDASE user 3 3 # 3 B 235 GLU A 84 GLU^? 1000.00 B 340 GLU A 86 GLU^? 1000.00 B 342 CYH A 98 CYH^? 1000.00 coo 41.63 98.81 4.74 43.45 99.80 5.19 25.54 -27.52 -32.09 27.26 -28.36 -31.17 coo 40.49 105.59 6.14 40.82 103.64 6.89 21.78 -27.43 -25.47 23.65 -28.43 -25.48 coo 45.58 109.64 7.60 45.90 106.93 8.23 15.72 -29.14 -26.53 14.42 -27.53 -28.35 ULMN 3 2f61_c01 ACID BETA-GLUCOSIDASE user 4 3 # 4 B 235 GLU A 153 GLU^? 1000.00 B 340 GLU A 136 GLU^? 1000.00 B 342 CYH A 98 CYH^? 1000.00 coo 41.63 98.81 4.74 43.45 99.80 5.19 12.49 -36.75 -36.83 10.58 -37.13 -36.03 coo 40.49 105.59 6.14 40.82 103.64 6.89 17.75 -33.88 -31.63 19.76 -34.22 -31.08 coo 45.58 109.64 7.60 45.90 106.93 8.23 15.72 -29.14 -26.53 14.42 -27.53 -28.35 ULMN 3 2f61_c01 ACID BETA-GLUCOSIDASE user 5 3 # 5 B 235 GLU B 26 GLU^? 1000.00 B 340 GLU B 15 GLU^? 1000.00 B 342 CYH B 65 CYH^? 1000.00 coo 41.63 98.81 4.74 43.45 99.80 5.19 2.14 -30.76 -88.51 1.40 -30.52 -90.48 coo 40.49 105.59 6.14 40.82 103.64 6.89 -4.24 -34.31 -88.08 -5.97 -33.27 -87.50 coo 45.58 109.64 7.60 45.90 106.93 8.23 -6.88 -34.31 -83.01 -4.68 -35.50 -84.10 ULMN 3 2f61_c01 ACID BETA-GLUCOSIDASE user 6 3 # 6 B 235 GLU B 84 GLU^? 1000.00 B 340 GLU B 86 GLU^? 1000.00 B 342 CYH B 88 CYH^? 1000.00 coo 41.63 98.81 4.74 43.45 99.80 5.19 11.05 -35.89 -77.46 10.93 -37.79 -78.39 coo 40.49 105.59 6.14 40.82 103.64 6.89 12.86 -32.58 -84.08 12.77 -34.69 -84.08 coo 45.58 109.64 7.60 45.90 106.93 8.23 13.42 -29.32 -89.04 12.25 -31.64 -87.96 ULMN 3 2f61_c01 ACID BETA-GLUCOSIDASE user 7 3 # 7 B 235 GLU B 84 GLU^? 1000.00 B 340 GLU B 86 GLU^? 1000.00 B 342 CYH B 98 CYH^? 1000.00 coo 41.63 98.81 4.74 43.45 99.80 5.19 11.05 -35.89 -77.46 10.93 -37.79 -78.39 coo 40.49 105.59 6.14 40.82 103.64 6.89 12.86 -32.58 -84.08 12.77 -34.69 -84.08 coo 45.58 109.64 7.60 45.90 106.93 8.23 17.36 -28.18 -83.02 16.63 -26.25 -81.22 ULMN 3 2f61_c01 ACID BETA-GLUCOSIDASE user 8 3 # 8 B 235 GLU B 153 GLU^? 1000.00 B 340 GLU B 136 GLU^? 1000.00 B 342 CYH B 98 CYH^? 1000.00 coo 41.63 98.81 4.74 43.45 99.80 5.19 25.57 -29.21 -72.73 26.88 -27.75 -73.52 coo 40.49 105.59 6.14 40.82 103.64 6.89 20.45 -32.33 -77.94 19.74 -34.24 -78.49 coo 45.58 109.64 7.60 45.90 106.93 8.23 17.36 -28.18 -83.02 16.63 -26.25 -81.22 2f61_c01 source 2f61 ACID BETA-GLUCOSIDASE : 8 hits 2f61_c01 naa= 3 ULMN 3 2gsa_c04 GLUTAMATE SEMIALDEHYDE AMINOTRANSFERuser 1 3 # 1 A 157 PHE A 97 PHE^? 1000.00 A 245 ASP A 4 ASP^? 1000.00 A 273 LYS A 22 LYS~? 1000.00 coo 9.49 9.24 -34.27 7.12 7.86 -33.75 14.16 -28.67 -22.02 13.82 -25.93 -21.87 coo 1.75 12.92 -36.29 2.66 14.31 -34.97 19.46 -21.33 -18.77 18.88 -20.63 -16.86 coo -0.09 22.51 -29.56 4.47 22.51 -33.59 31.99 -23.27 -21.33 35.03 -27.43 -17.58 ULMN 3 2gsa_c04 GLUTAMATE SEMIALDEHYDE AMINOTRANSFERuser 2 3 # 2 A 157 PHE B 97 PHE^? 1000.00 A 245 ASP B 4 ASP^? 1000.00 A 273 LYS B 22 LYS^? 1000.00 coo 9.49 9.24 -34.27 7.12 7.86 -33.75 17.74 -26.61 -87.53 15.53 -24.94 -87.68 coo 1.75 12.92 -36.29 2.66 14.31 -34.97 8.72 -27.52 -90.78 8.40 -26.67 -92.69 coo -0.09 22.51 -29.56 4.47 22.51 -33.59 4.13 -39.33 -88.23 6.19 -44.05 -91.97 2gsa_c04 source 2gsa GLUTAMATE SEMIALDEHYDE AMINOTRANSFERASE : 2 hits 2gsa_c04 naa= 3 ULMN 3 2jxr_c04 LIGAND CP-081282 user 1 3 # 1 A 32 ASP A 18 ASP~? 1000.00 A 35 SER A 16 SER.? 1000.00 A 215 ASP A 4 ASP^? 1000.00 coo -14.00 61.45 43.99 -14.19 63.14 42.84 26.87 -23.27 -16.72 26.31 -23.96 -18.62 coo -13.21 66.21 45.84 -15.49 65.90 45.84 29.28 -18.48 -20.76 27.76 -20.30 -20.33 coo -10.72 64.19 37.77 -12.20 64.43 39.15 19.46 -21.33 -18.77 18.88 -20.63 -16.86 ULMN 3 2jxr_c04 LIGAND CP-081282 user 2 3 # 2 A 32 ASP A 64 ASP^? 1000.00 A 35 SER A 67 SER^? 1000.00 A 215 ASP A 13 ASP.? 1000.00 coo -14.00 61.45 43.99 -14.19 63.14 42.84 29.43 -11.47 -24.77 28.22 -12.20 -26.29 coo -13.21 66.21 45.84 -15.49 65.90 45.84 29.87 -9.30 -30.54 29.24 -8.38 -28.41 coo -10.72 64.19 37.77 -12.20 64.43 39.15 35.39 -17.87 -27.45 36.78 -19.31 -28.08 ULMN 3 2jxr_c04 LIGAND CP-081282 user 3 3 # 3 A 32 ASP B 18 ASP^? 1000.00 A 35 SER B 16 SER^? 1000.00 A 215 ASP B 4 ASP^? 1000.00 coo -14.00 61.45 43.99 -14.19 63.14 42.84 6.68 -34.89 -92.82 7.57 -34.75 -90.92 coo -13.21 66.21 45.84 -15.49 65.90 45.84 1.34 -34.60 -88.79 3.68 -34.16 -89.21 coo -10.72 64.19 37.77 -12.20 64.43 39.15 8.72 -27.52 -90.78 8.40 -26.67 -92.69 ULMN 3 2jxr_c04 LIGAND CP-081282 user 4 3 # 4 A 32 ASP B 64 ASP^? 1000.00 A 35 SER B 67 SER^? 1000.00 A 215 ASP B 13 ASP^? 1000.00 coo -14.00 61.45 43.99 -14.19 63.14 42.84 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 coo -13.21 66.21 45.84 -15.49 65.90 45.84 -6.90 -30.50 -78.99 -7.38 -29.51 -81.14 coo -10.72 64.19 37.77 -12.20 64.43 39.15 -2.24 -39.57 -82.10 -1.69 -41.51 -81.47 2jxr_c04 source 2jxr LIGAND CP-081282 : 4 hits 2jxr_c04 naa= 3 ULMN 3 2lpr_c02 ALPHA-LYTIC PROTEASE user 1 3 # 1 A 57 HIS A 21 HIS~? 1000.00 A 102 ASP A 18 ASP~? 1000.00 A 193 GLY A 14 GLY.? 1000.00 coo 14.96 29.22 19.55 15.62 29.93 17.67 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo 19.64 30.69 22.61 18.18 29.94 21.25 26.87 -23.27 -16.72 26.31 -23.96 -18.62 coo 14.54 28.99 9.76 15.06 29.59 10.02 31.16 -16.49 -26.28 31.87 -16.86 -25.96 ULMN 3 2lpr_c02 ALPHA-LYTIC PROTEASE user 2 3 # 2 A 57 HIS B 21 HIS^? 1000.00 A 102 ASP B 18 ASP^? 1000.00 A 193 GLY B 14 GLY^? 1000.00 coo 14.96 29.22 19.55 15.62 29.93 17.67 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo 19.64 30.69 22.61 18.18 29.94 21.25 6.68 -34.89 -92.82 7.57 -34.75 -90.92 coo 14.54 28.99 9.76 15.06 29.59 10.02 -1.32 -35.21 -83.27 -1.35 -36.02 -83.59 2lpr_c02 source 2lpr ALPHA-LYTIC PROTEASE : 2 hits 2lpr_c02 naa= 3 ULMN 3 2oat_c06 ORNITHINE AMINOTRANSFERASE user 1 3 # 1 A 178 TRP A 24 TRP.? 1000.00 A 263 ASP A 13 ASP.? 1000.00 A 292 LYS A 69 LYS^? 1000.00 coo 48.96 45.07 19.49 48.62 41.39 18.16 29.50 -23.82 -24.98 26.46 -25.33 -26.95 coo 54.43 44.82 23.74 55.21 45.06 21.80 35.39 -17.87 -27.45 36.78 -19.31 -28.08 coo 63.95 45.30 16.71 59.11 49.15 16.05 32.90 -11.51 -34.53 36.58 -11.70 -35.14 ULMN 3 2oat_c06 ORNITHINE AMINOTRANSFERASE user 2 3 # 2 A 178 TRP A 62 TRP^? 1000.00 A 263 ASP A 64 ASP^? 1000.00 A 292 LYS A 8 LYS^? 1000.00 coo 48.96 45.07 19.49 48.62 41.39 18.16 23.10 -9.99 -20.94 20.22 -7.34 -21.33 coo 54.43 44.82 23.74 55.21 45.06 21.80 29.43 -11.47 -24.77 28.22 -12.20 -26.29 coo 63.95 45.30 16.71 59.11 49.15 16.05 27.50 -22.43 -30.09 31.82 -26.84 -29.34 ULMN 3 2oat_c06 ORNITHINE AMINOTRANSFERASE user 3 3 # 3 A 178 TRP A 62 TRP^? 1000.00 A 263 ASP A 64 ASP^? 1000.00 A 292 LYS A 22 LYS~? 1000.00 coo 48.96 45.07 19.49 48.62 41.39 18.16 23.10 -9.99 -20.94 20.22 -7.34 -21.33 coo 54.43 44.82 23.74 55.21 45.06 21.80 29.43 -11.47 -24.77 28.22 -12.20 -26.29 coo 63.95 45.30 16.71 59.11 49.15 16.05 31.99 -23.27 -21.33 35.03 -27.43 -17.58 ULMN 3 2oat_c06 ORNITHINE AMINOTRANSFERASE user 4 3 # 4 A 178 TRP A 62 TRP^? 1000.00 A 263 ASP A 64 ASP^? 1000.00 A 292 LYS A 69 LYS^? 1000.00 coo 48.96 45.07 19.49 48.62 41.39 18.16 23.10 -9.99 -20.94 20.22 -7.34 -21.33 coo 54.43 44.82 23.74 55.21 45.06 21.80 29.43 -11.47 -24.77 28.22 -12.20 -26.29 coo 63.95 45.30 16.71 59.11 49.15 16.05 32.90 -11.51 -34.53 36.58 -11.70 -35.14 ULMN 3 2oat_c06 ORNITHINE AMINOTRANSFERASE user 5 3 # 5 A 178 TRP B 24 TRP^? 1000.00 A 263 ASP B 13 ASP^? 1000.00 A 292 LYS B 69 LYS^? 1000.00 coo 48.96 45.07 19.49 48.62 41.39 18.16 5.85 -37.46 -84.57 8.68 -35.58 -82.60 coo 54.43 44.82 23.74 55.21 45.06 21.80 -2.24 -39.57 -82.10 -1.69 -41.51 -81.47 coo 63.95 45.30 16.71 59.11 49.15 16.05 -6.51 -34.23 -75.02 -8.20 -37.51 -74.40 ULMN 3 2oat_c06 ORNITHINE AMINOTRANSFERASE user 6 3 # 6 A 178 TRP B 62 TRP^? 1000.00 A 263 ASP B 64 ASP^? 1000.00 A 292 LYS B 8 LYS^? 1000.00 coo 48.96 45.07 19.49 48.62 41.39 18.16 -2.92 -24.99 -88.60 -3.77 -21.17 -88.21 coo 54.43 44.82 23.74 55.21 45.06 21.80 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 coo 63.95 45.30 16.71 59.11 49.15 16.05 5.64 -35.04 -79.46 7.30 -40.97 -80.23 ULMN 3 2oat_c06 ORNITHINE AMINOTRANSFERASE user 7 3 # 7 A 178 TRP B 62 TRP^? 1000.00 A 263 ASP B 64 ASP^? 1000.00 A 292 LYS B 22 LYS^? 1000.00 coo 48.96 45.07 19.49 48.62 41.39 18.16 -2.92 -24.99 -88.60 -3.77 -21.17 -88.21 coo 54.43 44.82 23.74 55.21 45.06 21.80 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 coo 63.95 45.30 16.71 59.11 49.15 16.05 4.13 -39.33 -88.23 6.19 -44.05 -91.97 ULMN 3 2oat_c06 ORNITHINE AMINOTRANSFERASE user 8 3 # 8 A 178 TRP B 62 TRP^? 1000.00 A 263 ASP B 64 ASP^? 1000.00 A 292 LYS B 69 LYS^? 1000.00 coo 48.96 45.07 19.49 48.62 41.39 18.16 -2.92 -24.99 -88.60 -3.77 -21.17 -88.21 coo 54.43 44.82 23.74 55.21 45.06 21.80 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 coo 63.95 45.30 16.71 59.11 49.15 16.05 -6.51 -34.23 -75.02 -8.20 -37.51 -74.40 2oat_c06 source 2oat ORNITHINE AMINOTRANSFERASE : 8 hits 2oat_c06 naa= 3 ULMN 3 2oat_c07 ORNITHINE AMINOTRANSFERASE user 1 3 # 1 B 178 TRP A 24 TRP.? 1000.00 B 263 ASP A 13 ASP.? 1000.00 B 292 LYS A 69 LYS^? 1000.00 coo 45.83 31.15 4.65 45.88 34.74 6.24 29.50 -23.82 -24.98 26.46 -25.33 -26.95 coo 49.07 31.32 -1.50 50.64 31.29 -0.07 35.39 -17.87 -27.45 36.78 -19.31 -28.08 coo 60.53 31.67 0.97 57.79 27.51 3.63 32.90 -11.51 -34.53 36.58 -11.70 -35.14 ULMN 3 2oat_c07 ORNITHINE AMINOTRANSFERASE user 2 3 # 2 B 178 TRP A 62 TRP^? 1000.00 B 263 ASP A 64 ASP^? 1000.00 B 292 LYS A 8 LYS^? 1000.00 coo 45.83 31.15 4.65 45.88 34.74 6.24 23.10 -9.99 -20.94 20.22 -7.34 -21.33 coo 49.07 31.32 -1.50 50.64 31.29 -0.07 29.43 -11.47 -24.77 28.22 -12.20 -26.29 coo 60.53 31.67 0.97 57.79 27.51 3.63 27.50 -22.43 -30.09 31.82 -26.84 -29.34 ULMN 3 2oat_c07 ORNITHINE AMINOTRANSFERASE user 3 3 # 3 B 178 TRP A 62 TRP^? 1000.00 B 263 ASP A 64 ASP^? 1000.00 B 292 LYS A 22 LYS~? 1000.00 coo 45.83 31.15 4.65 45.88 34.74 6.24 23.10 -9.99 -20.94 20.22 -7.34 -21.33 coo 49.07 31.32 -1.50 50.64 31.29 -0.07 29.43 -11.47 -24.77 28.22 -12.20 -26.29 coo 60.53 31.67 0.97 57.79 27.51 3.63 31.99 -23.27 -21.33 35.03 -27.43 -17.58 ULMN 3 2oat_c07 ORNITHINE AMINOTRANSFERASE user 4 3 # 4 B 178 TRP A 62 TRP^? 1000.00 B 263 ASP A 64 ASP^? 1000.00 B 292 LYS A 69 LYS^? 1000.00 coo 45.83 31.15 4.65 45.88 34.74 6.24 23.10 -9.99 -20.94 20.22 -7.34 -21.33 coo 49.07 31.32 -1.50 50.64 31.29 -0.07 29.43 -11.47 -24.77 28.22 -12.20 -26.29 coo 60.53 31.67 0.97 57.79 27.51 3.63 32.90 -11.51 -34.53 36.58 -11.70 -35.14 ULMN 3 2oat_c07 ORNITHINE AMINOTRANSFERASE user 5 3 # 5 B 178 TRP B 24 TRP^? 1000.00 B 263 ASP B 13 ASP^? 1000.00 B 292 LYS B 69 LYS^? 1000.00 coo 45.83 31.15 4.65 45.88 34.74 6.24 5.85 -37.46 -84.57 8.68 -35.58 -82.60 coo 49.07 31.32 -1.50 50.64 31.29 -0.07 -2.24 -39.57 -82.10 -1.69 -41.51 -81.47 coo 60.53 31.67 0.97 57.79 27.51 3.63 -6.51 -34.23 -75.02 -8.20 -37.51 -74.40 ULMN 3 2oat_c07 ORNITHINE AMINOTRANSFERASE user 6 3 # 6 B 178 TRP B 62 TRP^? 1000.00 B 263 ASP B 64 ASP^? 1000.00 B 292 LYS B 8 LYS^? 1000.00 coo 45.83 31.15 4.65 45.88 34.74 6.24 -2.92 -24.99 -88.60 -3.77 -21.17 -88.21 coo 49.07 31.32 -1.50 50.64 31.29 -0.07 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 coo 60.53 31.67 0.97 57.79 27.51 3.63 5.64 -35.04 -79.46 7.30 -40.97 -80.23 ULMN 3 2oat_c07 ORNITHINE AMINOTRANSFERASE user 7 3 # 7 B 178 TRP B 62 TRP^? 1000.00 B 263 ASP B 64 ASP^? 1000.00 B 292 LYS B 22 LYS^? 1000.00 coo 45.83 31.15 4.65 45.88 34.74 6.24 -2.92 -24.99 -88.60 -3.77 -21.17 -88.21 coo 49.07 31.32 -1.50 50.64 31.29 -0.07 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 coo 60.53 31.67 0.97 57.79 27.51 3.63 4.13 -39.33 -88.23 6.19 -44.05 -91.97 ULMN 3 2oat_c07 ORNITHINE AMINOTRANSFERASE user 8 3 # 8 B 178 TRP B 62 TRP^? 1000.00 B 263 ASP B 64 ASP^? 1000.00 B 292 LYS B 69 LYS^? 1000.00 coo 45.83 31.15 4.65 45.88 34.74 6.24 -2.92 -24.99 -88.60 -3.77 -21.17 -88.21 coo 49.07 31.32 -1.50 50.64 31.29 -0.07 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 coo 60.53 31.67 0.97 57.79 27.51 3.63 -6.51 -34.23 -75.02 -8.20 -37.51 -74.40 2oat_c07 source 2oat ORNITHINE AMINOTRANSFERASE : 8 hits 2oat_c07 naa= 3 ULMN 3 2oat_c08 ORNITHINE AMINOTRANSFERASE user 1 3 # 1 C 178 TRP A 62 TRP^? 1000.00 C 263 ASP A 64 ASP^? 1000.00 C 292 LYS A 8 LYS^? 1000.00 coo 20.52 16.65 4.15 17.32 18.91 4.39 23.10 -9.99 -20.94 20.22 -7.34 -21.33 coo 19.84 12.02 9.33 18.68 11.23 7.75 29.43 -11.47 -24.77 28.22 -12.20 -26.29 coo 12.82 3.49 4.98 17.80 5.59 1.90 27.50 -22.43 -30.09 31.82 -26.84 -29.34 ULMN 3 2oat_c08 ORNITHINE AMINOTRANSFERASE user 2 3 # 2 C 178 TRP A 62 TRP^? 1000.00 C 263 ASP A 64 ASP^? 1000.00 C 292 LYS A 22 LYS~? 1000.00 coo 20.52 16.65 4.15 17.32 18.91 4.39 23.10 -9.99 -20.94 20.22 -7.34 -21.33 coo 19.84 12.02 9.33 18.68 11.23 7.75 29.43 -11.47 -24.77 28.22 -12.20 -26.29 coo 12.82 3.49 4.98 17.80 5.59 1.90 31.99 -23.27 -21.33 35.03 -27.43 -17.58 ULMN 3 2oat_c08 ORNITHINE AMINOTRANSFERASE user 3 3 # 3 C 178 TRP A 62 TRP^? 1000.00 C 263 ASP A 64 ASP^? 1000.00 C 292 LYS A 69 LYS^? 1000.00 coo 20.52 16.65 4.15 17.32 18.91 4.39 23.10 -9.99 -20.94 20.22 -7.34 -21.33 coo 19.84 12.02 9.33 18.68 11.23 7.75 29.43 -11.47 -24.77 28.22 -12.20 -26.29 coo 12.82 3.49 4.98 17.80 5.59 1.90 32.90 -11.51 -34.53 36.58 -11.70 -35.14 ULMN 3 2oat_c08 ORNITHINE AMINOTRANSFERASE user 4 3 # 4 C 178 TRP B 62 TRP^? 1000.00 C 263 ASP B 64 ASP^? 1000.00 C 292 LYS B 8 LYS^? 1000.00 coo 20.52 16.65 4.15 17.32 18.91 4.39 -2.92 -24.99 -88.60 -3.77 -21.17 -88.21 coo 19.84 12.02 9.33 18.68 11.23 7.75 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 coo 12.82 3.49 4.98 17.80 5.59 1.90 5.64 -35.04 -79.46 7.30 -40.97 -80.23 ULMN 3 2oat_c08 ORNITHINE AMINOTRANSFERASE user 5 3 # 5 C 178 TRP B 62 TRP^? 1000.00 C 263 ASP B 64 ASP^? 1000.00 C 292 LYS B 22 LYS^? 1000.00 coo 20.52 16.65 4.15 17.32 18.91 4.39 -2.92 -24.99 -88.60 -3.77 -21.17 -88.21 coo 19.84 12.02 9.33 18.68 11.23 7.75 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 coo 12.82 3.49 4.98 17.80 5.59 1.90 4.13 -39.33 -88.23 6.19 -44.05 -91.97 ULMN 3 2oat_c08 ORNITHINE AMINOTRANSFERASE user 6 3 # 6 C 178 TRP B 62 TRP^? 1000.00 C 263 ASP B 64 ASP^? 1000.00 C 292 LYS B 69 LYS^? 1000.00 coo 20.52 16.65 4.15 17.32 18.91 4.39 -2.92 -24.99 -88.60 -3.77 -21.17 -88.21 coo 19.84 12.02 9.33 18.68 11.23 7.75 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 coo 12.82 3.49 4.98 17.80 5.59 1.90 -6.51 -34.23 -75.02 -8.20 -37.51 -74.40 2oat_c08 source 2oat ORNITHINE AMINOTRANSFERASE : 6 hits 2oat_c08 naa= 3 ULMN 3 2phk_c02 MC-PEPTIDE user 1 3 # 1 A 149 ASP A 10 ASP.? 1000.00 A 151 LYS A 8 LYS^? 1000.00 A 186 THR A 82 THR^? 1000.00 coo 41.42 17.90 44.98 43.39 18.36 45.61 32.49 -23.60 -36.06 31.26 -25.30 -35.99 coo 45.75 16.58 39.61 47.43 18.26 45.54 27.50 -22.43 -30.09 31.82 -26.84 -29.34 coo 45.88 23.02 44.72 46.99 21.16 44.68 27.39 -25.46 -37.55 27.64 -27.45 -36.79 ULMN 3 2phk_c02 MC-PEPTIDE user 2 3 # 2 A 149 ASP B 10 ASP^? 1000.00 A 151 LYS B 8 LYS^? 1000.00 A 186 THR B 82 THR^? 1000.00 coo 41.42 17.90 44.98 43.39 18.36 45.61 4.17 -39.92 -73.48 6.27 -39.73 -73.56 coo 45.75 16.58 39.61 47.43 18.26 45.54 5.64 -35.04 -79.46 7.30 -40.97 -80.23 coo 45.88 23.02 44.72 46.99 21.16 44.68 8.34 -36.44 -72.00 9.94 -37.66 -72.77 2phk_c02 source 2phk MC-PEPTIDE : 2 hits 2phk_c02 naa= 3 ULMN 3 2tpl_c04 TYROSINE PHENOL-LYASE user 1 3 # 1 A 122 TYR A 110 TYR^? 1000.00 A 214 ASP A 127 ASP^? 1000.00 A 256 LYS A 131 LYS^? 1000.00 coo -36.51 -15.34 5.35 -36.90 -16.76 7.69 25.37 -7.28 -35.31 26.28 -6.16 -32.97 coo -29.95 -11.32 -1.46 -28.83 -11.55 0.31 18.62 -12.41 -38.39 16.82 -11.65 -37.54 coo -18.13 -8.46 4.26 -20.75 -6.32 9.36 20.68 -24.51 -44.83 21.09 -22.52 -49.85 ULMN 3 2tpl_c04 TYROSINE PHENOL-LYASE user 2 3 # 2 A 122 TYR A 130 TYR^? 1000.00 A 214 ASP A 127 ASP^? 1000.00 A 256 LYS A 61 LYS^? 1000.00 coo -36.51 -15.34 5.35 -36.90 -16.76 7.69 19.24 -22.19 -40.85 16.56 -22.21 -40.14 coo -29.95 -11.32 -1.46 -28.83 -11.55 0.31 18.62 -12.41 -38.39 16.82 -11.65 -37.54 coo -18.13 -8.46 4.26 -20.75 -6.32 9.36 21.64 -11.48 -26.11 26.63 -11.26 -28.52 ULMN 3 2tpl_c04 TYROSINE PHENOL-LYASE user 3 3 # 3 A 122 TYR A 130 TYR^? 1000.00 A 214 ASP A 127 ASP^? 1000.00 A 256 LYS A 69 LYS^? 1000.00 coo -36.51 -15.34 5.35 -36.90 -16.76 7.69 19.24 -22.19 -40.85 16.56 -22.21 -40.14 coo -29.95 -11.32 -1.46 -28.83 -11.55 0.31 18.62 -12.41 -38.39 16.82 -11.65 -37.54 coo -18.13 -8.46 4.26 -20.75 -6.32 9.36 32.90 -11.51 -34.53 36.58 -11.70 -35.14 ULMN 3 2tpl_c04 TYROSINE PHENOL-LYASE user 4 3 # 4 A 122 TYR B 110 TYR^? 1000.00 A 214 ASP B 127 ASP^? 1000.00 A 256 LYS B 131 LYS^? 1000.00 coo -36.51 -15.34 5.35 -36.90 -16.76 7.69 -6.38 -25.61 -74.23 -7.82 -25.83 -76.58 coo -29.95 -11.32 -1.46 -28.83 -11.55 0.31 1.44 -22.32 -71.15 1.70 -20.39 -72.00 coo -18.13 -8.46 4.26 -20.75 -6.32 9.36 10.88 -30.17 -64.72 8.95 -29.51 -59.71 ULMN 3 2tpl_c04 TYROSINE PHENOL-LYASE user 5 3 # 5 A 122 TYR B 130 TYR^? 1000.00 A 214 ASP B 127 ASP^? 1000.00 A 256 LYS B 61 LYS^? 1000.00 coo -36.51 -15.34 5.35 -36.90 -16.76 7.69 9.59 -27.76 -68.70 10.95 -25.45 -69.40 coo -29.95 -11.32 -1.46 -28.83 -11.55 0.31 1.44 -22.32 -71.15 1.70 -20.39 -72.00 coo -18.13 -8.46 4.26 -20.75 -6.32 9.36 -0.89 -24.47 -83.43 -3.57 -28.69 -81.00 ULMN 3 2tpl_c04 TYROSINE PHENOL-LYASE user 6 3 # 6 A 122 TYR B 130 TYR^? 1000.00 A 214 ASP B 127 ASP^? 1000.00 A 256 LYS B 69 LYS^? 1000.00 coo -36.51 -15.34 5.35 -36.90 -16.76 7.69 9.59 -27.76 -68.70 10.95 -25.45 -69.40 coo -29.95 -11.32 -1.46 -28.83 -11.55 0.31 1.44 -22.32 -71.15 1.70 -20.39 -72.00 coo -18.13 -8.46 4.26 -20.75 -6.32 9.36 -6.51 -34.23 -75.02 -8.20 -37.51 -74.40 2tpl_c04 source 2tpl TYROSINE PHENOL-LYASE : 6 hits 2tpl_c04 naa= 3 ULMN 3 2tpl_c05 TYROSINE PHENOL-LYASE user 1 3 # 1 B 122 TYR A 110 TYR^? 1000.00 B 214 ASP A 127 ASP^? 1000.00 B 256 LYS A 131 LYS^? 1000.00 coo -32.67 22.74 10.17 -32.85 23.98 7.70 25.37 -7.28 -35.31 26.28 -6.16 -32.97 coo -26.88 17.61 16.89 -26.08 17.11 15.00 18.62 -12.41 -38.39 16.82 -11.65 -37.54 coo -16.04 12.06 11.09 -17.97 10.54 5.71 20.68 -24.51 -44.83 21.09 -22.52 -49.85 ULMN 3 2tpl_c05 TYROSINE PHENOL-LYASE user 2 3 # 2 B 122 TYR A 130 TYR^? 1000.00 B 214 ASP A 127 ASP^? 1000.00 B 256 LYS A 61 LYS^? 1000.00 coo -32.67 22.74 10.17 -32.85 23.98 7.70 19.24 -22.19 -40.85 16.56 -22.21 -40.14 coo -26.88 17.61 16.89 -26.08 17.11 15.00 18.62 -12.41 -38.39 16.82 -11.65 -37.54 coo -16.04 12.06 11.09 -17.97 10.54 5.71 21.64 -11.48 -26.11 26.63 -11.26 -28.52 ULMN 3 2tpl_c05 TYROSINE PHENOL-LYASE user 3 3 # 3 B 122 TYR A 130 TYR^? 1000.00 B 214 ASP A 127 ASP^? 1000.00 B 256 LYS A 69 LYS^? 1000.00 coo -32.67 22.74 10.17 -32.85 23.98 7.70 19.24 -22.19 -40.85 16.56 -22.21 -40.14 coo -26.88 17.61 16.89 -26.08 17.11 15.00 18.62 -12.41 -38.39 16.82 -11.65 -37.54 coo -16.04 12.06 11.09 -17.97 10.54 5.71 32.90 -11.51 -34.53 36.58 -11.70 -35.14 ULMN 3 2tpl_c05 TYROSINE PHENOL-LYASE user 4 3 # 4 B 122 TYR B 110 TYR^? 1000.00 B 214 ASP B 127 ASP^? 1000.00 B 256 LYS B 131 LYS^? 1000.00 coo -32.67 22.74 10.17 -32.85 23.98 7.70 -6.38 -25.61 -74.23 -7.82 -25.83 -76.58 coo -26.88 17.61 16.89 -26.08 17.11 15.00 1.44 -22.32 -71.15 1.70 -20.39 -72.00 coo -16.04 12.06 11.09 -17.97 10.54 5.71 10.88 -30.17 -64.72 8.95 -29.51 -59.71 ULMN 3 2tpl_c05 TYROSINE PHENOL-LYASE user 5 3 # 5 B 122 TYR B 130 TYR^? 1000.00 B 214 ASP B 127 ASP^? 1000.00 B 256 LYS B 61 LYS^? 1000.00 coo -32.67 22.74 10.17 -32.85 23.98 7.70 9.59 -27.76 -68.70 10.95 -25.45 -69.40 coo -26.88 17.61 16.89 -26.08 17.11 15.00 1.44 -22.32 -71.15 1.70 -20.39 -72.00 coo -16.04 12.06 11.09 -17.97 10.54 5.71 -0.89 -24.47 -83.43 -3.57 -28.69 -81.00 ULMN 3 2tpl_c05 TYROSINE PHENOL-LYASE user 6 3 # 6 B 122 TYR B 130 TYR^? 1000.00 B 214 ASP B 127 ASP^? 1000.00 B 256 LYS B 69 LYS^? 1000.00 coo -32.67 22.74 10.17 -32.85 23.98 7.70 9.59 -27.76 -68.70 10.95 -25.45 -69.40 coo -26.88 17.61 16.89 -26.08 17.11 15.00 1.44 -22.32 -71.15 1.70 -20.39 -72.00 coo -16.04 12.06 11.09 -17.97 10.54 5.71 -6.51 -34.23 -75.02 -8.20 -37.51 -74.40 2tpl_c05 source 2tpl TYROSINE PHENOL-LYASE : 6 hits 2tpl_c05 naa= 3 ULMN 1 1kbk_p00 ALPHA-AMYLASE, PANCREATIC user 1 1 # 1 A 461 ASN A 36 ASN^? 1000.00 coo 5.80 63.03 55.85 5.52 65.03 56.45 4.01 -26.37 -45.94 2.34 -27.21 -44.98 ULMN 1 1kbk_p00 ALPHA-AMYLASE, PANCREATIC user 2 1 # 2 A 461 ASN A 79 ASN^? 1000.00 coo 5.80 63.03 55.85 5.52 65.03 56.45 30.27 -19.86 -44.79 29.14 -19.17 -46.44 ULMN 1 1kbk_p00 ALPHA-AMYLASE, PANCREATIC user 3 1 # 3 A 461 ASN A 160 ASN^? 1000.00 coo 5.80 63.03 55.85 5.52 65.03 56.45 13.02 -29.93 -50.89 13.83 -28.14 -51.73 ULMN 1 1kbk_p00 ALPHA-AMYLASE, PANCREATIC user 4 1 # 4 A 461 ASN B 36 ASN^? 1000.00 coo 5.80 63.03 55.85 5.52 65.03 56.45 20.84 -16.68 -63.62 22.42 -15.65 -64.57 ULMN 1 1kbk_p00 ALPHA-AMYLASE, PANCREATIC user 5 1 # 5 A 461 ASN B 79 ASN^? 1000.00 coo 5.80 63.03 55.85 5.52 65.03 56.45 2.06 -36.15 -64.76 2.02 -34.83 -63.11 ULMN 1 1kbk_p00 ALPHA-AMYLASE, PANCREATIC user 6 1 # 6 A 461 ASN B 160 ASN^? 1000.00 coo 5.80 63.03 55.85 5.52 65.03 56.45 19.41 -26.26 -58.66 17.46 -26.07 -57.82 1kbk_p00 source 1kbk ALPHA-AMYLASE, PANCREATIC : 6 hits 1kbk_p00 naa= 1 ULMN 3 1cqt_d00 GENE REGULATION/DNA user 1 3 # 1 I 303 TYR A 6 TYR^? 1000.00 I 306 VAL A 27 VAL^? 1000.00 I 308 VAL A 59 VAL^? 1000.00 coo 26.18 35.24 6.87 24.33 35.18 8.97 23.82 -22.13 -22.62 23.54 -22.15 -19.84 coo 23.55 29.53 9.81 23.15 27.39 10.24 21.22 -16.06 -25.04 20.43 -17.28 -26.68 coo 16.43 30.18 9.35 15.05 30.67 11.01 18.73 -14.55 -31.26 20.48 -15.70 -30.74 ULMN 3 1cqt_d00 GENE REGULATION/DNA user 2 3 # 2 I 303 TYR A 130 TYR^? 1000.00 I 306 VAL A 105 VAL^? 1000.00 I 308 VAL A 107 VAL^? 1000.00 coo 26.18 35.24 6.87 24.33 35.18 8.97 19.24 -22.19 -40.85 16.56 -22.21 -40.14 coo 23.55 29.53 9.81 23.15 27.39 10.24 24.96 -20.99 -41.07 24.35 -21.36 -39.02 coo 16.43 30.18 9.35 15.05 30.67 11.01 24.71 -14.05 -39.90 25.58 -13.06 -38.16 ULMN 3 1cqt_d00 GENE REGULATION/DNA user 3 3 # 3 I 303 TYR B 6 TYR^? 1000.00 I 306 VAL B 27 VAL^? 1000.00 I 308 VAL B 59 VAL^? 1000.00 coo 26.18 35.24 6.87 24.33 35.18 8.97 7.23 -31.69 -86.93 7.39 -31.46 -89.70 coo 23.55 29.53 9.81 23.15 27.39 10.24 3.28 -26.40 -84.50 4.73 -26.33 -82.85 coo 16.43 30.18 9.35 15.05 30.67 11.01 3.23 -23.49 -78.28 3.35 -25.59 -78.80 ULMN 3 1cqt_d00 GENE REGULATION/DNA user 4 3 # 4 I 303 TYR B 130 TYR^? 1000.00 I 306 VAL B 105 VAL^? 1000.00 I 308 VAL B 107 VAL^? 1000.00 coo 26.18 35.24 6.87 24.33 35.18 8.97 9.59 -27.76 -68.70 10.95 -25.45 -69.40 coo 23.55 29.53 9.81 23.15 27.39 10.24 5.69 -32.11 -68.48 6.31 -31.76 -70.52 coo 16.43 30.18 9.35 15.05 30.67 11.01 -0.19 -28.42 -69.64 -1.50 -28.68 -71.37 1cqt_d00 source 1cqt GENE REGULATION/DNA : 4 hits 1cqt_d00 naa= 3 ULMN 3 1mjo_d00 TRANSCRIPTION/DNA user 1 3 # 1 D 23 LYS A 61 LYS^? 1000.00 D 25 THR A 125 THR^? 1000.00 D 27 SER A 109 SER^? 1000.00 coo 86.60 33.38 44.00 87.05 39.52 42.71 21.64 -11.48 -26.11 26.63 -11.26 -28.52 coo 81.20 31.58 48.03 79.23 32.24 47.54 19.61 -8.98 -31.91 17.52 -8.56 -31.86 coo 79.09 29.82 54.20 77.17 28.90 53.05 21.83 -9.29 -39.78 19.70 -9.10 -38.63 ULMN 3 1mjo_d00 TRANSCRIPTION/DNA user 2 3 # 2 D 23 LYS B 61 LYS^? 1000.00 D 25 THR B 125 THR^? 1000.00 D 27 SER B 109 SER^? 1000.00 coo 86.60 33.38 44.00 87.05 39.52 42.71 -0.89 -24.47 -83.43 -3.57 -28.69 -81.00 coo 81.20 31.58 48.03 79.23 32.24 47.54 -2.03 -21.47 -77.63 -1.34 -19.45 -77.68 coo 79.09 29.82 54.20 77.17 28.90 53.05 -2.87 -23.54 -69.76 -1.96 -21.61 -70.91 1mjo_d00 source 1mjo TRANSCRIPTION/DNA : 2 hits 1mjo_d00 naa= 3 ULMN 3 2bsq_d00 TRANSCRIPTION user 1 3 # 1 E 3 SER A 108 SER^? 1000.00 E 5 VAL A 56 VAL^? 1000.00 E 7 ARG A 58 ARG^? 1000.00 coo -3.82 -25.91 35.53 -5.28 -27.06 37.10 22.13 -12.28 -42.07 20.02 -13.23 -41.28 coo -8.42 -21.09 33.22 -10.34 -21.69 33.92 15.62 -17.40 -39.79 16.77 -15.72 -40.53 coo -12.01 -17.19 33.96 -11.18 -17.21 36.88 13.69 -12.28 -35.52 13.48 -9.28 -35.96 ULMN 3 2bsq_d00 TRANSCRIPTION user 2 3 # 2 E 3 SER B 108 SER^? 1000.00 E 5 VAL B 56 VAL^? 1000.00 E 7 ARG B 58 ARG^? 1000.00 coo -3.82 -25.91 35.53 -5.28 -27.06 37.10 -0.43 -25.30 -67.47 1.45 -23.99 -68.28 coo -8.42 -21.09 33.22 -10.34 -21.69 33.92 7.25 -22.24 -69.75 5.22 -22.36 -69.02 coo -12.01 -17.19 33.96 -11.18 -17.21 36.88 3.79 -17.99 -74.03 1.30 -16.30 -73.57 2bsq_d00 source 2bsq TRANSCRIPTION : 2 hits 2bsq_d00 naa= 3 ULMN 3 3s57_d00 OXIDOREDUCTASE/DNA user 1 3 # 1 A 101 VAL A 59 VAL^? 1000.00 A 102 PHE A 128 PHE^? 1000.00 A 169 CYH A 112 CYH^? 1000.00 coo -0.48 2.03 12.21 0.64 0.32 12.97 18.73 -14.55 -31.26 20.48 -15.70 -30.74 coo 0.51 5.20 15.97 0.26 4.09 18.50 22.32 -16.99 -36.28 24.17 -16.12 -34.42 coo 4.56 -7.03 18.26 5.32 -4.76 16.88 22.89 -3.13 -31.78 25.14 -2.79 -30.26 ULMN 3 3s57_d00 OXIDOREDUCTASE/DNA user 2 3 # 2 A 101 VAL A 107 VAL^? 1000.00 A 102 PHE A 128 PHE^? 1000.00 A 169 CYH A 112 CYH^? 1000.00 coo -0.48 2.03 12.21 0.64 0.32 12.97 24.71 -14.05 -39.90 25.58 -13.06 -38.16 coo 0.51 5.20 15.97 0.26 4.09 18.50 22.32 -16.99 -36.28 24.17 -16.12 -34.42 coo 4.56 -7.03 18.26 5.32 -4.76 16.88 22.89 -3.13 -31.78 25.14 -2.79 -30.26 ULMN 3 3s57_d00 OXIDOREDUCTASE/DNA user 3 3 # 3 A 101 VAL A 133 VAL^? 1000.00 A 102 PHE A 102 PHE^? 1000.00 A 169 CYH A 98 CYH^? 1000.00 coo -0.48 2.03 12.21 0.64 0.32 12.97 18.58 -28.09 -38.99 16.97 -26.89 -38.21 coo 0.51 5.20 15.97 0.26 4.09 18.50 20.49 -23.92 -36.98 18.27 -23.18 -35.48 coo 4.56 -7.03 18.26 5.32 -4.76 16.88 15.72 -29.14 -26.53 14.42 -27.53 -28.35 ULMN 3 3s57_d00 OXIDOREDUCTASE/DNA user 4 3 # 4 A 101 VAL B 59 VAL^? 1000.00 A 102 PHE B 128 PHE^? 1000.00 A 169 CYH B 112 CYH^? 1000.00 coo -0.48 2.03 12.21 0.64 0.32 12.97 3.23 -23.49 -78.28 3.35 -25.59 -78.80 coo 0.51 5.20 15.97 0.26 4.09 18.50 3.54 -27.82 -73.26 1.86 -28.99 -75.12 coo 4.56 -7.03 18.26 5.32 -4.76 16.88 -8.76 -21.38 -77.75 -10.25 -23.14 -79.25 ULMN 3 3s57_d00 OXIDOREDUCTASE/DNA user 5 3 # 5 A 101 VAL B 107 VAL^? 1000.00 A 102 PHE B 128 PHE^? 1000.00 A 169 CYH B 112 CYH^? 1000.00 coo -0.48 2.03 12.21 0.64 0.32 12.97 -0.19 -28.42 -69.64 -1.50 -28.68 -71.37 coo 0.51 5.20 15.97 0.26 4.09 18.50 3.54 -27.82 -73.26 1.86 -28.99 -75.12 coo 4.56 -7.03 18.26 5.32 -4.76 16.88 -8.76 -21.38 -77.75 -10.25 -23.14 -79.25 ULMN 3 3s57_d00 OXIDOREDUCTASE/DNA user 6 3 # 6 A 101 VAL B 133 VAL^? 1000.00 A 102 PHE B 102 PHE^? 1000.00 A 169 CYH B 98 CYH^? 1000.00 coo -0.48 2.03 12.21 0.64 0.32 12.97 15.02 -30.13 -70.56 14.80 -28.15 -71.35 coo 0.51 5.20 15.97 0.26 4.09 18.50 10.47 -29.71 -72.56 10.94 -27.41 -74.06 coo 4.56 -7.03 18.26 5.32 -4.76 16.88 17.36 -28.18 -83.02 16.63 -26.25 -81.22 3s57_d00 source 3s57 OXIDOREDUCTASE/DNA : 6 hits 3s57_d00 naa= 3 ULMN 3 1ukf_o00 AVIRULENCE PROTEIN AVRPPH3 user 1 3 # 1 A 98 CYH A 88 CYH^? 1000.00 A 212 HIS A 21 HIS~? 1000.00 A 227 ASP A 18 ASP~? 1000.00 coo 32.24 40.70 41.87 34.94 39.83 42.22 18.68 -26.29 -20.51 21.30 -26.44 -21.57 coo 35.63 37.64 46.24 33.55 37.41 46.24 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo 30.05 37.79 50.12 31.66 36.75 49.22 26.87 -23.27 -16.72 26.31 -23.96 -18.62 ULMN 3 1ukf_o00 AVIRULENCE PROTEIN AVRPPH3 user 2 3 # 2 A 98 CYH B 88 CYH^? 1000.00 A 212 HIS B 21 HIS^? 1000.00 A 227 ASP B 18 ASP^? 1000.00 coo 32.24 40.70 41.87 34.94 39.83 42.22 13.42 -29.32 -89.04 12.25 -31.64 -87.96 coo 35.63 37.64 46.24 33.55 37.41 46.24 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo 30.05 37.79 50.12 31.66 36.75 49.22 6.68 -34.89 -92.82 7.57 -34.75 -90.92 1ukf_o00 source 1UKF AVIRULENCE PROTEIN AVRPPH3 : 2 hits 1ukf_o00 naa= 3 ULMN 3 2ebf_o00 DERMONECROTIC TOXIN user 1 3 # 1 X1165 CYH A 88 CYH^? 1000.00 X1205 HIS A 21 HIS~? 1000.00 X1220 ASP A 18 ASP~? 1000.00 coo -26.56 24.53 92.56 -24.57 23.58 94.36 18.68 -26.29 -20.51 21.30 -26.44 -21.57 coo -19.40 30.09 91.63 -20.33 29.86 93.49 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo -21.03 32.79 97.44 -20.59 31.13 96.21 26.87 -23.27 -16.72 26.31 -23.96 -18.62 ULMN 3 2ebf_o00 DERMONECROTIC TOXIN user 2 3 # 2 X1165 CYH A 88 CYH^? 1000.00 X1205 HIS A 21 HIS~? 1000.00 X1220 ASP A 19 ASP~? 1000.00 coo -26.56 24.53 92.56 -24.57 23.58 94.36 18.68 -26.29 -20.51 21.30 -26.44 -21.57 coo -19.40 30.09 91.63 -20.33 29.86 93.49 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo -21.03 32.79 97.44 -20.59 31.13 96.21 29.74 -27.57 -15.65 30.35 -27.04 -13.70 ULMN 3 2ebf_o00 DERMONECROTIC TOXIN user 3 3 # 3 X1165 CYH B 88 CYH^? 1000.00 X1205 HIS B 21 HIS^? 1000.00 X1220 ASP B 18 ASP^? 1000.00 coo -26.56 24.53 92.56 -24.57 23.58 94.36 13.42 -29.32 -89.04 12.25 -31.64 -87.96 coo -19.40 30.09 91.63 -20.33 29.86 93.49 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo -21.03 32.79 97.44 -20.59 31.13 96.21 6.68 -34.89 -92.82 7.57 -34.75 -90.92 ULMN 3 2ebf_o00 DERMONECROTIC TOXIN user 4 3 # 4 X1165 CYH B 88 CYH^? 1000.00 X1205 HIS B 21 HIS^? 1000.00 X1220 ASP B 19 ASP^? 1000.00 coo -26.56 24.53 92.56 -24.57 23.58 94.36 13.42 -29.32 -89.04 12.25 -31.64 -87.96 coo -19.40 30.09 91.63 -20.33 29.86 93.49 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo -21.03 32.79 97.44 -20.59 31.13 96.21 8.97 -39.53 -93.90 8.21 -39.80 -95.86 2ebf_o00 source 2EBF DERMONECROTIC TOXIN : 4 hits 2ebf_o00 naa= 3 ULMN 3 2io8_o00 BIFUNCTIONAL GLUTATHIONYLSPERMIDINE user 1 3 # 1 A 59 CYH A 88 CYH^? 1000.00 A 131 HIS A 21 HIS~? 1000.00 A 147 GLU A 86 GLU^? 1000.00 coo 4.62 -21.76 1.74 6.07 -20.80 -0.50 18.68 -26.29 -20.51 21.30 -26.44 -21.57 coo 9.76 -23.46 -1.15 9.10 -24.76 0.37 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo 8.38 -27.41 3.38 10.22 -28.03 2.51 21.78 -27.43 -25.47 23.65 -28.43 -25.48 ULMN 3 2io8_o00 BIFUNCTIONAL GLUTATHIONYLSPERMIDINE user 2 3 # 2 A 59 CYH B 88 CYH^? 1000.00 A 131 HIS B 21 HIS^? 1000.00 A 147 GLU B 86 GLU^? 1000.00 coo 4.62 -21.76 1.74 6.07 -20.80 -0.50 13.42 -29.32 -89.04 12.25 -31.64 -87.96 coo 9.76 -23.46 -1.15 9.10 -24.76 0.37 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo 8.38 -27.41 3.38 10.22 -28.03 2.51 12.86 -32.58 -84.08 12.77 -34.69 -84.08 2io8_o00 source 2IO8 BIFUNCTIONAL GLUTATHIONYLSPERMIDINE : 2 hits 2io8_o00 naa= 3 ULMN 3 2io8_o01 BIFUNCTIONAL GLUTATHIONYLSPERMIDINE user 1 3 # 1 B 59 CYH A 88 CYH^? 1000.00 B 131 HIS A 21 HIS~? 1000.00 B 147 GLU A 86 GLU^? 1000.00 coo -23.62 8.42 38.13 -23.12 8.59 40.92 18.68 -26.29 -20.51 21.30 -26.44 -21.57 coo -24.26 12.74 42.29 -24.88 13.35 40.38 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo -26.18 14.57 36.88 -26.42 16.30 38.13 21.78 -27.43 -25.47 23.65 -28.43 -25.48 ULMN 3 2io8_o01 BIFUNCTIONAL GLUTATHIONYLSPERMIDINE user 2 3 # 2 B 59 CYH B 88 CYH^? 1000.00 B 131 HIS B 21 HIS^? 1000.00 B 147 GLU B 86 GLU^? 1000.00 coo -23.62 8.42 38.13 -23.12 8.59 40.92 13.42 -29.32 -89.04 12.25 -31.64 -87.96 coo -24.26 12.74 42.29 -24.88 13.35 40.38 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo -26.18 14.57 36.88 -26.42 16.30 38.13 12.86 -32.58 -84.08 12.77 -34.69 -84.08 2io8_o01 source 2IO8 BIFUNCTIONAL GLUTATHIONYLSPERMIDINE : 2 hits 2io8_o01 naa= 3 ULMN 3 2io9_o00 BIFUNCTIONAL GLUTATHIONYLSPERMIDINE user 1 3 # 1 A 59 CYH A 88 CYH^? 1000.00 A 131 HIS A 21 HIS~? 1000.00 A 147 GLU A 86 GLU^? 1000.00 coo 4.78 -21.63 1.72 5.87 -20.70 -0.68 18.68 -26.29 -20.51 21.30 -26.44 -21.57 coo 9.63 -23.30 -1.07 9.01 -24.56 0.49 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo 8.17 -27.22 3.40 10.11 -27.89 2.67 21.78 -27.43 -25.47 23.65 -28.43 -25.48 ULMN 3 2io9_o00 BIFUNCTIONAL GLUTATHIONYLSPERMIDINE user 2 3 # 2 A 59 CYH B 88 CYH^? 1000.00 A 131 HIS B 21 HIS^? 1000.00 A 147 GLU B 86 GLU^? 1000.00 coo 4.78 -21.63 1.72 5.87 -20.70 -0.68 13.42 -29.32 -89.04 12.25 -31.64 -87.96 coo 9.63 -23.30 -1.07 9.01 -24.56 0.49 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo 8.17 -27.22 3.40 10.11 -27.89 2.67 12.86 -32.58 -84.08 12.77 -34.69 -84.08 2io9_o00 source 2IO9 BIFUNCTIONAL GLUTATHIONYLSPERMIDINE : 2 hits 2io9_o00 naa= 3 ULMN 3 2io9_o01 BIFUNCTIONAL GLUTATHIONYLSPERMIDINE user 1 3 # 1 B 59 CYH A 88 CYH^? 1000.00 B 131 HIS A 21 HIS~? 1000.00 B 147 GLU A 86 GLU^? 1000.00 coo -23.64 8.52 37.93 -23.29 8.46 40.73 18.68 -26.29 -20.51 21.30 -26.44 -21.57 coo -24.27 12.78 41.98 -24.92 13.24 40.03 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo -26.15 14.67 36.54 -26.29 16.45 37.81 21.78 -27.43 -25.47 23.65 -28.43 -25.48 ULMN 3 2io9_o01 BIFUNCTIONAL GLUTATHIONYLSPERMIDINE user 2 3 # 2 B 59 CYH B 88 CYH^? 1000.00 B 131 HIS B 21 HIS^? 1000.00 B 147 GLU B 86 GLU^? 1000.00 coo -23.64 8.52 37.93 -23.29 8.46 40.73 13.42 -29.32 -89.04 12.25 -31.64 -87.96 coo -24.27 12.78 41.98 -24.92 13.24 40.03 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo -26.15 14.67 36.54 -26.29 16.45 37.81 12.86 -32.58 -84.08 12.77 -34.69 -84.08 2io9_o01 source 2IO9 BIFUNCTIONAL GLUTATHIONYLSPERMIDINE : 2 hits 2io9_o01 naa= 3 ULMN 3 2iob_o00 BIFUNCTIONAL GLUTATHIONYLSPERMIDINE user 1 3 # 1 A 59 CYH A 88 CYH^? 1000.00 A 131 HIS A 21 HIS~? 1000.00 A 147 GLU A 86 GLU^? 1000.00 coo 46.25 -21.66 30.20 48.53 -20.98 31.92 18.68 -26.29 -20.51 21.30 -26.44 -21.57 coo 48.70 -24.47 35.03 47.31 -25.39 33.75 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo 44.38 -27.64 32.53 44.94 -28.52 34.37 21.78 -27.43 -25.47 23.65 -28.43 -25.48 ULMN 3 2iob_o00 BIFUNCTIONAL GLUTATHIONYLSPERMIDINE user 2 3 # 2 A 59 CYH B 88 CYH^? 1000.00 A 131 HIS B 21 HIS^? 1000.00 A 147 GLU B 86 GLU^? 1000.00 coo 46.25 -21.66 30.20 48.53 -20.98 31.92 13.42 -29.32 -89.04 12.25 -31.64 -87.96 coo 48.70 -24.47 35.03 47.31 -25.39 33.75 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo 44.38 -27.64 32.53 44.94 -28.52 34.37 12.86 -32.58 -84.08 12.77 -34.69 -84.08 2iob_o00 source 2IOB BIFUNCTIONAL GLUTATHIONYLSPERMIDINE : 2 hits 2iob_o00 naa= 3 ULMN 3 2odj_o00 PORIN D user 1 3 # 1 A 156 HIS A 21 HIS~? 1000.00 A 208 ASP A 13 ASP.? 1000.00 A 296 SER A 119 SER^? 1000.00 coo 12.72 17.48 24.71 12.80 19.37 23.81 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo 18.47 29.19 29.68 19.30 29.17 27.75 35.39 -17.87 -27.45 36.78 -19.31 -28.08 coo 6.89 17.22 46.63 5.08 16.21 47.91 19.43 -1.94 -17.44 18.78 -2.03 -19.80 ULMN 3 2odj_o00 PORIN D user 2 3 # 2 A 156 HIS A 21 HIS~? 1000.00 A 208 ASP A 64 ASP^? 1000.00 A 296 SER A 55 SER^? 1000.00 coo 12.72 17.48 24.71 12.80 19.37 23.81 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo 18.47 29.19 29.68 19.30 29.17 27.75 29.43 -11.47 -24.77 28.22 -12.20 -26.29 coo 6.89 17.22 46.63 5.08 16.21 47.91 12.49 -19.07 -40.97 11.71 -18.49 -38.78 ULMN 3 2odj_o00 PORIN D user 3 3 # 3 A 156 HIS B 21 HIS^? 1000.00 A 208 ASP B 13 ASP^? 1000.00 A 296 SER B 119 SER^? 1000.00 coo 12.72 17.48 24.71 12.80 19.37 23.81 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo 18.47 29.19 29.68 19.30 29.17 27.75 -2.24 -39.57 -82.10 -1.69 -41.51 -81.47 coo 6.89 17.22 46.63 5.08 16.21 47.91 -8.04 -17.77 -92.09 -7.64 -17.26 -89.74 ULMN 3 2odj_o00 PORIN D user 4 3 # 4 A 156 HIS B 21 HIS^? 1000.00 A 208 ASP B 64 ASP^? 1000.00 A 296 SER B 55 SER^? 1000.00 coo 12.72 17.48 24.71 12.80 19.37 23.81 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo 18.47 29.19 29.68 19.30 29.17 27.75 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 coo 6.89 17.22 46.63 5.08 16.21 47.91 10.19 -20.22 -68.52 10.22 -19.26 -70.78 2odj_o00 source 2ODJ PORIN D : 4 hits 2odj_o00 naa= 3 ULMN 3 2odj_o01 PORIN D user 1 3 # 1 B 156 HIS A 21 HIS~? 1000.00 B 208 ASP A 13 ASP.? 1000.00 B 296 SER A 119 SER^? 1000.00 coo -2.35 -7.60 76.02 -1.45 -9.49 76.24 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo -7.90 -19.74 71.88 -5.88 -19.94 71.25 35.39 -17.87 -27.45 36.78 -19.31 -28.08 coo -24.72 -6.64 81.21 -24.66 -4.26 81.67 19.43 -1.94 -17.44 18.78 -2.03 -19.80 ULMN 3 2odj_o01 PORIN D user 2 3 # 2 B 156 HIS A 21 HIS~? 1000.00 B 208 ASP A 64 ASP^? 1000.00 B 296 SER A 55 SER^? 1000.00 coo -2.35 -7.60 76.02 -1.45 -9.49 76.24 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo -7.90 -19.74 71.88 -5.88 -19.94 71.25 29.43 -11.47 -24.77 28.22 -12.20 -26.29 coo -24.72 -6.64 81.21 -24.66 -4.26 81.67 12.49 -19.07 -40.97 11.71 -18.49 -38.78 ULMN 3 2odj_o01 PORIN D user 3 3 # 3 B 156 HIS B 21 HIS^? 1000.00 B 208 ASP B 13 ASP^? 1000.00 B 296 SER B 119 SER^? 1000.00 coo -2.35 -7.60 76.02 -1.45 -9.49 76.24 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo -7.90 -19.74 71.88 -5.88 -19.94 71.25 -2.24 -39.57 -82.10 -1.69 -41.51 -81.47 coo -24.72 -6.64 81.21 -24.66 -4.26 81.67 -8.04 -17.77 -92.09 -7.64 -17.26 -89.74 ULMN 3 2odj_o01 PORIN D user 4 3 # 4 B 156 HIS B 21 HIS^? 1000.00 B 208 ASP B 64 ASP^? 1000.00 B 296 SER B 55 SER^? 1000.00 coo -2.35 -7.60 76.02 -1.45 -9.49 76.24 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo -7.90 -19.74 71.88 -5.88 -19.94 71.25 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 coo -24.72 -6.64 81.21 -24.66 -4.26 81.67 10.19 -20.22 -68.52 10.22 -19.26 -70.78 2odj_o01 source 2ODJ PORIN D : 4 hits 2odj_o01 naa= 3 ULMN 3 2r11_o00 CARBOXYLESTERASE NP user 1 3 # 1 A 130 SER A 67 SER^? 1000.00 A 166 PHE A 128 PHE^? 1000.00 A 182 PHE A 80 PHE^? 1000.00 coo -46.28 37.24 81.97 -44.96 39.32 82.40 29.87 -9.30 -30.54 29.24 -8.38 -28.41 coo -36.62 39.62 84.60 -38.76 41.24 85.25 22.32 -16.99 -36.28 24.17 -16.12 -34.42 coo -36.55 45.66 79.22 -38.34 43.94 80.53 29.79 -19.45 -38.74 30.65 -16.93 -38.04 ULMN 3 2r11_o00 CARBOXYLESTERASE NP user 2 3 # 2 A 130 SER A 72 SER^? 1000.00 A 166 PHE A 80 PHE^? 1000.00 A 182 PHE A 128 PHE^? 1000.00 coo -46.28 37.24 81.97 -44.96 39.32 82.40 32.15 -8.85 -38.72 34.11 -8.52 -37.35 coo -36.62 39.62 84.60 -38.76 41.24 85.25 29.79 -19.45 -38.74 30.65 -16.93 -38.04 coo -36.55 45.66 79.22 -38.34 43.94 80.53 22.32 -16.99 -36.28 24.17 -16.12 -34.42 ULMN 3 2r11_o00 CARBOXYLESTERASE NP user 3 3 # 3 A 130 SER A 109 SER^? 1000.00 A 166 PHE A 128 PHE^? 1000.00 A 182 PHE A 80 PHE^? 1000.00 coo -46.28 37.24 81.97 -44.96 39.32 82.40 21.83 -9.29 -39.78 19.70 -9.10 -38.63 coo -36.62 39.62 84.60 -38.76 41.24 85.25 22.32 -16.99 -36.28 24.17 -16.12 -34.42 coo -36.55 45.66 79.22 -38.34 43.94 80.53 29.79 -19.45 -38.74 30.65 -16.93 -38.04 ULMN 3 2r11_o00 CARBOXYLESTERASE NP user 4 3 # 4 A 130 SER A 109 SER^? 1000.00 A 166 PHE A 128 PHE^? 1000.00 A 182 PHE A 102 PHE^? 1000.00 coo -46.28 37.24 81.97 -44.96 39.32 82.40 21.83 -9.29 -39.78 19.70 -9.10 -38.63 coo -36.62 39.62 84.60 -38.76 41.24 85.25 22.32 -16.99 -36.28 24.17 -16.12 -34.42 coo -36.55 45.66 79.22 -38.34 43.94 80.53 20.49 -23.92 -36.98 18.27 -23.18 -35.48 ULMN 3 2r11_o00 CARBOXYLESTERASE NP user 5 3 # 5 A 130 SER B 67 SER^? 1000.00 A 166 PHE B 128 PHE^? 1000.00 A 182 PHE B 80 PHE^? 1000.00 coo -46.28 37.24 81.97 -44.96 39.32 82.40 -6.90 -30.50 -78.99 -7.38 -29.51 -81.14 coo -36.62 39.62 84.60 -38.76 41.24 85.25 3.54 -27.82 -73.26 1.86 -28.99 -75.12 coo -36.55 45.66 79.22 -38.34 43.94 80.53 1.93 -35.53 -70.81 -0.68 -35.01 -71.51 ULMN 3 2r11_o00 CARBOXYLESTERASE NP user 6 3 # 6 A 130 SER B 72 SER^? 1000.00 A 166 PHE B 80 PHE^? 1000.00 A 182 PHE B 128 PHE^? 1000.00 coo -46.28 37.24 81.97 -44.96 39.32 82.40 -8.42 -32.26 -70.82 -9.72 -33.77 -72.18 coo -36.62 39.62 84.60 -38.76 41.24 85.25 1.93 -35.53 -70.81 -0.68 -35.01 -71.51 coo -36.55 45.66 79.22 -38.34 43.94 80.53 3.54 -27.82 -73.26 1.86 -28.99 -75.12 ULMN 3 2r11_o00 CARBOXYLESTERASE NP user 7 3 # 7 A 130 SER B 109 SER^? 1000.00 A 166 PHE B 128 PHE^? 1000.00 A 182 PHE B 80 PHE^? 1000.00 coo -46.28 37.24 81.97 -44.96 39.32 82.40 -2.87 -23.54 -69.76 -1.96 -21.61 -70.91 coo -36.62 39.62 84.60 -38.76 41.24 85.25 3.54 -27.82 -73.26 1.86 -28.99 -75.12 coo -36.55 45.66 79.22 -38.34 43.94 80.53 1.93 -35.53 -70.81 -0.68 -35.01 -71.51 ULMN 3 2r11_o00 CARBOXYLESTERASE NP user 8 3 # 8 A 130 SER B 109 SER^? 1000.00 A 166 PHE B 128 PHE^? 1000.00 A 182 PHE B 102 PHE^? 1000.00 coo -46.28 37.24 81.97 -44.96 39.32 82.40 -2.87 -23.54 -69.76 -1.96 -21.61 -70.91 coo -36.62 39.62 84.60 -38.76 41.24 85.25 3.54 -27.82 -73.26 1.86 -28.99 -75.12 coo -36.55 45.66 79.22 -38.34 43.94 80.53 10.47 -29.71 -72.56 10.94 -27.41 -74.06 2r11_o00 source 2R11 CARBOXYLESTERASE NP : 8 hits 2r11_o00 naa= 3 ULMN 3 2r11_o01 CARBOXYLESTERASE NP user 1 3 # 1 B 130 SER A 67 SER^? 1000.00 B 166 PHE A 128 PHE^? 1000.00 B 182 PHE A 80 PHE^? 1000.00 coo -19.94 46.29 97.83 -22.38 46.56 97.60 29.87 -9.30 -30.54 29.24 -8.38 -28.41 coo -29.59 43.40 95.66 -28.22 45.54 94.50 22.32 -16.99 -36.28 24.17 -16.12 -34.42 coo -32.72 50.15 98.46 -30.32 48.85 97.77 29.79 -19.45 -38.74 30.65 -16.93 -38.04 ULMN 3 2r11_o01 CARBOXYLESTERASE NP user 2 3 # 2 B 130 SER A 72 SER^? 1000.00 B 166 PHE A 80 PHE^? 1000.00 B 182 PHE A 128 PHE^? 1000.00 coo -19.94 46.29 97.83 -22.38 46.56 97.60 32.15 -8.85 -38.72 34.11 -8.52 -37.35 coo -29.59 43.40 95.66 -28.22 45.54 94.50 29.79 -19.45 -38.74 30.65 -16.93 -38.04 coo -32.72 50.15 98.46 -30.32 48.85 97.77 22.32 -16.99 -36.28 24.17 -16.12 -34.42 ULMN 3 2r11_o01 CARBOXYLESTERASE NP user 3 3 # 3 B 130 SER A 109 SER^? 1000.00 B 166 PHE A 128 PHE^? 1000.00 B 182 PHE A 80 PHE^? 1000.00 coo -19.94 46.29 97.83 -22.38 46.56 97.60 21.83 -9.29 -39.78 19.70 -9.10 -38.63 coo -29.59 43.40 95.66 -28.22 45.54 94.50 22.32 -16.99 -36.28 24.17 -16.12 -34.42 coo -32.72 50.15 98.46 -30.32 48.85 97.77 29.79 -19.45 -38.74 30.65 -16.93 -38.04 ULMN 3 2r11_o01 CARBOXYLESTERASE NP user 4 3 # 4 B 130 SER A 109 SER^? 1000.00 B 166 PHE A 128 PHE^? 1000.00 B 182 PHE A 102 PHE^? 1000.00 coo -19.94 46.29 97.83 -22.38 46.56 97.60 21.83 -9.29 -39.78 19.70 -9.10 -38.63 coo -29.59 43.40 95.66 -28.22 45.54 94.50 22.32 -16.99 -36.28 24.17 -16.12 -34.42 coo -32.72 50.15 98.46 -30.32 48.85 97.77 20.49 -23.92 -36.98 18.27 -23.18 -35.48 ULMN 3 2r11_o01 CARBOXYLESTERASE NP user 5 3 # 5 B 130 SER B 67 SER^? 1000.00 B 166 PHE B 128 PHE^? 1000.00 B 182 PHE B 80 PHE^? 1000.00 coo -19.94 46.29 97.83 -22.38 46.56 97.60 -6.90 -30.50 -78.99 -7.38 -29.51 -81.14 coo -29.59 43.40 95.66 -28.22 45.54 94.50 3.54 -27.82 -73.26 1.86 -28.99 -75.12 coo -32.72 50.15 98.46 -30.32 48.85 97.77 1.93 -35.53 -70.81 -0.68 -35.01 -71.51 ULMN 3 2r11_o01 CARBOXYLESTERASE NP user 6 3 # 6 B 130 SER B 72 SER^? 1000.00 B 166 PHE B 80 PHE^? 1000.00 B 182 PHE B 128 PHE^? 1000.00 coo -19.94 46.29 97.83 -22.38 46.56 97.60 -8.42 -32.26 -70.82 -9.72 -33.77 -72.18 coo -29.59 43.40 95.66 -28.22 45.54 94.50 1.93 -35.53 -70.81 -0.68 -35.01 -71.51 coo -32.72 50.15 98.46 -30.32 48.85 97.77 3.54 -27.82 -73.26 1.86 -28.99 -75.12 ULMN 3 2r11_o01 CARBOXYLESTERASE NP user 7 3 # 7 B 130 SER B 109 SER^? 1000.00 B 166 PHE B 128 PHE^? 1000.00 B 182 PHE B 80 PHE^? 1000.00 coo -19.94 46.29 97.83 -22.38 46.56 97.60 -2.87 -23.54 -69.76 -1.96 -21.61 -70.91 coo -29.59 43.40 95.66 -28.22 45.54 94.50 3.54 -27.82 -73.26 1.86 -28.99 -75.12 coo -32.72 50.15 98.46 -30.32 48.85 97.77 1.93 -35.53 -70.81 -0.68 -35.01 -71.51 ULMN 3 2r11_o01 CARBOXYLESTERASE NP user 8 3 # 8 B 130 SER B 109 SER^? 1000.00 B 166 PHE B 128 PHE^? 1000.00 B 182 PHE B 102 PHE^? 1000.00 coo -19.94 46.29 97.83 -22.38 46.56 97.60 -2.87 -23.54 -69.76 -1.96 -21.61 -70.91 coo -29.59 43.40 95.66 -28.22 45.54 94.50 3.54 -27.82 -73.26 1.86 -28.99 -75.12 coo -32.72 50.15 98.46 -30.32 48.85 97.77 10.47 -29.71 -72.56 10.94 -27.41 -74.06 2r11_o01 source 2R11 CARBOXYLESTERASE NP : 8 hits 2r11_o01 naa= 3 ULMN 3 2r11_o02 CARBOXYLESTERASE NP user 1 3 # 1 C 130 SER A 72 SER^? 1000.00 C 166 PHE A 80 PHE^? 1000.00 C 182 PHE A 128 PHE^? 1000.00 coo -2.19 64.27 51.12 -3.34 62.10 50.60 32.15 -8.85 -38.72 34.11 -8.52 -37.35 coo -11.14 61.91 46.89 -9.88 60.30 48.76 29.79 -19.45 -38.74 30.65 -16.93 -38.04 coo -7.71 55.92 42.70 -7.18 57.60 44.85 22.32 -16.99 -36.28 24.17 -16.12 -34.42 ULMN 3 2r11_o02 CARBOXYLESTERASE NP user 2 3 # 2 C 130 SER A 109 SER^? 1000.00 C 166 PHE A 128 PHE^? 1000.00 C 182 PHE A 80 PHE^? 1000.00 coo -2.19 64.27 51.12 -3.34 62.10 50.60 21.83 -9.29 -39.78 19.70 -9.10 -38.63 coo -11.14 61.91 46.89 -9.88 60.30 48.76 22.32 -16.99 -36.28 24.17 -16.12 -34.42 coo -7.71 55.92 42.70 -7.18 57.60 44.85 29.79 -19.45 -38.74 30.65 -16.93 -38.04 ULMN 3 2r11_o02 CARBOXYLESTERASE NP user 3 3 # 3 C 130 SER A 109 SER^? 1000.00 C 166 PHE A 128 PHE^? 1000.00 C 182 PHE A 102 PHE^? 1000.00 coo -2.19 64.27 51.12 -3.34 62.10 50.60 21.83 -9.29 -39.78 19.70 -9.10 -38.63 coo -11.14 61.91 46.89 -9.88 60.30 48.76 22.32 -16.99 -36.28 24.17 -16.12 -34.42 coo -7.71 55.92 42.70 -7.18 57.60 44.85 20.49 -23.92 -36.98 18.27 -23.18 -35.48 ULMN 3 2r11_o02 CARBOXYLESTERASE NP user 4 3 # 4 C 130 SER B 55 SER^? 1000.00 C 166 PHE B 102 PHE^? 1000.00 C 182 PHE B 128 PHE^? 1000.00 coo -2.19 64.27 51.12 -3.34 62.10 50.60 10.19 -20.22 -68.52 10.22 -19.26 -70.78 coo -11.14 61.91 46.89 -9.88 60.30 48.76 10.47 -29.71 -72.56 10.94 -27.41 -74.06 coo -7.71 55.92 42.70 -7.18 57.60 44.85 3.54 -27.82 -73.26 1.86 -28.99 -75.12 ULMN 3 2r11_o02 CARBOXYLESTERASE NP user 5 3 # 5 C 130 SER B 72 SER^? 1000.00 C 166 PHE B 80 PHE^? 1000.00 C 182 PHE B 128 PHE^? 1000.00 coo -2.19 64.27 51.12 -3.34 62.10 50.60 -8.42 -32.26 -70.82 -9.72 -33.77 -72.18 coo -11.14 61.91 46.89 -9.88 60.30 48.76 1.93 -35.53 -70.81 -0.68 -35.01 -71.51 coo -7.71 55.92 42.70 -7.18 57.60 44.85 3.54 -27.82 -73.26 1.86 -28.99 -75.12 ULMN 3 2r11_o02 CARBOXYLESTERASE NP user 6 3 # 6 C 130 SER B 109 SER^? 1000.00 C 166 PHE B 128 PHE^? 1000.00 C 182 PHE B 80 PHE^? 1000.00 coo -2.19 64.27 51.12 -3.34 62.10 50.60 -2.87 -23.54 -69.76 -1.96 -21.61 -70.91 coo -11.14 61.91 46.89 -9.88 60.30 48.76 3.54 -27.82 -73.26 1.86 -28.99 -75.12 coo -7.71 55.92 42.70 -7.18 57.60 44.85 1.93 -35.53 -70.81 -0.68 -35.01 -71.51 ULMN 3 2r11_o02 CARBOXYLESTERASE NP user 7 3 # 7 C 130 SER B 109 SER^? 1000.00 C 166 PHE B 128 PHE^? 1000.00 C 182 PHE B 102 PHE^? 1000.00 coo -2.19 64.27 51.12 -3.34 62.10 50.60 -2.87 -23.54 -69.76 -1.96 -21.61 -70.91 coo -11.14 61.91 46.89 -9.88 60.30 48.76 3.54 -27.82 -73.26 1.86 -28.99 -75.12 coo -7.71 55.92 42.70 -7.18 57.60 44.85 10.47 -29.71 -72.56 10.94 -27.41 -74.06 2r11_o02 source 2R11 CARBOXYLESTERASE NP : 7 hits 2r11_o02 naa= 3 ULMN 3 2r11_o03 CARBOXYLESTERASE NP user 1 3 # 1 D 130 SER A 67 SER^? 1000.00 D 166 PHE A 128 PHE^? 1000.00 D 182 PHE A 80 PHE^? 1000.00 coo -32.42 55.27 46.18 -30.51 54.94 47.67 29.87 -9.30 -30.54 29.24 -8.38 -28.41 coo -23.62 58.20 50.84 -23.76 56.14 48.96 22.32 -16.99 -36.28 24.17 -16.12 -34.42 coo -23.08 51.44 54.96 -24.43 52.71 52.88 29.79 -19.45 -38.74 30.65 -16.93 -38.04 ULMN 3 2r11_o03 CARBOXYLESTERASE NP user 2 3 # 2 D 130 SER A 72 SER^? 1000.00 D 166 PHE A 80 PHE^? 1000.00 D 182 PHE A 128 PHE^? 1000.00 coo -32.42 55.27 46.18 -30.51 54.94 47.67 32.15 -8.85 -38.72 34.11 -8.52 -37.35 coo -23.62 58.20 50.84 -23.76 56.14 48.96 29.79 -19.45 -38.74 30.65 -16.93 -38.04 coo -23.08 51.44 54.96 -24.43 52.71 52.88 22.32 -16.99 -36.28 24.17 -16.12 -34.42 ULMN 3 2r11_o03 CARBOXYLESTERASE NP user 3 3 # 3 D 130 SER A 109 SER^? 1000.00 D 166 PHE A 128 PHE^? 1000.00 D 182 PHE A 80 PHE^? 1000.00 coo -32.42 55.27 46.18 -30.51 54.94 47.67 21.83 -9.29 -39.78 19.70 -9.10 -38.63 coo -23.62 58.20 50.84 -23.76 56.14 48.96 22.32 -16.99 -36.28 24.17 -16.12 -34.42 coo -23.08 51.44 54.96 -24.43 52.71 52.88 29.79 -19.45 -38.74 30.65 -16.93 -38.04 ULMN 3 2r11_o03 CARBOXYLESTERASE NP user 4 3 # 4 D 130 SER A 109 SER^? 1000.00 D 166 PHE A 128 PHE^? 1000.00 D 182 PHE A 102 PHE^? 1000.00 coo -32.42 55.27 46.18 -30.51 54.94 47.67 21.83 -9.29 -39.78 19.70 -9.10 -38.63 coo -23.62 58.20 50.84 -23.76 56.14 48.96 22.32 -16.99 -36.28 24.17 -16.12 -34.42 coo -23.08 51.44 54.96 -24.43 52.71 52.88 20.49 -23.92 -36.98 18.27 -23.18 -35.48 ULMN 3 2r11_o03 CARBOXYLESTERASE NP user 5 3 # 5 D 130 SER B 67 SER^? 1000.00 D 166 PHE B 128 PHE^? 1000.00 D 182 PHE B 80 PHE^? 1000.00 coo -32.42 55.27 46.18 -30.51 54.94 47.67 -6.90 -30.50 -78.99 -7.38 -29.51 -81.14 coo -23.62 58.20 50.84 -23.76 56.14 48.96 3.54 -27.82 -73.26 1.86 -28.99 -75.12 coo -23.08 51.44 54.96 -24.43 52.71 52.88 1.93 -35.53 -70.81 -0.68 -35.01 -71.51 ULMN 3 2r11_o03 CARBOXYLESTERASE NP user 6 3 # 6 D 130 SER B 72 SER^? 1000.00 D 166 PHE B 80 PHE^? 1000.00 D 182 PHE B 128 PHE^? 1000.00 coo -32.42 55.27 46.18 -30.51 54.94 47.67 -8.42 -32.26 -70.82 -9.72 -33.77 -72.18 coo -23.62 58.20 50.84 -23.76 56.14 48.96 1.93 -35.53 -70.81 -0.68 -35.01 -71.51 coo -23.08 51.44 54.96 -24.43 52.71 52.88 3.54 -27.82 -73.26 1.86 -28.99 -75.12 ULMN 3 2r11_o03 CARBOXYLESTERASE NP user 7 3 # 7 D 130 SER B 109 SER^? 1000.00 D 166 PHE B 128 PHE^? 1000.00 D 182 PHE B 80 PHE^? 1000.00 coo -32.42 55.27 46.18 -30.51 54.94 47.67 -2.87 -23.54 -69.76 -1.96 -21.61 -70.91 coo -23.62 58.20 50.84 -23.76 56.14 48.96 3.54 -27.82 -73.26 1.86 -28.99 -75.12 coo -23.08 51.44 54.96 -24.43 52.71 52.88 1.93 -35.53 -70.81 -0.68 -35.01 -71.51 ULMN 3 2r11_o03 CARBOXYLESTERASE NP user 8 3 # 8 D 130 SER B 109 SER^? 1000.00 D 166 PHE B 128 PHE^? 1000.00 D 182 PHE B 102 PHE^? 1000.00 coo -32.42 55.27 46.18 -30.51 54.94 47.67 -2.87 -23.54 -69.76 -1.96 -21.61 -70.91 coo -23.62 58.20 50.84 -23.76 56.14 48.96 3.54 -27.82 -73.26 1.86 -28.99 -75.12 coo -23.08 51.44 54.96 -24.43 52.71 52.88 10.47 -29.71 -72.56 10.94 -27.41 -74.06 2r11_o03 source 2R11 CARBOXYLESTERASE NP : 8 hits 2r11_o03 naa= 3 ULMN 3 2wwt_o00 INTRACELLULAR SUBTILISIN PROTEASE user 1 3 # 1 A 49 ASP A 18 ASP~? 1000.00 A 86 HIS A 21 HIS~? 1000.00 A 250 ALA A 96 ALA^? 1000.00 coo 18.89 -28.09 25.11 19.05 -26.61 23.60 26.87 -23.27 -16.72 26.31 -23.96 -18.62 coo 21.50 -24.76 21.11 19.82 -23.58 21.50 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo 16.40 -19.57 19.82 17.00 -20.87 19.22 19.10 -29.71 -22.50 20.08 -29.54 -23.63 ULMN 3 2wwt_o00 INTRACELLULAR SUBTILISIN PROTEASE user 2 3 # 2 A 49 ASP B 18 ASP^? 1000.00 A 86 HIS B 21 HIS^? 1000.00 A 250 ALA B 96 ALA^? 1000.00 coo 18.89 -28.09 25.11 19.05 -26.61 23.60 6.68 -34.89 -92.82 7.57 -34.75 -90.92 coo 21.50 -24.76 21.11 19.82 -23.58 21.50 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo 16.40 -19.57 19.82 17.00 -20.87 19.22 16.17 -31.39 -87.06 15.53 -32.16 -85.92 2wwt_o00 source 2WWT INTRACELLULAR SUBTILISIN PROTEASE : 2 hits 2wwt_o00 naa= 3 ULMN 3 2wwt_o01 INTRACELLULAR SUBTILISIN PROTEASE user 1 3 # 1 B 49 ASP A 18 ASP~? 1000.00 B 86 HIS A 21 HIS~? 1000.00 B 250 ALA A 96 ALA^? 1000.00 coo -25.60 -8.15 41.87 -24.93 -7.05 43.55 26.87 -23.27 -16.72 26.31 -23.96 -18.62 coo -24.87 -3.97 45.59 -22.79 -4.09 45.73 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo -17.45 -4.02 46.78 -18.80 -4.41 47.26 19.10 -29.71 -22.50 20.08 -29.54 -23.63 ULMN 3 2wwt_o01 INTRACELLULAR SUBTILISIN PROTEASE user 2 3 # 2 B 49 ASP B 18 ASP^? 1000.00 B 86 HIS B 21 HIS^? 1000.00 B 250 ALA B 96 ALA^? 1000.00 coo -25.60 -8.15 41.87 -24.93 -7.05 43.55 6.68 -34.89 -92.82 7.57 -34.75 -90.92 coo -24.87 -3.97 45.59 -22.79 -4.09 45.73 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo -17.45 -4.02 46.78 -18.80 -4.41 47.26 16.17 -31.39 -87.06 15.53 -32.16 -85.92 2wwt_o01 source 2WWT INTRACELLULAR SUBTILISIN PROTEASE : 2 hits 2wwt_o01 naa= 3 ULMN 3 2wwt_o02 INTRACELLULAR SUBTILISIN PROTEASE user 1 3 # 1 C 49 ASP A 18 ASP~? 1000.00 C 86 HIS A 21 HIS~? 1000.00 C 250 ALA A 96 ALA^? 1000.00 coo 52.29 -8.84 6.54 53.45 -9.52 8.16 26.87 -23.27 -16.72 26.31 -23.96 -18.62 coo 56.78 -9.42 10.42 56.27 -11.41 10.02 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo 56.74 -16.59 11.78 56.33 -15.18 12.23 19.10 -29.71 -22.50 20.08 -29.54 -23.63 ULMN 3 2wwt_o02 INTRACELLULAR SUBTILISIN PROTEASE user 2 3 # 2 C 49 ASP B 18 ASP^? 1000.00 C 86 HIS B 21 HIS^? 1000.00 C 250 ALA B 96 ALA^? 1000.00 coo 52.29 -8.84 6.54 53.45 -9.52 8.16 6.68 -34.89 -92.82 7.57 -34.75 -90.92 coo 56.78 -9.42 10.42 56.27 -11.41 10.02 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo 56.74 -16.59 11.78 56.33 -15.18 12.23 16.17 -31.39 -87.06 15.53 -32.16 -85.92 2wwt_o02 source 2WWT INTRACELLULAR SUBTILISIN PROTEASE : 2 hits 2wwt_o02 naa= 3 ULMN 3 2wwt_o03 INTRACELLULAR SUBTILISIN PROTEASE user 1 3 # 1 D 49 ASP A 18 ASP~? 1000.00 D 86 HIS A 21 HIS~? 1000.00 D 250 ALA A 96 ALA^? 1000.00 coo 33.58 -54.23 -8.77 34.81 -54.76 -10.41 26.87 -23.27 -16.72 26.31 -23.96 -18.62 coo 36.78 -56.86 -12.59 37.95 -55.16 -12.26 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo 41.85 -51.50 -13.98 40.55 -52.02 -14.52 19.10 -29.71 -22.50 20.08 -29.54 -23.63 ULMN 3 2wwt_o03 INTRACELLULAR SUBTILISIN PROTEASE user 2 3 # 2 D 49 ASP B 18 ASP^? 1000.00 D 86 HIS B 21 HIS^? 1000.00 D 250 ALA B 96 ALA^? 1000.00 coo 33.58 -54.23 -8.77 34.81 -54.76 -10.41 6.68 -34.89 -92.82 7.57 -34.75 -90.92 coo 36.78 -56.86 -12.59 37.95 -55.16 -12.26 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo 41.85 -51.50 -13.98 40.55 -52.02 -14.52 16.17 -31.39 -87.06 15.53 -32.16 -85.92 2wwt_o03 source 2WWT INTRACELLULAR SUBTILISIN PROTEASE : 2 hits 2wwt_o03 naa= 3 ULMN 3 2wwt_o04 INTRACELLULAR SUBTILISIN PROTEASE user 1 3 # 1 E 49 ASP A 18 ASP~? 1000.00 E 86 HIS A 21 HIS~? 1000.00 E 250 ALA A 96 ALA^? 1000.00 coo -36.18 24.97 18.78 -36.93 26.11 17.11 26.87 -23.27 -16.72 26.31 -23.96 -18.62 coo -36.85 29.32 15.06 -38.90 29.14 15.48 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo -44.49 29.68 13.98 -43.47 28.67 13.52 19.10 -29.71 -22.50 20.08 -29.54 -23.63 ULMN 3 2wwt_o04 INTRACELLULAR SUBTILISIN PROTEASE user 2 3 # 2 E 49 ASP B 18 ASP^? 1000.00 E 86 HIS B 21 HIS^? 1000.00 E 250 ALA B 96 ALA^? 1000.00 coo -36.18 24.97 18.78 -36.93 26.11 17.11 6.68 -34.89 -92.82 7.57 -34.75 -90.92 coo -36.85 29.32 15.06 -38.90 29.14 15.48 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo -44.49 29.68 13.98 -43.47 28.67 13.52 16.17 -31.39 -87.06 15.53 -32.16 -85.92 2wwt_o04 source 2WWT INTRACELLULAR SUBTILISIN PROTEASE : 2 hits 2wwt_o04 naa= 3 ULMN 3 2wwt_o05 INTRACELLULAR SUBTILISIN PROTEASE user 1 3 # 1 F 49 ASP A 18 ASP~? 1000.00 F 86 HIS A 21 HIS~? 1000.00 F 250 ALA A 96 ALA^? 1000.00 coo -82.12 8.55 35.60 -81.93 9.84 37.19 26.87 -23.27 -16.72 26.31 -23.96 -18.62 coo -84.21 11.81 39.90 -82.43 12.70 39.26 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo -78.49 17.13 41.31 -79.25 15.85 41.61 19.10 -29.71 -22.50 20.08 -29.54 -23.63 ULMN 3 2wwt_o05 INTRACELLULAR SUBTILISIN PROTEASE user 2 3 # 2 F 49 ASP B 18 ASP^? 1000.00 F 86 HIS B 21 HIS^? 1000.00 F 250 ALA B 96 ALA^? 1000.00 coo -82.12 8.55 35.60 -81.93 9.84 37.19 6.68 -34.89 -92.82 7.57 -34.75 -90.92 coo -84.21 11.81 39.90 -82.43 12.70 39.26 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo -78.49 17.13 41.31 -79.25 15.85 41.61 16.17 -31.39 -87.06 15.53 -32.16 -85.92 2wwt_o05 source 2WWT INTRACELLULAR SUBTILISIN PROTEASE : 2 hits 2wwt_o05 naa= 3 ULMN 3 3b21_o00 SHIGELLA FLEXNERI EFFECTOR OSPI user 1 3 # 1 A 62 CYH A 88 CYH^? 1000.00 A 145 HIS A 21 HIS~? 1000.00 A 160 ASP A 18 ASP~? 1000.00 coo 9.35 16.69 -4.00 10.08 14.08 -3.37 18.68 -26.29 -20.51 21.30 -26.44 -21.57 coo 12.85 24.01 -5.47 14.14 22.37 -5.23 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo 18.70 21.56 -2.53 17.15 21.34 -3.98 26.87 -23.27 -16.72 26.31 -23.96 -18.62 ULMN 3 3b21_o00 SHIGELLA FLEXNERI EFFECTOR OSPI user 2 3 # 2 A 62 CYH A 88 CYH^? 1000.00 A 145 HIS A 21 HIS~? 1000.00 A 160 ASP A 19 ASP~? 1000.00 coo 9.35 16.69 -4.00 10.08 14.08 -3.37 18.68 -26.29 -20.51 21.30 -26.44 -21.57 coo 12.85 24.01 -5.47 14.14 22.37 -5.23 26.02 -25.01 -22.11 24.46 -26.35 -22.53 coo 18.70 21.56 -2.53 17.15 21.34 -3.98 29.74 -27.57 -15.65 30.35 -27.04 -13.70 ULMN 3 3b21_o00 SHIGELLA FLEXNERI EFFECTOR OSPI user 3 3 # 3 A 62 CYH B 88 CYH^? 1000.00 A 145 HIS B 21 HIS^? 1000.00 A 160 ASP B 18 ASP^? 1000.00 coo 9.35 16.69 -4.00 10.08 14.08 -3.37 13.42 -29.32 -89.04 12.25 -31.64 -87.96 coo 12.85 24.01 -5.47 14.14 22.37 -5.23 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo 18.70 21.56 -2.53 17.15 21.34 -3.98 6.68 -34.89 -92.82 7.57 -34.75 -90.92 ULMN 3 3b21_o00 SHIGELLA FLEXNERI EFFECTOR OSPI user 4 3 # 4 A 62 CYH B 88 CYH^? 1000.00 A 145 HIS B 21 HIS^? 1000.00 A 160 ASP B 19 ASP^? 1000.00 coo 9.35 16.69 -4.00 10.08 14.08 -3.37 13.42 -29.32 -89.04 12.25 -31.64 -87.96 coo 12.85 24.01 -5.47 14.14 22.37 -5.23 8.62 -35.03 -87.45 10.56 -34.35 -87.03 coo 18.70 21.56 -2.53 17.15 21.34 -3.98 8.97 -39.53 -93.90 8.21 -39.80 -95.86 3b21_o00 source 3B21 SHIGELLA FLEXNERI EFFECTOR OSPI : 4 hits 3b21_o00 naa= 3 ULMN 3 3hde_o00 LYSOZYME user 1 3 # 1 A 35 GLU A 86 GLU^? 1000.00 A 44 ASP A 4 ASP^? 1000.00 A 50 THR A 89 THR^? 1000.00 coo 3.19 -22.62 -21.80 4.26 -21.93 -23.46 21.78 -27.43 -25.47 23.65 -28.43 -25.48 coo -3.28 -18.53 -28.91 -2.33 -19.01 -30.75 19.46 -21.33 -18.77 18.88 -20.63 -16.86 coo -4.91 -24.14 -27.53 -3.37 -22.71 -27.06 16.50 -26.80 -17.44 16.12 -28.90 -17.35 ULMN 3 3hde_o00 LYSOZYME user 2 3 # 2 A 35 GLU B 86 GLU^? 1000.00 A 44 ASP B 4 ASP^? 1000.00 A 50 THR B 89 THR^? 1000.00 coo 3.19 -22.62 -21.80 4.26 -21.93 -23.46 12.86 -32.58 -84.08 12.77 -34.69 -84.08 coo -3.28 -18.53 -28.91 -2.33 -19.01 -30.75 8.72 -27.52 -90.78 8.40 -26.67 -92.69 coo -4.91 -24.14 -27.53 -3.37 -22.71 -27.06 14.94 -27.68 -92.11 16.94 -28.40 -92.22 3hde_o00 source 3HDE LYSOZYME : 2 hits 3hde_o00 naa= 3 ULMN 3 3iu0_o00 PROTEIN-GLUTAMINE GAMMA-GLUTAMYLTRANuser 1 3 # 1 A 110 CYH A 88 CYH^? 1000.00 A 301 ASP A 4 ASP^? 1000.00 A 320 HIS A 21 HIS~? 1000.00 coo -1.82 -20.48 -11.98 0.91 -20.78 -13.68 18.68 -26.29 -20.51 21.30 -26.44 -21.57 coo -1.58 -17.18 -17.34 -1.56 -16.12 -15.50 19.46 -21.33 -18.77 18.88 -20.63 -16.86 coo -4.05 -14.06 -11.86 -3.22 -12.14 -12.04 26.02 -25.01 -22.11 24.46 -26.35 -22.53 ULMN 3 3iu0_o00 PROTEIN-GLUTAMINE GAMMA-GLUTAMYLTRANuser 2 3 # 2 A 110 CYH B 88 CYH^? 1000.00 A 301 ASP B 4 ASP^? 1000.00 A 320 HIS B 21 HIS^? 1000.00 coo -1.82 -20.48 -11.98 0.91 -20.78 -13.68 13.42 -29.32 -89.04 12.25 -31.64 -87.96 coo -1.58 -17.18 -17.34 -1.56 -16.12 -15.50 8.72 -27.52 -90.78 8.40 -26.67 -92.69 coo -4.05 -14.06 -11.86 -3.22 -12.14 -12.04 8.62 -35.03 -87.45 10.56 -34.35 -87.03 3iu0_o00 source 3IU0 PROTEIN-GLUTAMINE GAMMA-GLUTAMYLTRANSFERASE : 2 hits 3iu0_o00 naa= 3 ULMN 3 3uao_o07 PUTATIVE ISOCHORISMATASE user 1 3 # 1 H 28 VAL A 12 VAL.? 1000.00 H 117 LYS A 23 LYS.? 1000.00 H 150 CYH A 65 CYH^? 1000.00 coo 45.82 27.58 23.40 45.30 28.87 21.66 33.58 -18.12 -31.96 32.15 -17.13 -33.31 coo 38.01 32.08 28.20 39.46 29.85 23.57 32.67 -20.15 -23.43 38.88 -20.02 -24.22 coo 41.19 29.62 18.76 39.21 28.51 20.32 33.16 -11.23 -26.53 33.12 -13.74 -25.43 ULMN 3 3uao_o07 PUTATIVE ISOCHORISMATASE user 2 3 # 2 H 28 VAL B 12 VAL^? 1000.00 H 117 LYS B 23 LYS^? 1000.00 H 150 CYH B 65 CYH^? 1000.00 coo 45.82 27.58 23.40 45.30 28.87 21.66 -1.11 -38.13 -77.59 -1.27 -36.40 -76.24 coo 38.01 32.08 28.20 39.46 29.85 23.57 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 coo 41.19 29.62 18.76 39.21 28.51 20.32 -6.88 -34.31 -83.01 -4.68 -35.50 -84.10 3uao_o07 source 3UAO PUTATIVE ISOCHORISMATASE : 2 hits 3uao_o07 naa= 3