*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 2wwt_o05 INTRACELLULAR SUBTILISIN PROTEASE user 4 3 RMSD = 0.91 A TRANSFORM -0.2840 0.4158 -0.8640 -0.8510 -0.5244 0.0274 0.4417 -0.7431 -0.5028 -93.696 29.278 57.892 F 49 ASP A 77 ASP^? F 86 HIS A 114 HIS^? F 250 ALA A 162 ALA^? ULMNm 3 2wwt_o04 INTRACELLULAR SUBTILISIN PROTEASE user 4 3 RMSD = 0.91 A TRANSFORM 0.7815 0.0978 0.6162 -0.3311 -0.7720 0.5425 -0.5288 0.6280 0.5710 -43.031 51.099 0.422 E 49 ASP A 77 ASP^? E 86 HIS A 114 HIS^? E 250 ALA A 162 ALA^? ULMNm 3 2wwt_o02 INTRACELLULAR SUBTILISIN PROTEASE user 4 3 RMSD = 0.94 A TRANSFORM -0.3252 -0.7794 0.5355 0.8245 0.0436 0.5642 0.4631 -0.6250 -0.6285 78.607 -14.072 25.068 C 49 ASP A 77 ASP^? C 86 HIS A 114 HIS^? C 250 ALA A 162 ALA^? ULMNm 3 2wwt_o00 INTRACELLULAR SUBTILISIN PROTEASE user 4 3 RMSD = 0.96 A TRANSFORM 0.2927 -0.4946 0.8184 -0.8459 -0.5330 -0.0196 -0.4458 0.6866 0.5743 33.159 -7.134 4.677 A 49 ASP A 77 ASP^? A 86 HIS A 114 HIS^? A 250 ALA A 162 ALA^? ULMNm 3 2wwt_o00 INTRACELLULAR SUBTILISIN PROTEASE user 4 3 RMSD = 0.96 A TRANSFORM 0.2927 -0.4946 0.8184 -0.8459 -0.5330 -0.0196 -0.4458 0.6866 0.5743 33.159 -7.134 4.677 A 49 ASP A 77 ASP^? A 86 HIS A 114 HIS^? A 250 ALA A 162 ALA^? ULMNm 3 1mpy_c02 CATECHOL 2,3-DIOXYGENASE user 1 3 RMSD = 0.96 A TRANSFORM 0.1863 -0.5433 -0.8186 -0.2614 0.7757 -0.5744 -0.9471 -0.3210 -0.0025 93.213 -22.161 3.098 C 199 HIS A 53 HIS~? C 246 HIS A 62 HIS^? C 255 TYR A 116 TYR^? ULMNm 3 1mpy_c03 CATECHOL 2,3-DIOXYGENASE user 1 3 RMSD = 0.98 A TRANSFORM -0.2369 0.8169 0.5259 0.1289 0.5630 -0.8164 0.9629 0.1257 0.2386 35.861 -10.514 -2.044 D 199 HIS A 53 HIS~? D 246 HIS A 62 HIS^? D 255 TYR A 116 TYR^? ULMNm 3 2wwt_o01 INTRACELLULAR SUBTILISIN PROTEASE user 3 3 RMSD = 0.98 A TRANSFORM -0.8068 -0.1009 -0.5821 -0.3056 -0.7719 0.5575 0.5056 -0.6277 -0.5919 -18.642 17.796 60.374 B 49 ASP A 77 ASP^? B 86 HIS A 114 HIS^? B 250 ALA A 162 ALA^? ULMNm 3 2wwt_o03 INTRACELLULAR SUBTILISIN PROTEASE user 3 3 RMSD = 0.98 A TRANSFORM -0.8068 -0.5901 0.0301 -0.3755 0.4728 -0.7971 -0.4561 0.6544 0.6030 55.940 -67.635 -28.174 D 49 ASP A 77 ASP^? D 86 HIS A 114 HIS^? D 250 ALA A 162 ALA^? ULMNm 3 1mpy_c01 CATECHOL 2,3-DIOXYGENASE user 1 3 RMSD = 1.00 A TRANSFORM -0.2798 0.4688 0.8378 0.0270 -0.8685 0.4950 -0.9597 -0.1611 -0.2303 50.558 51.449 -5.668 B 199 HIS A 53 HIS~? B 246 HIS A 62 HIS^? B 255 TYR A 116 TYR^? ULMNm 3 1mpy_c00 CATECHOL 2,3-DIOXYGENASE user 1 3 RMSD = 1.05 A TRANSFORM 0.2996 -0.8037 -0.5141 0.1804 -0.4814 0.8577 0.9369 0.3497 -0.0008 106.346 37.478 -12.115 A 199 HIS A 53 HIS~? A 246 HIS A 62 HIS^? A 255 TYR A 116 TYR^? ULMNm 3 1t4c_c02 FORMYL-COENZYME A TRANSFERASE user 1 3 RMSD = 1.08 A TRANSFORM -0.9309 0.3423 -0.1276 0.3432 0.9391 0.0156 -0.1251 0.0293 0.9917 40.673 -11.660 17.766 A 261 GLY A 24 GLY.? B 17 GLN A 39 GLN^? B 140 GLU A 25 GLU^? ULMNm 3 1lio_c01 ADENOSINE KINASE user 1 3 RMSD = 1.19 A TRANSFORM -0.3832 -0.2398 -0.8920 -0.8976 0.3245 0.2983 -0.2179 -0.9150 0.3396 34.284 0.656 83.001 A 316 ALA A 30 ALA.? A 317 GLY A 31 GLY.? A 318 ASP A 28 ASP^? ULMNm 3 1qrz_c22 PLASMINOGEN user 1 3 RMSD = 1.19 A TRANSFORM -0.1802 0.5159 -0.8375 -0.1720 0.8218 0.5432 -0.9685 -0.2420 0.0594 -1.911 -36.578 3.480 C 603 HIS A 121 HIS.? C 646 ASP A 12 ASP.? C 739 GLY A 125 GLY~? ULMNm 3 1qrz_c20 PLASMINOGEN user 1 3 RMSD = 1.23 A TRANSFORM 0.8672 0.4011 -0.2952 0.1941 -0.8181 -0.5413 0.4587 -0.4121 0.7873 -17.499 30.452 38.768 A 603 HIS A 121 HIS.? A 646 ASP A 12 ASP.? A 739 GLY A 125 GLY~? ULMNm 3 1qrz_c23 PLASMINOGEN user 2 3 RMSD = 1.24 A TRANSFORM 0.0589 0.5808 -0.8119 0.1209 0.8032 0.5833 -0.9909 0.1326 0.0229 -54.941 -32.757 33.101 D 603 HIS A 121 HIS.? D 646 ASP A 12 ASP.? D 739 GLY A 127 GLY~? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.25 A TRANSFORM 0.3008 -0.9535 -0.0196 0.1560 0.0694 -0.9853 -0.9409 -0.2933 -0.1696 63.766 -25.526 -42.897 B 250 ALA A 30 ALA.? B 251 GLY A 31 GLY.? B 252 ASP A 28 ASP^? ULMNm 3 1qrz_c23 PLASMINOGEN user 1 3 RMSD = 1.25 A TRANSFORM -0.1738 0.5592 -0.8106 -0.1336 0.8021 0.5820 -0.9757 -0.2095 0.0647 -57.291 -35.895 40.777 D 603 HIS A 121 HIS.? D 646 ASP A 12 ASP.? D 739 GLY A 125 GLY~? ULMNm 3 1lij_c01 ADENOSINE KINASE user 1 3 RMSD = 1.26 A TRANSFORM 0.7122 0.6436 0.2803 -0.1125 0.4987 -0.8594 0.6930 -0.5805 -0.4276 120.453 -7.149 28.777 A 316 ALA A 30 ALA.? A 317 GLY A 31 GLY.? A 318 ASP A 28 ASP^? ULMNm 3 1xqw_c00 PROLINE IMINOPEPTIDASE user 3 3 RMSD = 1.28 A TRANSFORM -0.9906 -0.0025 -0.1365 -0.1360 -0.0657 0.9885 0.0115 -0.9978 -0.0647 14.388 10.109 32.584 A 105 ALA A 162 ALA^? A 244 ASP A 77 ASP^? A 271 HIS A 114 HIS^? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.29 A TRANSFORM 0.2359 -0.1691 0.9570 -0.2866 0.9288 0.2348 0.9285 0.3297 -0.1706 37.769 -62.204 -11.537 A 250 ALA A 30 ALA.? A 251 GLY A 31 GLY.? A 252 ASP A 28 ASP^? ULMNm 3 1grc_c02 GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMuser 1 3 RMSD = 1.30 A TRANSFORM 0.1183 0.3664 -0.9229 0.0509 0.9260 0.3741 -0.9917 0.0912 -0.0910 43.537 35.984 6.399 A 106 ASN A 63 ASN^? A 108 HIS A 15 HIS.? A 144 ASP A 12 ASP.? ULMNm 3 1iph_c01 CATALASE HPII user 1 3 RMSD = 1.31 A TRANSFORM 0.5449 -0.5533 0.6301 0.8380 0.3844 -0.3872 0.0279 -0.7390 -0.6731 8.311 -2.861 37.489 B 128 HIS A 15 HIS.? B 167 SER A 14 SER.? B 201 ASN A 42 ASN.? ULMNm 3 1iph_c00 CATALASE HPII user 1 3 RMSD = 1.31 A TRANSFORM -0.5449 0.5533 -0.6301 -0.8380 -0.3844 0.3872 0.0279 -0.7390 -0.6731 -8.311 2.861 37.489 A 128 HIS A 15 HIS.? A 167 SER A 14 SER.? A 201 ASN A 42 ASN.? ULMNm 3 1iph_c03 CATALASE HPII user 1 3 RMSD = 1.31 A TRANSFORM -0.5449 0.5533 -0.6301 0.8380 0.3844 -0.3872 -0.0279 0.7390 0.6731 -8.311 -2.861 -37.489 D 128 HIS A 15 HIS.? D 167 SER A 14 SER.? D 201 ASN A 42 ASN.? ULMNm 3 1iph_c02 CATALASE HPII user 1 3 RMSD = 1.31 A TRANSFORM 0.5449 -0.5533 0.6301 -0.8380 -0.3844 0.3872 -0.0279 0.7390 0.6731 8.311 2.861 -37.489 C 128 HIS A 15 HIS.? C 167 SER A 14 SER.? C 201 ASN A 42 ASN.? ULMNm 3 2v3r_p00 EXOGLUCANASE 1 user 3 3 RMSD = 1.33 A TRANSFORM 0.0798 -0.1944 0.9777 0.9226 -0.3570 -0.1462 -0.3774 -0.9137 -0.1509 9.812 69.922 132.590 A 270 ASN A 101 ASN.? A 384 ASN A 152 ASN.? A 385 GLU A 128 GLU~? ULMNm 3 1uk7_c00 3.07.01.0009 user 4 3 RMSD = 1.35 A TRANSFORM 0.6188 -0.4763 -0.6247 0.5530 0.8289 -0.0842 -0.5580 0.2933 -0.7763 20.035 20.344 -15.278 A 103 ALA A 162 ALA^? A 224 ASP A 77 ASP^? A 252 HIS A 114 HIS^? ULMNm 3 1vzz_c00 STEROID DELTA-ISOMERASE user 6 3 RMSD = 1.36 A TRANSFORM 0.0307 -0.7792 -0.6260 0.7136 0.4556 -0.5322 -0.6999 0.4303 -0.5701 32.987 8.313 3.928 A 16 TYR A 116 TYR^? A 40 ASP A 77 ASP^? A 103 LEU A 161 LEU^? ULMNm 3 1oya_c00 OLD YELLOW ENZYME (OXIDIZED) (OYE) (user 2 3 RMSD = 1.38 A TRANSFORM 0.6174 0.6771 0.4004 0.6589 -0.1671 -0.7334 0.4297 -0.7167 0.5493 20.915 79.852 32.404 191 HIS A 118 HIS.? 194 ASN A 73 ASN.? 196 TYR A 116 TYR^? ULMNm 3 1vzz_c01 STEROID DELTA-ISOMERASE user 5 3 RMSD = 1.39 A TRANSFORM 0.1807 -0.8333 -0.5225 -0.7051 -0.4801 0.5218 0.6857 -0.2741 0.6743 35.812 28.632 39.932 B 16 TYR A 116 TYR^? B 40 ASP A 77 ASP^? B 103 LEU A 161 LEU^? ULMNm 3 1qgn_c03 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 RMSD = 1.42 A TRANSFORM 0.6865 -0.7206 0.0971 0.7022 0.6918 0.1683 0.1885 0.0473 -0.9809 48.204 -38.425 41.830 D 155 HIS A 15 HIS.? D 236 ASP A 77 ASP^? D 261 LYS A 144 LYS.? ULMNm 3 1mpy_c02 CATECHOL 2,3-DIOXYGENASE user 2 3 RMSD = 1.42 A TRANSFORM -0.4576 0.5451 0.7024 -0.4695 -0.8190 0.3298 -0.7551 0.1789 -0.6307 72.577 14.403 -9.470 C 199 HIS A 62 HIS^? C 246 HIS A 53 HIS~? C 255 TYR A 165 TYR.? ULMNm 3 1qgn_c04 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 RMSD = 1.43 A TRANSFORM -0.6664 -0.7418 -0.0759 0.7147 -0.6644 0.2185 0.2125 -0.0914 -0.9729 85.094 -1.317 -31.110 E 155 HIS A 15 HIS.? E 236 ASP A 77 ASP^? E 261 LYS A 144 LYS.? ULMNm 3 1qgn_c00 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 RMSD = 1.43 A TRANSFORM -0.6702 0.7080 -0.2225 -0.7111 -0.6985 -0.0804 0.2124 -0.1043 -0.9716 29.366 53.597 46.913 A 155 HIS A 15 HIS.? A 236 ASP A 77 ASP^? A 261 LYS A 144 LYS.? ULMNm 3 1naa_c02 CELLOBIOSE DEHYDROGENASE user 4 3 RMSD = 1.43 A TRANSFORM 0.2430 0.9362 -0.2540 0.3517 0.1590 0.9225 -0.9040 0.3135 0.2906 -6.258 19.594 19.491 A 609 TYR A 78 TYR^? A 689 HIS A 112 HIS.? A 732 ASN A 79 ASN.? ULMNm 3 1mpy_c00 CATECHOL 2,3-DIOXYGENASE user 2 3 RMSD = 1.44 A TRANSFORM -0.2092 0.8263 0.5229 0.6273 0.5236 -0.5765 0.7502 -0.2074 0.6279 72.946 12.692 1.698 A 199 HIS A 62 HIS^? A 246 HIS A 53 HIS~? A 255 TYR A 165 TYR.? ULMNm 3 1mpy_c03 CATECHOL 2,3-DIOXYGENASE user 2 3 RMSD = 1.44 A TRANSFORM 0.2640 -0.8297 -0.4919 -0.3595 -0.5579 0.7480 0.8950 0.0207 0.4455 69.683 17.181 1.048 D 199 HIS A 62 HIS^? D 246 HIS A 53 HIS~? D 255 TYR A 165 TYR.? ULMNm 3 1ef8_c00 METHYLMALONYL COA DECARBOXYLASE user 1 3 RMSD = 1.44 A TRANSFORM -0.8358 -0.5317 -0.1364 -0.1296 -0.0503 0.9903 0.5335 -0.8454 0.0268 48.293 8.232 21.554 A 66 HIS A 112 HIS.? A 110 GLY A 111 GLY.? A 140 TYR A 78 TYR^? ULMNm 3 1qgn_c02 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 RMSD = 1.45 A TRANSFORM -0.1271 -0.9874 0.0941 -0.9615 0.0994 -0.2564 -0.2438 0.1230 0.9620 76.966 31.482 6.724 C 155 HIS A 15 HIS.? C 236 ASP A 77 ASP^? C 261 LYS A 144 LYS.? ULMNm 3 1be1_c02 GLUTAMATE MUTASE user 2 3 RMSD = 1.45 A TRANSFORM 0.4640 0.4967 -0.7335 -0.8855 0.2355 -0.4006 0.0263 -0.8353 -0.5491 -14.738 -20.367 13.310 14 ASP A 12 ASP.? 16 HIS A 62 HIS^? 67 GLY A 24 GLY.? ULMNm 3 1qgn_c05 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 RMSD = 1.45 A TRANSFORM 0.9697 -0.1700 0.1757 -0.1649 -0.9854 -0.0430 -0.1805 -0.0127 0.9835 20.465 36.744 -67.447 F 155 HIS A 15 HIS.? F 236 ASP A 77 ASP^? F 261 LYS A 144 LYS.? ULMNm 3 2pth_c00 PEPTIDYL-TRNA HYDROLASE user 1 3 RMSD = 1.46 A TRANSFORM 0.8958 0.3227 -0.3055 -0.4173 0.3745 -0.8280 0.1528 -0.8693 -0.4701 52.145 23.584 69.052 10 ASN A 42 ASN.? 20 HIS A 15 HIS.? 93 ASP A 12 ASP.? ULMNm 3 1naa_c03 CELLOBIOSE DEHYDROGENASE user 4 3 RMSD = 1.46 A TRANSFORM -0.5441 0.3710 -0.7526 -0.1620 -0.9265 -0.3396 0.8233 0.0629 -0.5642 23.179 44.764 -34.549 B 609 TYR A 78 TYR^? B 689 HIS A 112 HIS.? B 732 ASN A 79 ASN.? ULMNm 3 1qgn_c06 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 RMSD = 1.46 A TRANSFORM -0.9569 0.1630 -0.2404 0.1794 0.9826 -0.0478 -0.2284 0.0889 0.9695 59.633 -48.234 -69.871 G 155 HIS A 15 HIS.? G 236 ASP A 77 ASP^? G 261 LYS A 144 LYS.? ULMNm 3 1mpy_c01 CATECHOL 2,3-DIOXYGENASE user 2 3 RMSD = 1.47 A TRANSFORM 0.3890 -0.4875 -0.7817 0.2229 0.8731 -0.4336 -0.8939 0.0056 -0.4483 68.070 11.516 -10.126 B 199 HIS A 62 HIS^? B 246 HIS A 53 HIS~? B 255 TYR A 165 TYR.? ULMNm 3 1qgn_c07 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 RMSD = 1.47 A TRANSFORM 0.6626 0.7339 0.1493 -0.7233 0.6788 -0.1266 0.1943 0.0241 -0.9807 -7.777 -14.411 -34.979 H 155 HIS A 15 HIS.? H 236 ASP A 77 ASP^? H 261 LYS A 144 LYS.? ULMNm 3 1qgn_c01 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 RMSD = 1.47 A TRANSFORM 0.1007 0.9939 0.0454 0.9819 -0.1067 0.1566 -0.1605 -0.0288 0.9866 -5.096 -13.035 10.501 B 155 HIS A 15 HIS.? B 236 ASP A 77 ASP^? B 261 LYS A 144 LYS.? ULMNm 3 1coy_c00 CHOLESTEROL OXIDASE (E.C.1.1.3.6) COuser 1 3 RMSD = 1.48 A TRANSFORM -0.7642 0.2787 0.5817 -0.3620 -0.9317 -0.0291 -0.5338 0.2328 -0.8129 -25.809 36.619 31.102 361 GLU A 72 GLU.? 447 HIS A 118 HIS.? 485 ASN A 73 ASN.?