*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 3 3 RMSD = 0.85 A TRANSFORM -0.0787 -0.9911 0.1077 -0.7021 0.1318 0.6998 0.7077 0.0205 0.7062 53.111 3.794 37.807 A 229 ALA B 59 ALA^? A 257 ALA B 69 ALA^? A 328 ASP B 65 ASP.? ULMNm 3 1bs4_c02 PEPTIDE DEFORMYLASE user 1 3 RMSD = 0.96 A TRANSFORM 0.8824 0.4702 0.0160 -0.4447 0.8447 -0.2979 0.1536 -0.2557 -0.9545 59.749 38.268 69.298 C1050 GLN A 11 GLN.? C1091 LEU A 8 LEU~? C1133 GLU A 115 GLU~? ULMNm 3 1bs4_c00 PEPTIDE DEFORMYLASE user 1 3 RMSD = 0.97 A TRANSFORM 0.9070 -0.3335 0.2570 0.4012 0.8698 -0.2873 0.1277 -0.3637 -0.9227 34.649 42.641 93.055 A 50 GLN A 11 GLN.? A 91 LEU A 8 LEU~? A 133 GLU A 115 GLU~? ULMNm 3 1bsj_c00 PEPTIDE DEFORMYLASE user 1 3 RMSD = 0.99 A TRANSFORM -0.2007 -0.9070 0.3702 0.6993 -0.3973 -0.5943 -0.6861 -0.1396 -0.7140 36.378 68.404 90.794 A 50 GLN A 11 GLN.? A 91 LEU A 8 LEU~? A 133 GLU A 115 GLU~? ULMNm 3 1bs4_c01 PEPTIDE DEFORMYLASE user 1 3 RMSD = 0.99 A TRANSFORM -0.2467 -0.9584 0.1436 -0.9663 0.2320 -0.1118 -0.0739 0.1663 0.9833 92.761 50.535 30.414 B 550 GLN A 11 GLN.? B 591 LEU A 8 LEU~? B 633 GLU A 115 GLU~? ULMNm 3 1qgx_c02 3',5'-ADENOSINE BISPHOSPHATASE user 4 3 RMSD = 1.12 A TRANSFORM -0.7049 -0.1673 -0.6893 -0.6985 -0.0052 0.7156 0.1233 -0.9859 0.1132 -10.527 -10.187 -9.016 A 49 ASP B 41 ASP^? A 147 THR B 39 THR^? A 294 ASP B 19 ASP~? ULMNm 3 1dfo_c05 SERINE HYDROXYMETHYLTRANSFERASE user 3 3 RMSD = 1.12 A TRANSFORM -0.3760 -0.8607 -0.3431 -0.0838 0.4004 -0.9125 -0.9228 0.3144 0.2227 38.693 108.108 57.210 B 57 GLU A 14 GLU^? B 226 THR A 75 THR.? B 229 LYS A 2 LYS^? ULMNm 3 1dfo_c04 SERINE HYDROXYMETHYLTRANSFERASE user 3 3 RMSD = 1.12 A TRANSFORM 0.4265 0.4691 -0.7733 0.1500 -0.8798 -0.4511 0.8920 -0.0764 0.4456 17.247 119.322 44.262 A 57 GLU A 14 GLU^? A 226 THR A 75 THR.? A 229 LYS A 2 LYS^? ULMNm 3 1dfo_c07 SERINE HYDROXYMETHYLTRANSFERASE user 3 3 RMSD = 1.12 A TRANSFORM 0.6277 -0.6827 -0.3741 0.0862 -0.4166 0.9050 0.7736 0.6004 0.2026 30.656 35.675 42.311 D 57 GLU A 14 GLU^? D 226 THR A 75 THR.? D 229 LYS A 2 LYS^? ULMNm 3 1dfo_c06 SERINE HYDROXYMETHYLTRANSFERASE user 3 3 RMSD = 1.12 A TRANSFORM -0.5760 0.2777 -0.7688 -0.1533 0.8872 0.4353 -0.8029 -0.3686 0.4685 31.979 24.242 67.229 C 57 GLU A 14 GLU^? C 226 THR A 75 THR.? C 229 LYS A 2 LYS^? ULMNm 3 1qgx_c02 3',5'-ADENOSINE BISPHOSPHATASE user 2 3 RMSD = 1.14 A TRANSFORM 0.7076 -0.1719 0.6854 0.6943 -0.0109 -0.7196 -0.1312 -0.9850 -0.1117 -5.951 17.464 -6.340 A 49 ASP A 41 ASP^? A 147 THR A 39 THR^? A 294 ASP A 19 ASP~? ULMNm 3 1cjy_c01 CYTOSOLIC PHOSPHOLIPASE A2 user 5 3 RMSD = 1.22 A TRANSFORM 0.2181 0.4654 -0.8578 0.4634 -0.8229 -0.3287 0.8589 0.3259 0.3952 132.142 97.505 134.485 B1198 GLY B 79 GLY^? B1228 SER B 0 SER.? B1549 ASP A 92 ASP.? ULMNm 3 2odj_o01 PORIN D user 2 3 RMSD = 1.23 A TRANSFORM -0.4460 0.8272 0.3419 -0.1882 -0.4601 0.8677 -0.8750 -0.3226 -0.3609 -38.498 -21.121 74.665 B 156 HIS B 85 HIS.? B 208 ASP B 91 ASP.? B 296 SER B 98 SER~? ULMNm 3 1cjy_c00 CYTOSOLIC PHOSPHOLIPASE A2 user 5 3 RMSD = 1.23 A TRANSFORM -0.1625 0.9342 -0.3177 0.3242 -0.2535 -0.9114 0.9319 0.2511 0.2617 29.614 9.857 66.815 A 198 GLY B 79 GLY^? A 228 SER B 0 SER.? A 549 ASP A 92 ASP.? ULMNm 3 1ddj_c15 PLASMINOGEN user 1 3 RMSD = 1.24 A TRANSFORM -0.1787 -0.0215 0.9837 0.9719 -0.1597 0.1731 -0.1533 -0.9869 -0.0495 -35.006 51.464 59.283 D 603 HIS A 94 HIS.? D 646 ASP A 92 ASP.? D 739 GLY A 79 GLY^? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 1 3 RMSD = 1.28 A TRANSFORM 0.0837 -0.9894 -0.1184 0.6601 0.1440 -0.7373 -0.7465 0.0164 -0.6652 60.491 31.749 33.902 A 229 ALA A 59 ALA^? A 257 ALA A 69 ALA^? A 328 ASP A 65 ASP.? ULMNm 3 2amg_c02 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 4 3 RMSD = 1.28 A TRANSFORM -0.2929 0.6131 -0.7337 0.5436 -0.5244 -0.6553 0.7865 0.5908 0.1797 19.536 130.114 6.272 193 ASP B 91 ASP.? 219 GLU B 93 GLU.? 294 ASP A 92 ASP.? ULMNm 3 1qrz_c21 PLASMINOGEN user 1 3 RMSD = 1.28 A TRANSFORM 0.7427 -0.3062 -0.5955 -0.2600 0.6876 -0.6779 -0.6170 -0.6584 -0.4311 -24.657 2.476 5.090 B 603 HIS B 94 HIS.? B 646 ASP B 92 ASP.? B 739 GLY A 7 GLY~? ULMNm 3 1bsj_c00 PEPTIDE DEFORMYLASE user 4 3 RMSD = 1.30 A TRANSFORM 0.1754 -0.9149 -0.3637 -0.8029 -0.3467 0.4849 0.5697 -0.2070 0.7954 43.116 38.487 90.545 A 50 GLN B 11 GLN.? A 91 LEU B 8 LEU~? A 133 GLU B 115 GLU~? ULMNm 3 1qrz_c22 PLASMINOGEN user 1 3 RMSD = 1.31 A TRANSFORM 0.8111 0.5498 0.1997 0.2643 -0.6490 0.7134 -0.5218 0.5258 0.6717 0.368 -9.878 -16.849 C 603 HIS B 94 HIS.? C 646 ASP B 92 ASP.? C 739 GLY A 7 GLY~? ULMNm 3 1bs4_c00 PEPTIDE DEFORMYLASE user 3 3 RMSD = 1.31 A TRANSFORM -0.8911 -0.2543 -0.3759 -0.3632 0.8962 0.2549 -0.2720 -0.3636 0.8909 17.896 33.006 69.469 A 50 GLN B 11 GLN.? A 91 LEU B 8 LEU~? A 133 GLU B 115 GLU~? ULMNm 3 1qrz_c23 PLASMINOGEN user 1 3 RMSD = 1.32 A TRANSFORM 0.8304 0.5099 0.2247 0.2392 -0.6904 0.6827 -0.5032 0.5132 0.6953 -53.417 -8.762 21.318 D 603 HIS B 94 HIS.? D 646 ASP B 92 ASP.? D 739 GLY A 7 GLY~? ULMNm 3 1bs4_c02 PEPTIDE DEFORMYLASE user 3 3 RMSD = 1.32 A TRANSFORM -0.8332 0.5410 -0.1145 0.4697 0.8017 0.3696 -0.2918 -0.2542 0.9221 43.308 46.938 45.154 C1050 GLN B 11 GLN.? C1091 LEU B 8 LEU~? C1133 GLU B 115 GLU~? ULMNm 3 1bs4_c01 PEPTIDE DEFORMYLASE user 3 3 RMSD = 1.33 A TRANSFORM 0.1854 -0.9735 -0.1341 0.9594 0.1498 0.2389 0.2125 0.1730 -0.9617 95.570 70.946 52.943 B 550 GLN B 11 GLN.? B 591 LEU B 8 LEU~? B 633 GLU B 115 GLU~? ULMNm 3 1qrz_c20 PLASMINOGEN user 1 3 RMSD = 1.34 A TRANSFORM 0.7468 -0.3497 -0.5657 -0.2546 0.6355 -0.7289 -0.6144 -0.6884 -0.3855 3.084 4.205 42.975 A 603 HIS B 94 HIS.? A 646 ASP B 92 ASP.? A 739 GLY A 7 GLY~? ULMNm 3 1kim_c00 THYMIDINE KINASE user 1 3 RMSD = 1.35 A TRANSFORM 0.8177 0.4556 0.3518 0.0854 0.5083 -0.8569 0.5693 -0.7308 -0.3768 23.714 95.736 55.763 A 83 GLU A 14 GLU^? A 163 ARG A 17 ARG~? A 222 ARG A 67 ARG.? ULMNm 3 1pnl_c00 PENICILLIN AMIDOHYDROLASE user 2 3 RMSD = 1.36 A TRANSFORM -0.2134 0.0827 0.9735 -0.4598 0.8707 -0.1748 0.8620 0.4849 0.1478 8.604 7.292 64.418 B 1 SER B 66 SER.? B 69 ALA B 69 ALA^? B 241 ASN B 63 ASN.? ULMNm 3 1inp_c02 INOSITOL POLYPHOSPHATE 1-PHOSPHATASEuser 3 3 RMSD = 1.37 A TRANSFORM -0.0760 0.7894 -0.6091 0.8734 0.3475 0.3413 -0.4811 0.5061 0.7159 -10.583 -5.142 24.146 54 ASP A 41 ASP^? 158 THR A 39 THR^? 317 ASP A 19 ASP~? ULMNm 3 2tmd_c03 TRIMETHYLAMINE DEHYDROGENASE user 2 3 RMSD = 1.37 A TRANSFORM -0.0206 0.9925 -0.1202 -0.8218 0.0517 0.5675 -0.5694 -0.1105 -0.8146 28.592 -23.011 39.485 B 169 TYR B 82 TYR^? B 172 HIS B 94 HIS.? B 174 TYR B 89 TYR.? ULMNm 3 2tmd_c02 TRIMETHYLAMINE DEHYDROGENASE user 2 3 RMSD = 1.37 A TRANSFORM -0.2145 -0.9640 0.1569 -0.9345 0.1559 -0.3199 -0.2839 0.2152 0.9344 37.797 6.974 -24.919 A 169 TYR B 82 TYR^? A 172 HIS B 94 HIS.? A 174 TYR B 89 TYR.? ULMNm 3 1cjy_c01 CYTOSOLIC PHOSPHOLIPASE A2 user 4 3 RMSD = 1.37 A TRANSFORM -0.0262 -0.1982 0.9798 -0.4031 -0.8948 -0.1917 -0.9148 0.4000 0.0565 138.944 69.097 84.819 B1198 GLY B 62 GLY^? B1228 SER B 66 SER.? B1549 ASP B 65 ASP.? ULMNm 3 1inp_c02 INOSITOL POLYPHOSPHATE 1-PHOSPHATASEuser 5 3 RMSD = 1.37 A TRANSFORM 0.0784 0.7895 0.6088 -0.8681 0.3543 -0.3477 0.4902 0.5012 -0.7131 -16.354 -17.295 48.915 54 ASP B 41 ASP^? 158 THR B 39 THR^? 317 ASP B 19 ASP~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 2 3 RMSD = 1.38 A TRANSFORM 0.9186 -0.3765 -0.1202 -0.2663 -0.8144 0.5156 0.2920 0.4416 0.8484 -1.802 6.316 -18.556 141 ASP A 20 ASP~? 166 GLY A 7 GLY~? 169 GLU A 4 GLU.? ULMNm 3 1id3_d00 STRUCTURAL PROTEIN/DNA user 2 3 RMSD = 1.39 A TRANSFORM 0.1144 -0.8336 0.5404 -0.2285 -0.5515 -0.8023 -0.9668 0.0317 0.2535 34.449 4.181 -66.699 E 40 ARG A 67 ARG.? E 41 TYR A 68 TYR.? E 83 ARG B 42 ARG^? ULMNm 3 1pnl_c00 PENICILLIN AMIDOHYDROLASE user 1 3 RMSD = 1.41 A TRANSFORM 0.2624 0.0589 -0.9632 0.4190 0.8922 0.1687 -0.8693 0.4478 -0.2094 28.816 11.860 48.690 B 1 SER A 66 SER.? B 69 ALA A 69 ALA^? B 241 ASN A 63 ASN.? ULMNm 3 1lci_c00 LUCIFERASE user 2 3 RMSD = 1.42 A TRANSFORM -0.8234 0.2475 -0.5106 0.1155 -0.8080 -0.5778 0.5556 0.5347 -0.6367 -11.128 103.182 44.826 218 ARG B 37 ARG^? 245 HIS A 94 HIS.? 343 THR B 75 THR.? ULMNm 3 1hto_c00 GLUTAMINE SYNTHETASE user 2 3 RMSD = 1.42 A TRANSFORM -0.2547 -0.9651 -0.0610 -0.6361 0.1197 0.7623 0.7284 -0.2329 0.6444 92.481 31.273 133.776 A 50 ASP B 41 ASP^? A 327 GLU A 14 GLU^? A 339 ARG A 17 ARG~? ULMNm 3 1daa_c00 D-AMINO ACID AMINOTRANSFERASE user 3 3 RMSD = 1.43 A TRANSFORM 0.9007 0.4150 0.1287 -0.1416 0.5604 -0.8160 0.4108 -0.7167 -0.5635 41.372 6.235 63.811 A 145 LYS A 111 LYS~? A 177 GLU A 9 GLU~? A 201 LEU A 8 LEU~? ULMNm 3 2z3x_d00 DNA BINDING PROTEIN/DNA user 1 3 RMSD = 1.43 A TRANSFORM 0.9613 -0.2030 0.1862 0.1727 -0.0825 -0.9815 -0.2146 -0.9757 0.0443 -40.097 62.097 92.424 B 34 SER A 66 SER.? B 37 ASN A 63 ASN.? B 45 THR A 12 THR^? ULMNm 3 1bgl_c08 BETA-GALACTOSIDASE user 2 3 RMSD = 1.45 A TRANSFORM 0.8964 0.0630 0.4387 0.3036 -0.8084 -0.5043 -0.3229 -0.5853 0.7438 21.490 170.019 0.272 A 461 GLU A 4 GLU.? A 503 TYR B 82 TYR^? A 537 GLU B 48 GLU.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 4 3 RMSD = 1.47 A TRANSFORM -0.9135 -0.3883 0.1213 0.2962 -0.8393 -0.4558 -0.2788 0.3805 -0.8818 -24.906 19.193 -8.410 141 ASP B 20 ASP~? 166 GLY B 7 GLY~? 169 GLU B 4 GLU.? ULMNm 3 1cjy_c00 CYTOSOLIC PHOSPHOLIPASE A2 user 4 3 RMSD = 1.49 A TRANSFORM 0.2384 0.5472 0.8023 -0.1357 -0.7993 0.5854 -0.9616 0.2484 0.1163 52.943 4.245 14.495 A 198 GLY B 62 GLY^? A 228 SER B 66 SER.? A 549 ASP B 65 ASP.?