*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 10 3 RMSD = 0.86 A TRANSFORM 0.2566 0.9128 0.3177 -0.0261 -0.3220 0.9464 -0.9662 0.2511 0.0588 35.280 16.394 14.539 A 229 ALA B 38 ALA~? A 257 ALA B 42 ALA~? A 328 ASP B 115 ASP~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 7 3 RMSD = 0.90 A TRANSFORM 0.1546 -0.5701 -0.8069 0.4385 0.7715 -0.4610 -0.8854 0.2825 -0.3692 70.938 25.559 43.448 A 67 ASP B 93 ASP^? A 68 ALA B 105 ALA.? A 72 LEU B 106 LEU^? ULMNm 3 2wwt_o02 INTRACELLULAR SUBTILISIN PROTEASE user 3 3 RMSD = 0.92 A TRANSFORM -0.5307 -0.8037 0.2693 0.5406 -0.0762 0.8378 0.6528 -0.5902 -0.4749 52.178 -24.868 18.572 C 49 ASP A 115 ASP~? C 86 HIS A 58 HIS~? C 250 ALA A 42 ALA~? ULMNm 3 4mdh_c03 CYTOPLASMIC MALATE DEHYDROGENASE (E.user 1 3 RMSD = 0.92 A TRANSFORM -0.1176 -0.8733 0.4728 0.7219 -0.4021 -0.5632 -0.6820 -0.2751 -0.6777 40.020 29.947 43.440 B 158 ASP A 115 ASP~? B 161 ARG A 112 ARG~? B 186 HIS A 58 HIS~? ULMNm 3 1qol_c04 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 0.93 A TRANSFORM 0.8419 -0.3801 -0.3830 -0.4575 -0.8792 -0.1333 0.2860 -0.2875 0.9141 12.012 -14.735 -58.282 E 51 ALA A 42 ALA~? E 148 HIS A 58 HIS~? E 163 ASP A 115 ASP~? ULMNm 3 1qol_c00 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 0.93 A TRANSFORM 0.4468 0.8945 -0.0159 0.8261 -0.4193 -0.3766 0.3435 -0.1552 0.9262 2.088 25.556 11.506 A 51 ALA A 42 ALA~? A 148 HIS A 58 HIS~? A 163 ASP A 115 ASP~? ULMNm 3 1qol_c04 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 3 3 RMSD = 0.94 A TRANSFORM -0.8304 0.5101 -0.2243 0.4947 0.8601 0.1245 -0.2564 0.0075 0.9665 16.682 -23.209 -56.682 E 51 ALA B 42 ALA~? E 148 HIS B 58 HIS~? E 163 ASP B 115 ASP~? ULMNm 3 2wwt_o05 INTRACELLULAR SUBTILISIN PROTEASE user 3 3 RMSD = 0.96 A TRANSFORM 0.0828 0.5257 -0.8466 -0.8103 -0.4590 -0.3643 0.5802 -0.7162 -0.3879 -68.769 18.948 46.659 F 49 ASP A 115 ASP~? F 86 HIS A 58 HIS~? F 250 ALA A 42 ALA~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 4 3 RMSD = 0.96 A TRANSFORM -0.1667 0.8815 -0.4417 -0.2997 -0.4721 -0.8291 0.9394 0.0058 -0.3429 63.030 38.458 32.415 A 67 ASP A 93 ASP.? A 68 ALA A 105 ALA.? A 72 LEU A 106 LEU^? ULMNm 3 1qol_c03 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 0.97 A TRANSFORM 0.0296 0.9990 0.0334 -0.9866 0.0239 0.1617 -0.1607 0.0377 -0.9863 -6.982 -23.102 67.012 D 51 ALA A 42 ALA~? D 148 HIS A 58 HIS~? D 163 ASP A 115 ASP~? ULMNm 3 2wwt_o01 INTRACELLULAR SUBTILISIN PROTEASE user 3 3 RMSD = 0.98 A TRANSFORM -0.5198 0.0186 -0.8541 -0.5181 -0.8018 0.2978 0.6793 -0.5973 -0.4264 -9.006 -8.867 53.092 B 49 ASP A 115 ASP~? B 86 HIS A 58 HIS~? B 250 ALA A 42 ALA~? ULMNm 3 1qol_c00 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 5 3 RMSD = 0.98 A TRANSFORM -0.4907 -0.8275 -0.2729 -0.8114 0.5481 -0.2029 -0.3175 -0.1218 0.9404 10.487 29.831 14.251 A 51 ALA B 42 ALA~? A 148 HIS B 58 HIS~? A 163 ASP B 115 ASP~? ULMNm 3 2wwt_o02 INTRACELLULAR SUBTILISIN PROTEASE user 6 3 RMSD = 0.98 A TRANSFORM 0.5813 0.6583 0.4782 -0.5188 -0.1529 0.8411 -0.6268 0.7371 -0.2527 43.794 -20.187 20.436 C 49 ASP B 115 ASP~? C 86 HIS B 58 HIS~? C 250 ALA B 42 ALA~? ULMNm 3 1qol_c05 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 0.98 A TRANSFORM 0.8296 -0.4138 -0.3749 0.4905 0.8609 0.1353 -0.2668 0.2961 -0.9171 11.733 14.331 -3.848 F 51 ALA A 42 ALA~? F 148 HIS A 58 HIS~? F 163 ASP A 115 ASP~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 1 3 RMSD = 0.98 A TRANSFORM -0.2074 -0.9773 0.0441 0.0399 0.0366 0.9985 0.9774 -0.2088 -0.0314 41.988 15.001 7.573 A 229 ALA A 38 ALA~? A 257 ALA A 42 ALA~? A 328 ASP A 115 ASP~? ULMNm 3 2wwt_o00 INTRACELLULAR SUBTILISIN PROTEASE user 3 3 RMSD = 0.99 A TRANSFORM -0.0566 -0.5988 0.7989 -0.7850 -0.4677 -0.4062 -0.6169 0.6502 0.4436 7.027 -16.924 13.425 A 49 ASP A 115 ASP~? A 86 HIS A 58 HIS~? A 250 ALA A 42 ALA~? ULMNm 3 2wwt_o00 INTRACELLULAR SUBTILISIN PROTEASE user 3 3 RMSD = 0.99 A TRANSFORM -0.0566 -0.5988 0.7989 -0.7850 -0.4677 -0.4062 -0.6169 0.6502 0.4436 7.027 -16.924 13.425 A 49 ASP A 115 ASP~? A 86 HIS A 58 HIS~? A 250 ALA A 42 ALA~? ULMNm 3 1ddj_c14 PLASMINOGEN user 1 3 RMSD = 0.99 A TRANSFORM -0.0065 -0.3843 -0.9232 0.7631 0.5948 -0.2529 -0.6463 0.7061 -0.2894 30.383 65.439 65.434 C 603 HIS A 58 HIS~? C 646 ASP A 59 ASP~? C 739 GLY A 124 GLY~? ULMNm 3 2wwt_o04 INTRACELLULAR SUBTILISIN PROTEASE user 3 3 RMSD = 0.99 A TRANSFORM 0.4962 -0.0267 0.8678 -0.5176 -0.8115 0.2711 -0.6970 0.5837 0.4165 -53.083 24.838 7.868 E 49 ASP A 115 ASP~? E 86 HIS A 58 HIS~? E 250 ALA A 42 ALA~? ULMNm 3 1qol_c06 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 1.00 A TRANSFORM -0.9957 0.0474 0.0802 -0.0402 -0.9953 0.0884 -0.0840 -0.0847 -0.9929 -36.201 -12.525 -2.727 G 51 ALA A 42 ALA~? G 148 HIS A 58 HIS~? G 163 ASP A 115 ASP~? ULMNm 3 2wwt_o05 INTRACELLULAR SUBTILISIN PROTEASE user 9 3 RMSD = 1.01 A TRANSFORM -0.1309 -0.2421 -0.9614 0.8281 0.5064 -0.2403 -0.5450 0.8276 -0.1343 -65.966 9.616 47.321 F 49 ASP B 115 ASP~? F 86 HIS B 58 HIS~? F 250 ALA B 42 ALA~? ULMNm 3 1qol_c01 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 1.01 A TRANSFORM -0.4493 -0.8933 -0.0120 0.8094 -0.4013 -0.4288 -0.3782 0.2024 -0.9033 -34.135 26.740 64.185 B 51 ALA A 42 ALA~? B 148 HIS A 58 HIS~? B 163 ASP A 115 ASP~? ULMNm 3 2wwt_o03 INTRACELLULAR SUBTILISIN PROTEASE user 3 3 RMSD = 1.01 A TRANSFORM -0.7704 -0.5307 -0.3532 -0.0305 0.5841 -0.8111 -0.6368 0.6141 0.4662 43.841 -42.148 -20.698 D 49 ASP A 115 ASP~? D 86 HIS A 58 HIS~? D 250 ALA A 42 ALA~? ULMNm 3 1qol_c03 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 4 3 RMSD = 1.02 A TRANSFORM -0.0778 -0.9592 -0.2718 0.9873 -0.1120 0.1126 0.1385 0.2596 -0.9557 -1.429 -30.948 65.113 D 51 ALA B 42 ALA~? D 148 HIS B 58 HIS~? D 163 ASP B 115 ASP~? ULMNm 3 1qol_c06 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 3 3 RMSD = 1.02 A TRANSFORM 0.9937 -0.1091 0.0266 0.0903 0.9175 0.3874 0.0667 0.3826 -0.9215 -44.048 -18.066 -4.645 G 51 ALA B 42 ALA~? G 148 HIS B 58 HIS~? G 163 ASP B 115 ASP~? ULMNm 3 1qol_c05 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 4 3 RMSD = 1.02 A TRANSFORM -0.8156 0.5419 -0.2030 -0.5293 -0.8404 -0.1165 0.2337 -0.0124 -0.9722 16.071 23.014 -5.204 F 51 ALA B 42 ALA~? F 148 HIS B 58 HIS~? F 163 ASP B 115 ASP~? ULMNm 3 2wwt_o00 INTRACELLULAR SUBTILISIN PROTEASE user 6 3 RMSD = 1.03 A TRANSFORM 0.1100 0.3261 0.9389 0.8032 0.5272 -0.2772 0.5854 -0.7847 0.2039 3.993 -26.128 12.192 A 49 ASP B 115 ASP~? A 86 HIS B 58 HIS~? A 250 ALA B 42 ALA~? ULMNm 3 2wwt_o00 INTRACELLULAR SUBTILISIN PROTEASE user 6 3 RMSD = 1.03 A TRANSFORM 0.1100 0.3261 0.9389 0.8032 0.5272 -0.2772 0.5854 -0.7847 0.2039 3.993 -26.128 12.192 A 49 ASP B 115 ASP~? A 86 HIS B 58 HIS~? A 250 ALA B 42 ALA~? ULMNm 3 1emh_d00 HYDROLASE/DNA user 1 3 RMSD = 1.03 A TRANSFORM 0.8613 0.0731 0.5028 0.4681 -0.4988 -0.7294 -0.1975 -0.8636 0.4638 15.786 7.586 20.459 A 271 PRO A 18 PRO^? A 272 LEU A 11 LEU^? A 276 ARG A 13 ARG.? ULMNm 3 1qol_c02 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 1.03 A TRANSFORM 0.0091 -0.9989 -0.0451 -0.9842 -0.0169 0.1762 0.1768 -0.0428 0.9833 -25.369 -23.177 9.685 C 51 ALA A 42 ALA~? C 148 HIS A 58 HIS~? C 163 ASP A 115 ASP~? ULMNm 3 1ddj_c14 PLASMINOGEN user 4 3 RMSD = 1.04 A TRANSFORM -0.0245 0.6343 -0.7727 -0.7702 -0.5047 -0.3900 0.6374 -0.5856 -0.5009 28.170 74.322 63.083 C 603 HIS B 58 HIS~? C 646 ASP B 59 ASP~? C 739 GLY B 124 GLY~? ULMNm 3 1ddj_c12 PLASMINOGEN user 1 3 RMSD = 1.04 A TRANSFORM 0.0518 -0.3655 -0.9294 0.7314 0.6476 -0.2139 -0.6800 0.6686 -0.3009 33.206 65.695 2.281 A 603 HIS A 58 HIS~? A 646 ASP A 59 ASP~? A 739 GLY A 124 GLY~? ULMNm 3 1qol_c01 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 4 3 RMSD = 1.05 A TRANSFORM 0.4956 0.8331 0.2455 -0.7961 0.5487 -0.2551 0.3472 0.0691 -0.9352 -42.594 30.876 61.467 B 51 ALA B 42 ALA~? B 148 HIS B 58 HIS~? B 163 ASP B 115 ASP~? ULMNm 3 2wwt_o03 INTRACELLULAR SUBTILISIN PROTEASE user 6 3 RMSD = 1.05 A TRANSFORM 0.7928 0.5736 -0.2062 -0.0205 -0.3129 -0.9496 0.6092 -0.7570 0.2363 34.455 -39.926 -22.287 D 49 ASP B 115 ASP~? D 86 HIS B 58 HIS~? D 250 ALA B 42 ALA~? ULMNm 3 2wwt_o04 INTRACELLULAR SUBTILISIN PROTEASE user 9 3 RMSD = 1.05 A TRANSFORM -0.4767 -0.2115 0.8532 0.5689 0.6658 0.4829 0.6701 -0.7156 0.1971 -48.480 16.518 5.566 E 49 ASP B 115 ASP~? E 86 HIS B 58 HIS~? E 250 ALA B 42 ALA~? ULMNm 3 2wwt_o01 INTRACELLULAR SUBTILISIN PROTEASE user 6 3 RMSD = 1.05 A TRANSFORM 0.5003 0.2145 -0.8389 0.5696 0.6481 0.5054 -0.6521 0.7307 -0.2021 -13.822 -17.122 55.155 B 49 ASP B 115 ASP~? B 86 HIS B 58 HIS~? B 250 ALA B 42 ALA~? ULMNm 3 1qol_c07 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 2 3 RMSD = 1.06 A TRANSFORM -0.9927 0.0455 0.1117 0.0470 0.9988 0.0112 0.1111 -0.0164 0.9937 -37.286 8.809 -59.118 H 51 ALA A 42 ALA~? H 148 HIS A 58 HIS~? H 163 ASP A 115 ASP~? ULMNm 3 4mdh_c03 CYTOPLASMIC MALATE DEHYDROGENASE (E.user 3 3 RMSD = 1.06 A TRANSFORM 0.1700 0.7054 0.6882 -0.7337 0.5568 -0.3894 0.6578 0.4387 -0.6122 35.263 33.398 36.460 B 158 ASP B 115 ASP~? B 161 ARG B 112 ARG~? B 186 HIS B 58 HIS~? ULMNm 3 1qol_c02 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 5 3 RMSD = 1.07 A TRANSFORM 0.0433 0.9641 0.2621 0.9875 -0.0812 0.1354 -0.1518 -0.2530 0.9555 -30.656 -31.162 11.657 C 51 ALA B 42 ALA~? C 148 HIS B 58 HIS~? C 163 ASP B 115 ASP~? ULMNm 3 1pfq_c03 DIPEPTIDYL PEPTIDASE IV SOLUBLE FORMuser 1 3 RMSD = 1.08 A TRANSFORM -0.7002 -0.0726 0.7103 -0.7072 0.2077 -0.6759 0.0984 0.9755 0.1967 -12.229 21.713 14.751 B 630 SER A 79 SER^? B 709 ASP A 108 ASP^? B 740 HIS A 78 HIS^? ULMNm 3 1ddj_c15 PLASMINOGEN user 2 3 RMSD = 1.09 A TRANSFORM 0.2461 -0.5340 0.8089 -0.8725 0.2414 0.4249 0.4221 0.8103 0.4065 -44.819 26.626 37.732 D 603 HIS A 58 HIS~? D 646 ASP A 59 ASP~? D 739 GLY A 124 GLY~? ULMNm 3 1cjy_c00 CYTOSOLIC PHOSPHOLIPASE A2 user 1 3 RMSD = 1.09 A TRANSFORM 0.4812 -0.6419 0.5970 -0.8751 -0.3917 0.2842 -0.0514 0.6592 0.7502 42.978 -8.606 41.877 A 198 GLY A 36 GLY~? A 228 SER A 114 SER~? A 549 ASP A 115 ASP~? ULMNm 3 1ddj_c13 PLASMINOGEN user 1 3 RMSD = 1.10 A TRANSFORM 0.0378 -0.6609 0.7495 -0.8309 0.3959 0.3910 0.5551 0.6375 0.5342 -42.656 30.624 -28.537 B 603 HIS A 58 HIS~? B 646 ASP A 59 ASP~? B 739 GLY A 124 GLY~? ULMNm 3 1ddj_c12 PLASMINOGEN user 3 3 RMSD = 1.10 A TRANSFORM -0.0829 0.6175 -0.7822 -0.7373 -0.5661 -0.3688 0.6705 -0.5461 -0.5022 31.559 74.568 -0.519 A 603 HIS B 58 HIS~? A 646 ASP B 59 ASP~? A 739 GLY B 124 GLY~? ULMNm 3 1pfq_c03 DIPEPTIDYL PEPTIDASE IV SOLUBLE FORMuser 5 3 RMSD = 1.10 A TRANSFORM 0.7399 -0.1208 0.6617 0.6705 0.0536 -0.7400 -0.0539 -0.9912 -0.1206 -17.185 18.112 20.346 B 630 SER B 79 SER^? B 709 ASP B 108 ASP^? B 740 HIS B 78 HIS^? ULMNm 3 1qgx_c02 3',5'-ADENOSINE BISPHOSPHATASE user 6 3 RMSD = 1.10 A TRANSFORM -0.7126 0.6207 0.3271 -0.6719 -0.7379 -0.0637 -0.2018 0.2652 -0.9428 1.333 18.734 14.251 A 49 ASP B 93 ASP^? A 147 THR B 95 THR.? A 294 ASP A 93 ASP.? ULMNm 3 1cjy_c01 CYTOSOLIC PHOSPHOLIPASE A2 user 1 3 RMSD = 1.11 A TRANSFORM -0.3320 -0.6573 0.6766 -0.9373 0.3105 -0.1583 0.1061 0.6867 0.7192 125.254 72.096 113.436 B1198 GLY A 36 GLY~? B1228 SER A 114 SER~? B1549 ASP A 115 ASP~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 2 3 RMSD = 1.11 A TRANSFORM -0.8580 -0.3222 -0.4001 0.1185 -0.8820 0.4561 0.4998 -0.3439 -0.7949 41.853 18.593 19.487 A 229 ALA A 42 ALA~? A 257 ALA A 46 ALA~? A 328 ASP A 59 ASP~? ULMNm 3 1qgx_c02 3',5'-ADENOSINE BISPHOSPHATASE user 3 3 RMSD = 1.12 A TRANSFORM 0.1466 -0.9755 -0.1643 -0.8665 -0.0465 -0.4971 -0.4772 -0.2152 0.8520 9.909 24.961 -39.650 A 49 ASP A 115 ASP~? A 147 THR B 57 THR~? A 294 ASP A 59 ASP~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 11 3 RMSD = 1.14 A TRANSFORM 0.8326 0.4501 -0.3228 -0.1164 0.7120 0.6925 -0.5415 0.5390 -0.6452 33.257 15.910 21.906 A 229 ALA B 42 ALA~? A 257 ALA B 46 ALA~? A 328 ASP B 59 ASP~? ULMNm 3 1ddj_c15 PLASMINOGEN user 6 3 RMSD = 1.14 A TRANSFORM -0.2207 0.2737 0.9361 0.8867 -0.3434 0.3095 -0.4062 -0.8984 0.1669 -44.772 20.656 45.071 D 603 HIS B 58 HIS~? D 646 ASP B 59 ASP~? D 739 GLY B 124 GLY~? ULMNm 3 1qol_c07 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 6 3 RMSD = 1.14 A TRANSFORM 0.9913 -0.1208 0.0517 -0.1006 -0.9508 -0.2932 -0.0846 -0.2854 0.9547 -45.012 14.547 -57.558 H 51 ALA B 42 ALA~? H 148 HIS B 58 HIS~? H 163 ASP B 115 ASP~? ULMNm 3 1pfq_c02 DIPEPTIDYL PEPTIDASE IV SOLUBLE FORMuser 1 3 RMSD = 1.14 A TRANSFORM 0.9709 -0.0820 -0.2251 -0.2182 0.0847 -0.9722 -0.0988 -0.9930 -0.0644 2.774 26.446 26.423 A 630 SER A 79 SER^? A 709 ASP A 108 ASP^? A 740 HIS A 78 HIS^? ULMNm 3 1ddj_c13 PLASMINOGEN user 3 3 RMSD = 1.14 A TRANSFORM -0.0139 0.4162 0.9092 0.8437 -0.4832 0.2340 -0.5367 -0.7703 0.3444 -44.943 25.679 -20.811 B 603 HIS B 58 HIS~? B 646 ASP B 59 ASP~? B 739 GLY B 124 GLY~? ULMNm 3 1cjy_c01 CYTOSOLIC PHOSPHOLIPASE A2 user 3 3 RMSD = 1.17 A TRANSFORM 0.3863 0.3632 0.8478 0.8944 -0.3721 -0.2482 -0.2253 -0.8542 0.4686 119.213 65.088 119.807 B1198 GLY B 36 GLY~? B1228 SER B 114 SER~? B1549 ASP B 115 ASP~? ULMNm 3 1pfq_c02 DIPEPTIDYL PEPTIDASE IV SOLUBLE FORMuser 5 3 RMSD = 1.17 A TRANSFORM -0.9883 0.0765 -0.1318 0.1465 0.2389 -0.9599 0.0420 0.9680 0.2473 8.167 25.637 21.099 A 630 SER B 79 SER^? A 709 ASP B 108 ASP^? A 740 HIS B 78 HIS^? ULMNm 3 1cjy_c00 CYTOSOLIC PHOSPHOLIPASE A2 user 3 3 RMSD = 1.22 A TRANSFORM -0.4337 0.4682 0.7699 0.9001 0.1848 0.3946 -0.0425 -0.8641 0.5016 44.443 -18.495 46.488 A 198 GLY B 36 GLY~? A 228 SER B 114 SER~? A 549 ASP B 115 ASP~? ULMNm 3 1qgx_c02 3',5'-ADENOSINE BISPHOSPHATASE user 11 3 RMSD = 1.22 A TRANSFORM -0.1372 0.9771 0.1624 0.8429 0.2013 -0.4990 0.5202 -0.0685 0.8513 5.703 17.576 -43.896 A 49 ASP B 115 ASP~? A 147 THR A 57 THR~? A 294 ASP B 59 ASP~? ULMNm 3 1cjy_c00 CYTOSOLIC PHOSPHOLIPASE A2 user 2 3 RMSD = 1.24 A TRANSFORM 0.4510 -0.4802 0.7523 -0.7157 0.3089 0.6263 0.5332 0.8209 0.2044 39.314 -18.725 50.565 A 198 GLY A 40 GLY~? A 228 SER A 114 SER~? A 549 ASP A 115 ASP~? ULMNm 3 1xqw_c00 PROLINE IMINOPEPTIDASE user 2 3 RMSD = 1.24 A TRANSFORM -0.8559 0.0842 -0.5102 -0.5171 -0.1293 0.8461 -0.0053 -0.9880 -0.1542 19.904 -7.075 9.080 A 105 ALA A 42 ALA~? A 244 ASP A 115 ASP~? A 271 HIS A 58 HIS~? ULMNm 3 1xqw_c00 PROLINE IMINOPEPTIDASE user 4 3 RMSD = 1.25 A TRANSFORM 0.8373 0.0252 -0.5462 0.5427 -0.1600 0.8245 0.0666 0.9868 0.1477 13.004 -11.329 3.645 A 105 ALA B 42 ALA~? A 244 ASP B 115 ASP~? A 271 HIS B 58 HIS~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 1 3 RMSD = 1.28 A TRANSFORM -0.4496 -0.0406 -0.8923 0.3136 0.9282 -0.2002 -0.8364 0.3698 0.4046 79.025 14.904 2.979 A 67 ASP A 93 ASP.? A 68 ALA A 70 ALA.? A 72 LEU A 65 LEU~? ULMNm 3 1aql_c02 BILE-SALT ACTIVATED LIPASE user 3 3 RMSD = 1.29 A TRANSFORM -0.0964 -0.6969 -0.7106 0.9917 -0.1287 -0.0084 0.0856 0.7055 -0.7035 52.043 36.600 46.407 A 194 SER A 114 SER~? A 292 ASP A 131 ASP~? A 322 HIS B 41 HIS~? ULMNm 3 1n2t_c03 L-CYSTEINE-CYSTINE LYASE C-DES user 10 3 RMSD = 1.30 A TRANSFORM -0.9857 -0.0822 0.1470 -0.1192 -0.2756 -0.9539 -0.1189 0.9578 -0.2618 -17.231 26.517 2.648 B 114 HIS B 0 HIS.? B 197 ASP B 131 ASP~? B 223 ALA B 4 ALA^? ULMNm 3 1n2t_c02 L-CYSTEINE-CYSTINE LYASE C-DES user 10 3 RMSD = 1.30 A TRANSFORM 0.9840 0.0963 -0.1497 0.1379 0.1199 0.9832 -0.1126 0.9881 -0.1047 -76.267 -33.208 -1.753 A 114 HIS B 0 HIS.? A 197 ASP B 131 ASP~? A 223 ALA B 4 ALA^? ULMNm 3 1cjy_c01 CYTOSOLIC PHOSPHOLIPASE A2 user 2 3 RMSD = 1.31 A TRANSFORM -0.1890 -0.0045 0.9820 -0.7096 0.6918 -0.1334 0.6787 0.7221 0.1339 116.062 69.430 123.583 B1198 GLY A 40 GLY~? B1228 SER A 114 SER~? B1549 ASP A 115 ASP~? ULMNm 3 1aql_c03 BILE-SALT ACTIVATED LIPASE user 3 3 RMSD = 1.31 A TRANSFORM 0.4987 0.2819 -0.8196 -0.8668 0.1592 -0.4726 0.0027 -0.9461 -0.3238 48.015 74.738 34.275 B 194 SER A 114 SER~? B 292 ASP A 131 ASP~? B 322 HIS B 41 HIS~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 4 3 RMSD = 1.32 A TRANSFORM 0.2234 -0.8199 0.5272 -0.3305 -0.5725 -0.7503 -0.9170 0.0066 0.3988 25.199 57.360 -13.548 A 229 ALA A 104 ALA.? A 257 ALA A 105 ALA.? A 328 ASP A 73 ASP^? ULMNm 3 1qrz_c21 PLASMINOGEN user 2 3 RMSD = 1.33 A TRANSFORM 0.8927 -0.4219 0.1584 -0.2713 -0.2226 0.9364 0.3598 0.8789 0.3132 -52.254 -12.304 -9.136 B 603 HIS A 58 HIS~? B 646 ASP A 59 ASP~? B 739 GLY B 36 GLY~? ULMNm 3 2acu_c01 ALDOSE REDUCTASE (E.C.1.1.1.21) MUTAuser 1 3 RMSD = 1.34 A TRANSFORM 0.4835 -0.1113 -0.8682 -0.4624 -0.8746 -0.1454 0.7432 -0.4718 0.4744 28.379 26.310 60.223 A 43 ASP A 59 ASP~? A 48 HIS A 58 HIS~? A 77 LYS A 122 LYS~? ULMNm 3 1uk7_c00 3.07.01.0009 user 2 3 RMSD = 1.34 A TRANSFORM 0.8013 -0.4240 -0.4220 0.5434 0.8109 0.2171 -0.2501 0.4033 -0.8802 16.964 40.200 6.086 A 103 ALA A 42 ALA~? A 224 ASP A 115 ASP~? A 252 HIS A 58 HIS~? ULMNm 3 2acu_c01 ALDOSE REDUCTASE (E.C.1.1.1.21) MUTAuser 2 3 RMSD = 1.35 A TRANSFORM -0.5071 0.3798 -0.7736 0.4493 0.8825 0.1388 -0.7355 0.2772 0.6182 31.202 17.802 64.320 A 43 ASP B 59 ASP~? A 48 HIS B 58 HIS~? A 77 LYS B 122 LYS~? ULMNm 3 1uk7_c00 3.07.01.0009 user 5 3 RMSD = 1.35 A TRANSFORM -0.7756 0.5909 -0.2217 -0.6044 -0.7967 -0.0091 0.1820 -0.1270 -0.9751 20.544 49.193 5.824 A 103 ALA B 42 ALA~? A 224 ASP B 115 ASP~? A 252 HIS B 58 HIS~? ULMNm 3 1qrz_c21 PLASMINOGEN user 3 3 RMSD = 1.35 A TRANSFORM -0.8756 0.3578 0.3244 0.3131 -0.0908 0.9454 -0.3677 -0.9294 0.0325 -47.218 -15.063 -1.398 B 603 HIS B 58 HIS~? B 646 ASP B 59 ASP~? B 739 GLY A 36 GLY~? ULMNm 3 1be1_c02 GLUTAMATE MUTASE user 4 3 RMSD = 1.38 A TRANSFORM -0.2370 0.8785 0.4149 0.5992 0.4683 -0.6493 0.7647 -0.0947 0.6374 6.725 2.840 -40.573 14 ASP B 131 ASP~? 16 HIS B 0 HIS.? 67 GLY B 124 GLY~? ULMNm 3 1ehy_c00 SOLUBLE EPOXIDE HYDROLASE user 2 3 RMSD = 1.39 A TRANSFORM 0.8547 0.2730 -0.4415 -0.1041 0.9234 0.3695 -0.5086 0.2699 -0.8176 28.723 37.275 66.725 A 107 ASP B 115 ASP~? A 246 ASP A 115 ASP~? A 275 HIS B 58 HIS~? ULMNm 3 1qrz_c22 PLASMINOGEN user 2 3 RMSD = 1.40 A TRANSFORM 0.0828 0.9914 0.1009 -0.2695 0.1197 -0.9555 0.9594 -0.0520 -0.2771 -1.136 8.590 5.835 C 603 HIS B 58 HIS~? C 646 ASP B 59 ASP~? C 739 GLY A 36 GLY~? ULMNm 3 1qgx_c02 3',5'-ADENOSINE BISPHOSPHATASE user 10 3 RMSD = 1.42 A TRANSFORM -0.7411 0.6695 -0.0500 0.6429 0.6863 -0.3402 0.1934 0.2843 0.9390 11.763 18.537 -41.572 A 49 ASP B 115 ASP~? A 147 THR A 57 THR~? A 294 ASP A 115 ASP~? ULMNm 3 1n2t_c02 L-CYSTEINE-CYSTINE LYASE C-DES user 8 3 RMSD = 1.43 A TRANSFORM -0.0173 0.7868 -0.6169 -0.6513 -0.4770 -0.5901 0.7586 -0.3916 -0.5208 -50.463 0.891 -18.493 A 114 HIS A 58 HIS~? A 197 ASP A 115 ASP~? A 223 ALA B 42 ALA~? ULMNm 3 1n2t_c02 L-CYSTEINE-CYSTINE LYASE C-DES user 2 3 RMSD = 1.43 A TRANSFORM 0.2721 -0.6694 -0.6912 0.8160 0.5412 -0.2029 -0.5099 0.5089 -0.6936 -49.475 -5.324 -14.556 A 114 HIS A 58 HIS~? A 197 ASP A 59 ASP~? A 223 ALA A 44 ALA~? ULMNm 3 1n2t_c03 L-CYSTEINE-CYSTINE LYASE C-DES user 2 3 RMSD = 1.43 A TRANSFORM -0.2809 0.6755 0.6818 -0.7245 -0.6151 0.3109 -0.6294 0.4067 -0.6622 -44.248 1.000 -14.042 B 114 HIS A 58 HIS~? B 197 ASP A 59 ASP~? B 223 ALA A 44 ALA~? ULMNm 3 1n2t_c03 L-CYSTEINE-CYSTINE LYASE C-DES user 8 3 RMSD = 1.43 A TRANSFORM 0.0289 -0.7917 0.6103 0.5223 0.5325 0.6660 0.8523 -0.2995 -0.4289 -43.319 -4.515 -18.931 B 114 HIS A 58 HIS~? B 197 ASP A 115 ASP~? B 223 ALA B 42 ALA~? ULMNm 3 1aql_c02 BILE-SALT ACTIVATED LIPASE user 4 3 RMSD = 1.44 A TRANSFORM 0.3148 0.7473 -0.5852 -0.6006 0.6342 0.4868 -0.7350 -0.1982 -0.6485 45.469 21.439 63.847 A 194 SER B 63 SER~? A 292 ASP B 108 ASP^? A 322 HIS A 78 HIS^? ULMNm 3 1ehy_c00 SOLUBLE EPOXIDE HYDROLASE user 1 3 RMSD = 1.45 A TRANSFORM -0.8693 -0.1185 -0.4798 0.1156 -0.9927 0.0358 0.4806 0.0243 -0.8766 36.814 41.891 63.425 A 107 ASP A 115 ASP~? A 246 ASP B 115 ASP~? A 275 HIS A 58 HIS~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 1 3 RMSD = 1.45 A TRANSFORM -0.7816 -0.5521 0.2902 0.1930 -0.6565 -0.7292 -0.5931 0.5140 -0.6197 -1.163 15.400 16.237 141 ASP A 59 ASP~? 166 GLY B 40 GLY~? 169 GLU B 48 GLU~? ULMNm 3 1uok_c05 OLIGO-1,6-GLUCOSIDASE user 8 3 RMSD = 1.46 A TRANSFORM -0.9511 0.0442 0.3058 -0.1360 -0.9485 -0.2860 -0.2774 0.3136 -0.9081 52.487 35.492 33.749 199 ASP B 115 ASP~? 242 GLU B 25 GLU.? 329 ASP A 59 ASP~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 3 3 RMSD = 1.46 A TRANSFORM 0.5209 0.8424 -0.1377 0.7327 -0.3585 0.5785 -0.4380 0.4022 0.8040 46.603 20.642 -5.139 A 229 ALA A 46 ALA~? A 257 ALA A 42 ALA~? A 328 ASP A 59 ASP~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 9 3 RMSD = 1.50 A TRANSFORM -0.2204 -0.9741 -0.0510 0.2315 -0.1030 0.9674 0.9475 -0.2014 -0.2482 41.632 4.431 22.879 A 229 ALA A 120 ALA~? A 257 ALA A 125 ALA.? A 328 ASP A 73 ASP^? ULMNm 3 1qrz_c23 PLASMINOGEN user 2 3 RMSD = 1.50 A TRANSFORM 0.0535 0.9969 0.0579 -0.3011 0.0714 -0.9509 0.9521 -0.0335 -0.3040 -54.326 9.091 44.507 D 603 HIS B 58 HIS~? D 646 ASP B 59 ASP~? D 739 GLY A 36 GLY~?