*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 10 3 RMSD = 0.71 A TRANSFORM 0.1590 -0.6856 -0.7105 0.1637 0.7279 -0.6658 -0.9736 0.0105 -0.2280 65.787 35.066 36.871 A 67 ASP B 93 ASP^? A 68 ALA B 105 ALA.? A 72 LEU B 106 LEU^? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 4 3 RMSD = 0.82 A TRANSFORM -0.1938 0.8766 -0.4405 -0.2527 -0.4785 -0.8409 0.9479 0.0517 -0.3143 63.379 38.524 30.928 A 67 ASP A 93 ASP^? A 68 ALA A 105 ALA.? A 72 LEU A 106 LEU^? ULMNm 3 1qol_c04 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 0.87 A TRANSFORM 0.8421 -0.3918 -0.3707 -0.4701 -0.8701 -0.1482 0.2644 -0.2991 0.9168 11.598 -14.526 -58.158 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 2 3 RMSD = 0.89 A TRANSFORM 0.4641 0.8858 -0.0013 0.8245 -0.4326 -0.3648 0.3237 -0.1683 0.9311 1.853 25.154 11.601 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 = 0.90 A TRANSFORM -0.8510 0.4981 -0.1661 0.4766 0.8656 0.1537 -0.2203 -0.0516 0.9741 15.854 -23.441 -57.031 E 51 ALA B 42 ALA~? E 148 HIS B 58 HIS~? E 163 ASP B 115 ASP~? ULMNm 3 2wwt_o02 INTRACELLULAR SUBTILISIN PROTEASE user 7 3 RMSD = 0.91 A TRANSFORM 0.5836 0.6430 0.4960 -0.4796 -0.2200 0.8495 -0.6553 0.7336 -0.1800 43.603 -20.628 19.474 C 49 ASP B 115 ASP~? C 86 HIS B 58 HIS~? C 250 ALA B 42 ALA~? ULMNm 3 1qol_c00 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 6 3 RMSD = 0.91 A TRANSFORM -0.4773 -0.8266 -0.2982 -0.8326 0.5339 -0.1472 -0.2809 -0.1780 0.9431 10.683 29.044 13.968 A 51 ALA B 42 ALA~? A 148 HIS B 58 HIS~? A 163 ASP B 115 ASP~? ULMNm 3 1qol_c03 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 2 3 RMSD = 0.94 A TRANSFORM 0.0474 0.9980 0.0415 -0.9887 0.0409 0.1440 -0.1421 0.0479 -0.9887 -7.047 -22.661 66.835 D 51 ALA A 42 ALA~? D 148 HIS A 58 HIS~? D 163 ASP A 115 ASP~? ULMNm 3 1qol_c05 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 2 3 RMSD = 0.94 A TRANSFORM 0.8285 -0.4266 -0.3627 0.5039 0.8505 0.1509 -0.2441 0.3078 -0.9196 11.324 14.107 -3.979 F 51 ALA A 42 ALA~? F 148 HIS A 58 HIS~? F 163 ASP A 115 ASP~? ULMNm 3 2wwt_o02 INTRACELLULAR SUBTILISIN PROTEASE user 3 3 RMSD = 0.94 A TRANSFORM -0.5570 -0.7901 0.2559 0.5212 -0.0926 0.8484 0.6466 -0.6059 -0.4634 52.463 -24.905 18.172 C 49 ASP A 115 ASP~? C 86 HIS A 58 HIS~? C 250 ALA A 42 ALA~? ULMNm 3 2wwt_o05 INTRACELLULAR SUBTILISIN PROTEASE user 10 3 RMSD = 0.96 A TRANSFORM -0.1623 -0.1836 -0.9695 0.8039 0.5451 -0.2378 -0.5721 0.8180 -0.0592 -65.672 9.850 46.329 F 49 ASP B 115 ASP~? F 86 HIS B 58 HIS~? F 250 ALA B 42 ALA~? ULMNm 3 1qol_c03 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 6 3 RMSD = 0.96 A TRANSFORM -0.0596 -0.9465 -0.3171 0.9932 -0.0882 0.0766 0.1005 0.3104 -0.9453 -0.923 -30.324 65.183 D 51 ALA B 42 ALA~? D 148 HIS B 58 HIS~? D 163 ASP B 115 ASP~? ULMNm 3 1qol_c05 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 6 3 RMSD = 0.96 A TRANSFORM -0.8367 0.5274 -0.1477 -0.5098 -0.8485 -0.1422 0.2003 0.0436 -0.9788 15.290 23.176 -4.902 F 51 ALA B 42 ALA~? F 148 HIS B 58 HIS~? F 163 ASP B 115 ASP~? ULMNm 3 1qol_c01 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 2 3 RMSD = 0.97 A TRANSFORM -0.4670 -0.8839 -0.0266 0.8091 -0.4149 -0.4162 -0.3569 0.2159 -0.9089 -33.907 26.318 64.114 B 51 ALA A 42 ALA~? B 148 HIS A 58 HIS~? B 163 ASP A 115 ASP~? ULMNm 3 1qol_c06 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 0.97 A TRANSFORM -0.9960 0.0648 0.0623 -0.0597 -0.9950 0.0801 -0.0671 -0.0761 -0.9948 -35.772 -12.427 -2.929 G 51 ALA A 42 ALA~? G 148 HIS A 58 HIS~? G 163 ASP A 115 ASP~? ULMNm 3 2wwt_o00 INTRACELLULAR SUBTILISIN PROTEASE user 7 3 RMSD = 0.98 A TRANSFORM 0.1396 0.2690 0.9530 0.7772 0.5666 -0.2738 0.6136 -0.7789 0.1300 3.619 -25.900 13.167 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 7 3 RMSD = 0.98 A TRANSFORM 0.1396 0.2690 0.9530 0.7772 0.5666 -0.2738 0.6136 -0.7789 0.1300 3.619 -25.900 13.167 A 49 ASP B 115 ASP~? A 86 HIS B 58 HIS~? A 250 ALA B 42 ALA~? ULMNm 3 2wwt_o01 INTRACELLULAR SUBTILISIN PROTEASE user 7 3 RMSD = 0.99 A TRANSFORM 0.4609 0.2803 -0.8420 0.5724 0.6311 0.5235 -0.6781 0.7233 -0.1304 -13.463 -17.318 54.190 B 49 ASP B 115 ASP~? B 86 HIS B 58 HIS~? B 250 ALA B 42 ALA~? ULMNm 3 1qol_c02 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 2 3 RMSD = 0.99 A TRANSFORM -0.0093 -0.9986 -0.0519 -0.9874 0.0010 0.1584 0.1581 -0.0527 0.9860 -25.331 -22.734 9.854 C 51 ALA A 42 ALA~? C 148 HIS A 58 HIS~? C 163 ASP A 115 ASP~? ULMNm 3 1qol_c01 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 6 3 RMSD = 0.99 A TRANSFORM 0.4789 0.8348 0.2715 -0.8198 0.5359 -0.2018 0.3140 0.1260 -0.9410 -42.773 30.142 61.772 B 51 ALA B 42 ALA~? B 148 HIS B 58 HIS~? B 163 ASP B 115 ASP~? ULMNm 3 2wwt_o05 INTRACELLULAR SUBTILISIN PROTEASE user 4 3 RMSD = 1.00 A TRANSFORM 0.1138 0.5253 -0.8432 -0.8141 -0.4372 -0.3823 0.5695 -0.7300 -0.3779 -68.997 19.210 46.303 F 49 ASP A 115 ASP~? F 86 HIS A 58 HIS~? F 250 ALA A 42 ALA~? ULMNm 3 4mdh_c03 CYTOPLASMIC MALATE DEHYDROGENASE (E.user 3 3 RMSD = 1.00 A TRANSFORM 0.1663 0.6997 0.6948 -0.7382 0.5555 -0.3827 0.6538 0.4493 -0.6089 35.522 33.291 36.353 B 158 ASP B 115 ASP~? B 161 ARG B 112 ARG~? B 186 HIS B 58 HIS~? ULMNm 3 1qgx_c02 3',5'-ADENOSINE BISPHOSPHATASE user 10 3 RMSD = 1.00 A TRANSFORM -0.7227 0.5746 0.3841 -0.6687 -0.7219 -0.1781 -0.1750 0.3856 -0.9059 -0.628 22.936 12.887 A 49 ASP B 93 ASP^? A 147 THR B 95 THR.? A 294 ASP A 93 ASP^? ULMNm 3 1ddj_c14 PLASMINOGEN user 1 3 RMSD = 1.00 A TRANSFORM -0.0244 -0.3721 -0.9279 0.7631 0.5927 -0.2577 -0.6458 0.7143 -0.2695 30.165 65.405 65.070 C 603 HIS A 58 HIS~? C 646 ASP A 59 ASP~? C 739 GLY A 124 GLY~? ULMNm 3 2wwt_o00 INTRACELLULAR SUBTILISIN PROTEASE user 3 3 RMSD = 1.00 A TRANSFORM -0.0906 -0.5985 0.7960 -0.7889 -0.4447 -0.4241 -0.6078 0.6664 0.4318 7.228 -16.678 13.818 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 = 1.00 A TRANSFORM -0.0906 -0.5985 0.7960 -0.7889 -0.4447 -0.4241 -0.6078 0.6664 0.4318 7.228 -16.678 13.818 A 49 ASP A 115 ASP~? A 86 HIS A 58 HIS~? A 250 ALA A 42 ALA~? ULMNm 3 1qol_c02 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 6 3 RMSD = 1.00 A TRANSFORM 0.0209 0.9507 0.3094 0.9930 -0.0557 0.1043 -0.1164 -0.3051 0.9452 -31.158 -30.603 11.605 C 51 ALA B 42 ALA~? C 148 HIS B 58 HIS~? C 163 ASP B 115 ASP~? ULMNm 3 1qol_c06 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 4 3 RMSD = 1.00 A TRANSFORM 0.9967 -0.0807 -0.0078 0.0762 0.9001 0.4289 0.0276 0.4281 -0.9033 -43.433 -18.534 -4.693 G 51 ALA B 42 ALA~? G 148 HIS B 58 HIS~? G 163 ASP B 115 ASP~? ULMNm 3 4mdh_c03 CYTOPLASMIC MALATE DEHYDROGENASE (E.user 1 3 RMSD = 1.01 A TRANSFORM -0.1466 -0.8963 0.4186 0.7335 -0.3824 -0.5619 -0.6637 -0.2247 -0.7135 41.185 29.604 43.821 B 158 ASP A 115 ASP~? B 161 ARG A 112 ARG~? B 186 HIS A 58 HIS~? ULMNm 3 2wwt_o03 INTRACELLULAR SUBTILISIN PROTEASE user 6 3 RMSD = 1.01 A TRANSFORM 0.7691 0.6071 -0.1997 -0.0520 -0.2519 -0.9663 0.6370 -0.7536 0.1622 34.619 -39.485 -21.303 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 8 3 RMSD = 1.01 A TRANSFORM -0.4330 -0.2790 0.8572 0.5750 0.6468 0.5010 0.6942 -0.7098 0.1196 -48.888 16.282 6.634 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 3 3 RMSD = 1.02 A TRANSFORM -0.5012 0.0338 -0.8647 -0.5453 -0.7882 0.2852 0.6719 -0.6144 -0.4135 -8.978 -8.589 52.679 B 49 ASP A 115 ASP~? B 86 HIS A 58 HIS~? B 250 ALA A 42 ALA~? ULMNm 3 2wwt_o03 INTRACELLULAR SUBTILISIN PROTEASE user 3 3 RMSD = 1.04 A TRANSFORM -0.7771 -0.5087 -0.3705 0.0031 0.5857 -0.8105 -0.6293 0.6310 0.4536 44.084 -42.305 -20.286 D 49 ASP A 115 ASP~? D 86 HIS A 58 HIS~? D 250 ALA A 42 ALA~? ULMNm 3 2wwt_o04 INTRACELLULAR SUBTILISIN PROTEASE user 3 3 RMSD = 1.04 A TRANSFORM 0.4756 -0.0415 0.8787 -0.5471 -0.7961 0.2585 -0.6888 0.6037 0.4014 -53.110 25.105 8.311 E 49 ASP A 115 ASP~? E 86 HIS A 58 HIS~? E 250 ALA A 42 ALA~? ULMNm 3 1pfq_c03 DIPEPTIDYL PEPTIDASE IV SOLUBLE FORMuser 4 3 RMSD = 1.04 A TRANSFORM 0.7548 -0.0782 0.6513 0.6550 0.0362 -0.7548 -0.0355 -0.9963 -0.0785 -16.144 17.411 19.101 B 630 SER B 79 SER^? B 709 ASP B 108 ASP^? B 740 HIS B 78 HIS^? ULMNm 3 1qol_c07 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 2 3 RMSD = 1.05 A TRANSFORM -0.9936 0.0632 0.0931 0.0653 0.9977 0.0190 0.0917 -0.0250 0.9955 -36.840 8.742 -58.923 H 51 ALA A 42 ALA~? H 148 HIS A 58 HIS~? H 163 ASP A 115 ASP~? ULMNm 3 1ddj_c12 PLASMINOGEN user 1 3 RMSD = 1.05 A TRANSFORM 0.0340 -0.3537 -0.9347 0.7325 0.6451 -0.2174 -0.6799 0.6773 -0.2811 32.995 65.654 1.918 A 603 HIS A 58 HIS~? A 646 ASP A 59 ASP~? A 739 GLY A 124 GLY~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 1 3 RMSD = 1.05 A TRANSFORM -0.8404 -0.3153 -0.4408 0.1037 -0.8918 0.4403 0.5319 -0.3243 -0.7822 42.599 18.794 19.080 A 229 ALA A 42 ALA~? A 257 ALA A 46 ALA~? A 328 ASP A 59 ASP~? ULMNm 3 1qol_c07 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 6 3 RMSD = 1.07 A TRANSFORM 0.9957 -0.0896 0.0235 -0.0765 -0.9385 -0.3368 -0.0522 -0.3336 0.9413 -44.494 14.968 -57.524 H 51 ALA B 42 ALA~? H 148 HIS B 58 HIS~? H 163 ASP B 115 ASP~? ULMNm 3 1cjy_c00 CYTOSOLIC PHOSPHOLIPASE A2 user 1 3 RMSD = 1.07 A TRANSFORM 0.4501 -0.6622 0.5991 -0.8929 -0.3268 0.3096 0.0092 0.6743 0.7384 42.983 -9.167 42.146 A 198 GLY A 36 GLY~? A 228 SER A 114 SER~? A 549 ASP A 115 ASP~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 10 3 RMSD = 1.07 A TRANSFORM 0.8412 0.4357 -0.3201 -0.0799 0.6858 0.7234 -0.5347 0.5830 -0.6117 33.334 15.047 20.838 A 229 ALA B 42 ALA~? A 257 ALA B 46 ALA~? A 328 ASP B 59 ASP~? ULMNm 3 1emh_d00 HYDROLASE/DNA user 1 3 RMSD = 1.07 A TRANSFORM 0.9022 0.0378 0.4296 0.3955 -0.4694 -0.7894 -0.1718 -0.8822 0.4384 16.120 7.109 21.104 A 271 PRO A 18 PRO^? A 272 LEU A 11 LEU.? A 276 ARG A 13 ARG.? ULMNm 3 1pfq_c03 DIPEPTIDYL PEPTIDASE IV SOLUBLE FORMuser 1 3 RMSD = 1.08 A TRANSFORM -0.7257 -0.1428 0.6730 -0.6871 0.2023 -0.6979 0.0365 0.9689 0.2449 -10.165 22.628 13.806 B 630 SER A 79 SER^? B 709 ASP A 108 ASP^? B 740 HIS A 78 HIS^? ULMNm 3 1qgx_c02 3',5'-ADENOSINE BISPHOSPHATASE user 2 3 RMSD = 1.09 A TRANSFORM 0.7248 -0.6733 0.1460 0.6606 0.7393 0.1305 0.1958 -0.0019 -0.9806 -3.797 10.726 12.328 A 49 ASP A 93 ASP^? A 147 THR A 95 THR.? A 294 ASP B 93 ASP^? ULMNm 3 1ddj_c14 PLASMINOGEN user 5 3 RMSD = 1.09 A TRANSFORM -0.0140 0.6688 -0.7433 -0.7707 -0.4808 -0.4182 0.6371 -0.5670 -0.5222 27.288 74.658 63.359 C 603 HIS B 58 HIS~? C 646 ASP B 59 ASP~? C 739 GLY B 124 GLY~? ULMNm 3 1ddj_c13 PLASMINOGEN user 1 3 RMSD = 1.10 A TRANSFORM 0.0452 -0.6709 0.7402 -0.8213 0.3968 0.4099 0.5687 0.6265 0.5330 -42.286 30.497 -28.370 B 603 HIS A 58 HIS~? B 646 ASP A 59 ASP~? B 739 GLY A 124 GLY~? ULMNm 3 1cjy_c00 CYTOSOLIC PHOSPHOLIPASE A2 user 3 3 RMSD = 1.11 A TRANSFORM -0.4424 0.4025 0.8014 0.8961 0.2335 0.3774 0.0352 -0.8851 0.4640 43.695 -17.853 46.234 A 198 GLY B 36 GLY~? A 228 SER B 114 SER~? A 549 ASP B 115 ASP~? ULMNm 3 1cjy_c01 CYTOSOLIC PHOSPHOLIPASE A2 user 1 3 RMSD = 1.11 A TRANSFORM -0.3687 -0.6173 0.6950 -0.9114 0.3870 -0.1397 0.1827 0.6850 0.7053 124.848 71.574 113.805 B1198 GLY A 36 GLY~? B1228 SER A 114 SER~? B1549 ASP A 115 ASP~? ULMNm 3 1pfq_c02 DIPEPTIDYL PEPTIDASE IV SOLUBLE FORMuser 4 3 RMSD = 1.11 A TRANSFORM -0.9908 0.0634 -0.1198 0.1303 0.2023 -0.9706 0.0373 0.9773 0.2087 8.015 24.545 22.292 A 630 SER B 79 SER^? A 709 ASP B 108 ASP^? A 740 HIS B 78 HIS^? ULMNm 3 1ddj_c15 PLASMINOGEN user 2 3 RMSD = 1.12 A TRANSFORM 0.2561 -0.5446 0.7987 -0.8642 0.2412 0.4416 0.4331 0.8033 0.4089 -44.420 26.541 37.812 D 603 HIS A 58 HIS~? D 646 ASP A 59 ASP~? D 739 GLY A 124 GLY~? ULMNm 3 1ddj_c12 PLASMINOGEN user 5 3 RMSD = 1.13 A TRANSFORM -0.0724 0.6529 -0.7540 -0.7384 -0.5432 -0.3995 0.6704 -0.5278 -0.5214 30.691 74.966 -0.280 A 603 HIS B 58 HIS~? A 646 ASP B 59 ASP~? A 739 GLY B 124 GLY~? ULMNm 3 1pfq_c02 DIPEPTIDYL PEPTIDASE IV SOLUBLE FORMuser 1 3 RMSD = 1.15 A TRANSFORM 0.9843 -0.0126 -0.1763 -0.1736 0.1197 -0.9775 -0.0334 -0.9927 -0.1156 0.275 26.245 27.553 A 630 SER A 79 SER^? A 709 ASP A 108 ASP^? A 740 HIS A 78 HIS^? ULMNm 3 1cjy_c01 CYTOSOLIC PHOSPHOLIPASE A2 user 3 3 RMSD = 1.15 A TRANSFORM 0.3789 0.3574 0.8536 0.9154 -0.2805 -0.2889 -0.1362 -0.8908 0.4334 119.231 66.066 119.308 B1198 GLY B 36 GLY~? B1228 SER B 114 SER~? B1549 ASP B 115 ASP~? ULMNm 3 1ddj_c13 PLASMINOGEN user 5 3 RMSD = 1.17 A TRANSFORM -0.0179 0.3748 0.9269 0.8384 -0.4995 0.2182 -0.5448 -0.7810 0.3053 -44.939 26.154 -19.953 B 603 HIS B 58 HIS~? B 646 ASP B 59 ASP~? B 739 GLY B 124 GLY~? ULMNm 3 1qgx_c02 3',5'-ADENOSINE BISPHOSPHATASE user 6 3 RMSD = 1.19 A TRANSFORM 0.1400 -0.9756 -0.1689 -0.8562 -0.0336 -0.5155 -0.4973 -0.2168 0.8401 9.846 25.232 -39.162 A 49 ASP A 115 ASP~? A 147 THR B 57 THR~? A 294 ASP A 59 ASP~? ULMNm 3 1xqw_c00 PROLINE IMINOPEPTIDASE user 4 3 RMSD = 1.19 A TRANSFORM 0.8204 0.0907 -0.5646 0.5709 -0.1856 0.7998 0.0322 0.9784 0.2041 13.479 -11.036 3.098 A 105 ALA B 42 ALA~? A 244 ASP B 115 ASP~? A 271 HIS B 58 HIS~? ULMNm 3 1ddj_c15 PLASMINOGEN user 6 3 RMSD = 1.20 A TRANSFORM -0.2261 0.2324 0.9460 0.8819 -0.3636 0.3001 -0.4137 -0.9021 0.1227 -44.616 21.036 45.969 D 603 HIS B 58 HIS~? D 646 ASP B 59 ASP~? D 739 GLY B 124 GLY~? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 5 3 RMSD = 1.20 A TRANSFORM 0.9878 0.1264 -0.0915 -0.0091 0.6322 0.7747 -0.1557 0.7644 -0.6256 -1.594 -22.188 154.180 C 70 ALA B 42 ALA~? C 126 LEU B 56 LEU~? C 158 GLU A 39 GLU~? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 2 3 RMSD = 1.20 A TRANSFORM -0.9924 -0.0835 -0.0906 0.0274 -0.8666 0.4982 0.1201 -0.4919 -0.8623 7.119 -18.070 156.615 C 70 ALA A 42 ALA~? C 126 LEU A 56 LEU~? C 158 GLU B 39 GLU~? ULMNm 3 1qgx_c02 3',5'-ADENOSINE BISPHOSPHATASE user 14 3 RMSD = 1.21 A TRANSFORM -0.1398 0.9752 0.1718 0.8532 0.2067 -0.4789 0.5026 -0.0796 0.8609 5.719 17.073 -43.794 A 49 ASP B 115 ASP~? A 147 THR A 57 THR~? A 294 ASP B 59 ASP~? ULMNm 3 1xqw_c00 PROLINE IMINOPEPTIDASE user 2 3 RMSD = 1.21 A TRANSFORM -0.8453 0.1055 -0.5238 -0.5338 -0.1229 0.8366 -0.0238 -0.9868 -0.1602 20.104 -6.669 9.080 A 105 ALA A 42 ALA~? A 244 ASP A 115 ASP~? A 271 HIS A 58 HIS~? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 4 3 RMSD = 1.25 A TRANSFORM -0.4995 -0.5418 -0.6760 0.8549 -0.1818 -0.4859 -0.1404 0.8206 -0.5540 12.345 35.161 151.619 A 70 ALA B 42 ALA~? A 126 LEU B 56 LEU~? A 158 GLU A 39 GLU~? ULMNm 3 1qrz_c21 PLASMINOGEN user 1 3 RMSD = 1.26 A TRANSFORM 0.8938 -0.4244 0.1447 -0.2647 -0.2388 0.9343 0.3620 0.8734 0.3258 -51.934 -12.141 -9.275 B 603 HIS A 58 HIS~? B 646 ASP A 59 ASP~? B 739 GLY B 36 GLY~? ULMNm 3 1qrz_c21 PLASMINOGEN user 2 3 RMSD = 1.27 A TRANSFORM -0.8919 0.3303 0.3088 0.2951 -0.0924 0.9510 -0.3427 -0.9393 0.0150 -46.612 -14.882 -1.335 B 603 HIS B 58 HIS~? B 646 ASP B 59 ASP~? B 739 GLY A 36 GLY~? ULMNm 3 1uk7_c00 3.07.01.0009 user 5 3 RMSD = 1.30 A TRANSFORM -0.8069 0.5626 -0.1802 -0.5646 -0.8242 -0.0452 0.1739 -0.0653 -0.9826 20.037 49.316 5.924 A 103 ALA B 42 ALA~? A 224 ASP B 115 ASP~? A 252 HIS B 58 HIS~? ULMNm 3 2acu_c01 ALDOSE REDUCTASE (E.C.1.1.1.21) MUTAuser 1 3 RMSD = 1.30 A TRANSFORM 0.4838 -0.1326 -0.8651 -0.4593 -0.8799 -0.1220 0.7450 -0.4563 0.4866 28.022 25.850 59.996 A 43 ASP A 59 ASP~? A 48 HIS A 58 HIS~? A 77 LYS A 122 LYS~? ULMNm 3 1qrz_c22 PLASMINOGEN user 1 3 RMSD = 1.31 A TRANSFORM -0.0703 -0.9696 -0.2343 0.2208 0.2139 -0.9516 -0.9728 0.1187 -0.1991 4.941 6.160 12.903 C 603 HIS A 58 HIS~? C 646 ASP A 59 ASP~? C 739 GLY B 36 GLY~? ULMNm 3 1cjy_c00 CYTOSOLIC PHOSPHOLIPASE A2 user 2 3 RMSD = 1.31 A TRANSFORM 0.4246 -0.5019 0.7535 -0.7062 0.3371 0.6226 0.5665 0.7965 0.2113 39.343 -18.543 50.468 A 198 GLY A 40 GLY~? A 228 SER A 114 SER~? A 549 ASP A 115 ASP~? ULMNm 3 1aql_c03 BILE-SALT ACTIVATED LIPASE user 2 3 RMSD = 1.31 A TRANSFORM 0.4389 0.2528 -0.8622 -0.8969 0.0664 -0.4371 0.0532 -0.9652 -0.2559 48.874 75.046 33.469 B 194 SER A 114 SER~? B 292 ASP A 131 ASP~? B 322 HIS B 41 HIS~? ULMNm 3 1be1_c02 GLUTAMATE MUTASE user 4 3 RMSD = 1.31 A TRANSFORM -0.2428 0.8656 0.4378 0.5984 0.4889 -0.6348 0.7635 -0.1079 0.6367 6.507 2.615 -40.263 14 ASP B 131 ASP~? 16 HIS B 0 HIS.? 67 GLY B 124 GLY~? ULMNm 3 1qrz_c22 PLASMINOGEN user 2 3 RMSD = 1.32 A TRANSFORM 0.0536 0.9922 0.1127 -0.2521 0.1226 -0.9599 0.9662 -0.0230 -0.2567 -1.000 8.388 5.249 C 603 HIS B 58 HIS~? C 646 ASP B 59 ASP~? C 739 GLY A 36 GLY~? ULMNm 3 1cjy_c00 CYTOSOLIC PHOSPHOLIPASE A2 user 4 3 RMSD = 1.32 A TRANSFORM -0.4056 0.2025 0.8913 0.7240 -0.5241 0.4485 -0.5579 -0.8273 -0.0660 40.776 -22.072 59.698 A 198 GLY B 40 GLY~? A 228 SER B 114 SER~? A 549 ASP B 115 ASP~? ULMNm 3 1uk7_c00 3.07.01.0009 user 2 3 RMSD = 1.33 A TRANSFORM 0.7971 -0.4472 -0.4057 0.5626 0.7941 0.2299 -0.2194 0.4115 -0.8846 16.499 40.039 6.004 A 103 ALA A 42 ALA~? A 224 ASP A 115 ASP~? A 252 HIS A 58 HIS~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 1 3 RMSD = 1.34 A TRANSFORM -0.4655 -0.0138 -0.8849 0.2999 0.9382 -0.1725 -0.8327 0.3457 0.4326 78.553 14.127 2.508 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 2 3 RMSD = 1.34 A TRANSFORM -0.0815 -0.7494 -0.6571 0.9966 -0.0659 -0.0485 0.0070 0.6589 -0.7522 51.734 36.619 47.506 A 194 SER A 114 SER~? A 292 ASP A 131 ASP~? A 322 HIS B 41 HIS~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 4 3 RMSD = 1.35 A TRANSFORM 0.0683 -0.8216 0.5660 -0.4823 -0.5238 -0.7022 -0.8733 0.2250 0.4320 22.540 54.310 -14.813 A 229 ALA A 104 ALA.? A 257 ALA A 105 ALA.? A 328 ASP A 73 ASP^? ULMNm 3 2acu_c01 ALDOSE REDUCTASE (E.C.1.1.1.21) MUTAuser 2 3 RMSD = 1.35 A TRANSFORM -0.5032 0.4124 -0.7594 0.4516 0.8747 0.1758 -0.7368 0.2545 0.6264 30.697 17.188 64.377 A 43 ASP B 59 ASP~? A 48 HIS B 58 HIS~? A 77 LYS B 122 LYS~? ULMNm 3 1n2t_c03 L-CYSTEINE-CYSTINE LYASE C-DES user 8 3 RMSD = 1.37 A TRANSFORM -0.9858 -0.0988 0.1361 -0.1064 -0.2605 -0.9596 -0.1303 0.9604 -0.2463 -17.319 25.851 2.458 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 8 3 RMSD = 1.37 A TRANSFORM 0.9839 0.1128 -0.1389 0.1272 0.1046 0.9863 -0.1258 0.9881 -0.0886 -76.179 -32.526 -1.839 A 114 HIS B 0 HIS.? A 197 ASP B 131 ASP~? A 223 ALA B 4 ALA.? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 8 3 RMSD = 1.37 A TRANSFORM 0.4214 0.3604 -0.8322 -0.2583 -0.8320 -0.4910 0.8693 -0.4219 0.2575 74.011 21.497 -2.248 A 67 ASP B 93 ASP^? A 68 ALA B 70 ALA^? A 72 LEU B 65 LEU~? ULMNm 3 1uok_c05 OLIGO-1,6-GLUCOSIDASE user 8 3 RMSD = 1.38 A TRANSFORM -0.9420 0.0403 0.3332 -0.1463 -0.9427 -0.2997 -0.3021 0.3311 -0.8939 51.987 35.542 33.418 199 ASP B 115 ASP~? 242 GLU B 25 GLU.? 329 ASP A 59 ASP~? ULMNm 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 14 3 RMSD = 1.38 A TRANSFORM -0.0135 -0.3248 0.9457 0.8583 0.4814 0.1776 0.5129 -0.8141 -0.2723 14.668 74.067 33.561 229 ASP B 108 ASP^? 264 GLU B 102 GLU.? 328 ASP B 73 ASP^? ULMNm 3 1qrz_c23 PLASMINOGEN user 1 3 RMSD = 1.39 A TRANSFORM 0.0250 0.9973 0.0692 -0.2825 0.0734 -0.9565 0.9590 -0.0044 -0.2835 -54.190 8.899 43.918 D 603 HIS B 58 HIS~? D 646 ASP B 59 ASP~? D 739 GLY A 36 GLY~? ULMNm 3 1cjy_c01 CYTOSOLIC PHOSPHOLIPASE A2 user 2 3 RMSD = 1.39 A TRANSFORM -0.1974 0.0016 0.9803 -0.6714 0.7284 -0.1364 0.7143 0.6851 0.1427 116.202 69.494 123.483 B1198 GLY A 40 GLY~? B1228 SER A 114 SER~? B1549 ASP A 115 ASP~? ULMNm 3 1ehy_c00 SOLUBLE EPOXIDE HYDROLASE user 1 3 RMSD = 1.40 A TRANSFORM -0.8508 -0.0805 -0.5193 0.0900 -0.9959 0.0069 0.5178 0.0409 -0.8546 37.368 42.304 62.670 A 107 ASP A 115 ASP~? A 246 ASP B 115 ASP~? A 275 HIS A 58 HIS~? ULMNm 3 1cjy_c01 CYTOSOLIC PHOSPHOLIPASE A2 user 4 3 RMSD = 1.41 A TRANSFORM 0.2236 -0.3402 0.9134 0.6714 -0.6255 -0.3974 -0.7065 -0.7021 -0.0886 115.386 67.733 133.269 B1198 GLY B 40 GLY~? B1228 SER B 114 SER~? B1549 ASP B 115 ASP~? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 3 3 RMSD = 1.41 A TRANSFORM -0.6927 -0.6980 0.1815 0.0742 -0.3193 -0.9447 -0.7174 0.6410 -0.2730 18.385 58.672 88.581 A 241 ASP B 59 ASP~? A 265 GLU B 69 GLU.? A 369 ASP A 110 ASP^? ULMNm 3 1ehy_c00 SOLUBLE EPOXIDE HYDROLASE user 2 3 RMSD = 1.42 A TRANSFORM 0.8374 0.2572 -0.4822 -0.0850 0.9329 0.3500 -0.5399 0.2522 -0.8031 29.381 37.751 66.509 A 107 ASP B 115 ASP~? A 246 ASP A 115 ASP~? A 275 HIS B 58 HIS~? ULMNm 3 1aql_c03 BILE-SALT ACTIVATED LIPASE user 4 3 RMSD = 1.43 A TRANSFORM -0.4677 0.0630 -0.8816 0.8829 0.0806 -0.4626 -0.0419 0.9948 0.0933 53.377 67.574 28.397 B 194 SER B 114 SER~? B 292 ASP B 131 ASP~? B 322 HIS A 41 HIS~? ULMNm 3 1aql_c02 BILE-SALT ACTIVATED LIPASE user 5 3 RMSD = 1.44 A TRANSFORM 0.0771 0.9295 -0.3606 -0.9962 0.0862 0.0092 -0.0396 -0.3586 -0.9327 46.444 44.604 50.706 A 194 SER B 114 SER~? A 292 ASP B 131 ASP~? A 322 HIS A 41 HIS~? ULMNm 3 1n2t_c02 L-CYSTEINE-CYSTINE LYASE C-DES user 11 3 RMSD = 1.44 A TRANSFORM -0.0114 -0.5629 -0.8264 0.6388 0.6317 -0.4391 -0.7693 0.5329 -0.3524 -47.437 -7.290 -14.521 A 114 HIS B 58 HIS~? A 197 ASP B 115 ASP~? A 223 ALA A 42 ALA~? ULMNm 3 1n2t_c02 L-CYSTEINE-CYSTINE LYASE C-DES user 6 3 RMSD = 1.44 A TRANSFORM -0.0236 0.8103 -0.5856 -0.6456 -0.4596 -0.6099 0.7633 -0.3637 -0.5339 -51.163 1.054 -18.427 A 114 HIS A 58 HIS~? A 197 ASP A 115 ASP~? A 223 ALA B 42 ALA~? ULMNm 3 1n2t_c03 L-CYSTEINE-CYSTINE LYASE C-DES user 11 3 RMSD = 1.45 A TRANSFORM -0.0004 0.5696 0.8219 -0.5082 -0.7080 0.4904 -0.8612 0.4175 -0.2897 -46.277 2.927 -13.665 B 114 HIS B 58 HIS~? B 197 ASP B 115 ASP~? B 223 ALA A 42 ALA~? ULMNm 3 1n2t_c03 L-CYSTEINE-CYSTINE LYASE C-DES user 6 3 RMSD = 1.45 A TRANSFORM 0.0352 -0.8147 0.5788 0.5159 0.5108 0.6877 0.8559 -0.2744 -0.4383 -42.617 -4.686 -18.902 B 114 HIS A 58 HIS~? B 197 ASP A 115 ASP~? B 223 ALA B 42 ALA~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 18 3 RMSD = 1.45 A TRANSFORM 0.7810 -0.5855 0.2173 -0.6139 -0.6557 0.4395 0.1149 0.4766 0.8716 20.994 18.043 -4.778 A 229 ALA B 116 ALA~? A 257 ALA B 87 ALA^? A 328 ASP B 110 ASP^? ULMNm 3 1ddj_c13 PLASMINOGEN user 2 3 RMSD = 1.45 A TRANSFORM -0.4390 -0.7916 -0.4251 0.5845 0.1077 -0.8042 -0.6824 0.6015 -0.4154 -22.560 50.740 -12.413 B 603 HIS A 58 HIS~? B 646 ASP A 59 ASP~? B 739 GLY B 36 GLY~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 11 3 RMSD = 1.46 A TRANSFORM -0.5390 -0.7559 -0.3714 -0.6933 0.1478 0.7054 0.4783 -0.6377 0.6037 54.931 24.601 -5.767 A 229 ALA B 46 ALA~? A 257 ALA B 42 ALA~? A 328 ASP B 59 ASP~? ULMNm 3 1ddj_c14 PLASMINOGEN user 2 3 RMSD = 1.46 A TRANSFORM 0.4015 -0.1528 0.9030 -0.5060 0.7848 0.3578 0.7634 0.6006 -0.2378 -0.594 55.072 64.340 C 603 HIS A 58 HIS~? C 646 ASP A 59 ASP~? C 739 GLY B 36 GLY~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 2 3 RMSD = 1.47 A TRANSFORM 0.5222 0.8474 -0.0963 0.7099 -0.3694 0.5997 -0.4726 0.3815 0.7944 45.903 20.192 -4.799 A 229 ALA A 46 ALA~? A 257 ALA A 42 ALA~? A 328 ASP A 59 ASP~? ULMNm 3 1qgx_c02 3',5'-ADENOSINE BISPHOSPHATASE user 7 3 RMSD = 1.48 A TRANSFORM 0.7263 -0.6214 -0.2941 -0.6620 -0.5169 -0.5428 -0.1852 -0.5889 0.7867 9.326 27.415 -37.284 A 49 ASP A 115 ASP~? A 147 THR B 57 THR~? A 294 ASP B 115 ASP~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 7 3 RMSD = 1.48 A TRANSFORM 0.1537 0.5231 0.8383 0.3531 0.7633 -0.5410 0.9229 -0.3792 0.0674 5.132 44.328 9.995 A 229 ALA A 105 ALA.? A 257 ALA A 104 ALA.? A 328 ASP A 108 ASP^? ULMNm 3 1ddj_c13 PLASMINOGEN user 4 3 RMSD = 1.48 A TRANSFORM 0.4201 0.8968 -0.1390 -0.6111 0.1663 -0.7739 0.6709 -0.4101 -0.6178 -30.793 55.543 -15.213 B 603 HIS B 58 HIS~? B 646 ASP B 59 ASP~? B 739 GLY A 36 GLY~? ULMNm 3 1ddj_c14 PLASMINOGEN user 4 3 RMSD = 1.49 A TRANSFORM -0.3712 -0.1746 0.9120 0.5218 -0.8516 0.0493 -0.7681 -0.4942 -0.4072 2.656 55.348 73.724 C 603 HIS B 58 HIS~? C 646 ASP B 59 ASP~? C 739 GLY A 36 GLY~?