*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 3 3 RMSD = 0.54 A TRANSFORM -0.1743 -0.7270 -0.6641 -0.6231 -0.4408 0.6461 -0.7624 0.5265 -0.3762 74.569 -104.521 -125.529 A 420 ALA A 0 ALA.? B 182 GLY A 66 GLY.? B 183 GLY A 65 GLY.? ULMNm 3 2bhg_c02 FOOT-AND-MOUTH DISEASE VIRUS 3C PROTuser 5 3 RMSD = 1.00 A TRANSFORM 0.5661 0.1497 -0.8106 0.7348 0.3540 0.5785 0.3736 -0.9232 0.0904 27.331 -26.122 -1.588 B 46 HIS B 22 HIS.? B 163 ALA B 41 ALA~? B 182 SER B 38 SER~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 3 3 RMSD = 1.02 A TRANSFORM 0.8283 -0.5093 -0.2335 -0.3420 -0.7897 0.5093 -0.4438 -0.3420 -0.8283 1.763 16.383 35.144 141 ASP B 31 ASP~? 166 GLY A 21 GLY.? 169 GLU A 64 GLU.? ULMNm 3 1i19_c00 CHOLESTEROL OXIDASE user 2 3 RMSD = 1.06 A TRANSFORM -0.1979 -0.9491 -0.2449 -0.6826 0.3127 -0.6605 0.7035 0.0365 -0.7098 8.072 59.150 45.580 A 311 GLU B 113 GLU.? A 475 GLU B 7 GLU^? A 477 ARG B 15 ARG^? ULMNm 3 1qrz_c15 PLASMINOGEN user 1 3 RMSD = 1.07 A TRANSFORM 0.8645 0.0675 -0.4981 -0.4872 -0.1312 -0.8634 -0.1236 0.9891 -0.0805 -49.686 16.721 31.390 D 603 HIS A 22 HIS.? D 646 ASP A 31 ASP~? D 741 SER A 38 SER~? ULMNm 3 1i19_c01 CHOLESTEROL OXIDASE user 2 3 RMSD = 1.08 A TRANSFORM 0.1550 0.9495 0.2728 0.4268 0.1847 -0.8853 -0.8910 0.2537 -0.3766 48.622 21.293 101.701 B 311 GLU B 113 GLU.? B 475 GLU B 7 GLU^? B 477 ARG B 15 ARG^? ULMNm 3 1qrz_c12 PLASMINOGEN user 1 3 RMSD = 1.09 A TRANSFORM 0.3769 -0.9211 -0.0975 0.4352 0.0832 0.8965 -0.8176 -0.3804 0.4322 -4.744 -22.087 38.236 A 603 HIS A 22 HIS.? A 646 ASP A 31 ASP~? A 741 SER A 38 SER~? ULMNm 3 1qrz_c14 PLASMINOGEN user 1 3 RMSD = 1.16 A TRANSFORM 0.8982 0.0781 -0.4326 -0.4216 -0.1251 -0.8981 -0.1243 0.9891 -0.0795 2.465 16.502 -6.834 C 603 HIS A 22 HIS.? C 646 ASP A 31 ASP~? C 741 SER A 38 SER~? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 1 3 RMSD = 1.17 A TRANSFORM 0.3057 0.9518 -0.0259 0.5034 -0.1846 -0.8441 -0.8082 0.2450 -0.5356 18.131 -79.079 -113.487 A 420 ALA A 0 ALA.? B 182 GLY A 65 GLY.? B 183 GLY A 21 GLY.? ULMNm 3 1kim_c00 THYMIDINE KINASE user 3 3 RMSD = 1.19 A TRANSFORM -0.4219 0.1574 0.8929 0.7895 0.5479 0.2765 -0.4457 0.8216 -0.3554 32.152 83.882 50.438 A 83 GLU A 13 GLU.? A 163 ARG A 81 ARG~? A 222 ARG A 15 ARG^? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 2 3 RMSD = 1.19 A TRANSFORM 0.3410 0.7834 -0.5196 0.3757 -0.6202 -0.6886 -0.8617 0.0396 -0.5058 35.092 -73.849 -110.506 A 420 ALA A 0 ALA.? B 182 GLY A 66 GLY.? B 183 GLY A 21 GLY.? ULMNm 3 2z3x_d00 DNA BINDING PROTEIN/DNA user 2 3 RMSD = 1.20 A TRANSFORM -0.4903 -0.6074 0.6251 -0.6597 -0.2100 -0.7216 0.5695 -0.7662 -0.2977 -17.774 51.817 76.931 B 34 SER A 47 SER~? B 37 ASN A 46 ASN~? B 45 THR B 108 THR^? ULMNm 3 2z3x_d00 DNA BINDING PROTEIN/DNA user 6 3 RMSD = 1.23 A TRANSFORM -0.0964 0.0156 -0.9952 -0.4305 -0.9021 0.0276 -0.8974 0.4311 0.0937 -1.210 42.566 78.607 B 34 SER B 47 SER~? B 37 ASN B 46 ASN~? B 45 THR A 108 THR^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 1 3 RMSD = 1.25 A TRANSFORM -0.7060 0.6650 0.2435 -0.2341 0.1054 -0.9665 -0.6684 -0.7393 0.0813 2.896 30.518 26.373 141 ASP A 31 ASP~? 166 GLY B 21 GLY.? 169 GLU B 64 GLU.? ULMNm 3 1un1_c00 XYLOGLUCAN ENDOTRANSGLYCOSYLASE user 2 3 RMSD = 1.27 A TRANSFORM -0.8205 0.4597 0.3396 -0.4079 -0.8872 0.2154 0.4004 0.0382 0.9155 9.502 128.679 -20.232 A 85 GLU A 13 GLU.? A 87 ASP A 11 ASP.? A 89 GLU A 10 GLU.? ULMNm 3 1f6d_c02 UDP-N-ACETYLGLUCOSAMINE 2-EPIMERASE user 3 3 RMSD = 1.27 A TRANSFORM 0.8662 0.2571 0.4285 0.3306 -0.9378 -0.1057 0.3747 0.2332 -0.8973 34.250 64.583 76.492 C 95 ASP B 31 ASP~? C 117 GLU B 24 GLU.? C 131 GLU B 27 GLU.? ULMNm 3 1qrz_c20 PLASMINOGEN user 1 3 RMSD = 1.28 A TRANSFORM 0.1867 -0.5736 0.7976 0.3646 0.7943 0.4859 -0.9122 0.2001 0.3575 -29.877 -24.957 29.518 A 603 HIS A 22 HIS.? A 646 ASP A 31 ASP~? A 739 GLY A 94 GLY~? ULMNm 3 2qv4_p00 PANCREATIC ALPHA-AMYLASE user 1 3 RMSD = 1.28 A TRANSFORM 0.6905 0.3859 -0.6118 -0.6533 -0.0306 -0.7565 -0.3107 0.9220 0.2310 12.418 108.462 -0.540 A 459 ASN A 43 ASN~? A 460 GLY B 94 GLY~? A 461 ASN B 97 ASN~? ULMNm 3 1pnl_c00 PENICILLIN AMIDOHYDROLASE user 2 3 RMSD = 1.31 A TRANSFORM -0.3154 0.1767 -0.9323 0.8297 -0.4255 -0.3614 -0.4606 -0.8875 -0.0124 21.394 22.428 61.351 B 1 SER B -2 SER.? B 69 ALA B 0 ALA.? B 241 ASN B -1 ASN.? ULMNm 3 1un1_c01 XYLOGLUCAN ENDOTRANSGLYCOSYLASE user 2 3 RMSD = 1.31 A TRANSFORM -0.9170 -0.0437 0.3965 -0.0001 -0.9940 -0.1096 0.3989 -0.1006 0.9115 3.421 179.035 -8.341 B 85 GLU A 13 GLU.? B 87 ASP A 11 ASP.? B 89 GLU A 10 GLU.? ULMNm 3 2qv4_p00 PANCREATIC ALPHA-AMYLASE user 4 3 RMSD = 1.36 A TRANSFORM 0.0296 -0.8742 0.4847 0.0027 0.4849 0.8745 -0.9996 -0.0245 0.0167 22.108 82.561 17.687 A 459 ASN B 97 ASN~? A 460 GLY B 94 GLY~? A 461 ASN A 43 ASN~? ULMNm 3 2bhg_c02 FOOT-AND-MOUTH DISEASE VIRUS 3C PROTuser 2 3 RMSD = 1.37 A TRANSFORM -0.4159 -0.0030 0.9094 0.4304 0.8803 0.1997 -0.8011 0.4744 -0.3648 12.177 -21.034 8.524 B 46 HIS A 22 HIS.? B 163 ALA A 41 ALA~? B 182 SER A 38 SER~? ULMNm 3 2qv4_p00 PANCREATIC ALPHA-AMYLASE user 3 3 RMSD = 1.37 A TRANSFORM -0.1462 0.1987 0.9691 -0.3065 -0.9405 0.1466 0.9406 -0.2756 0.1984 -1.705 96.948 -5.613 A 459 ASN B 43 ASN~? A 460 GLY A 94 GLY~? A 461 ASN A 97 ASN~? ULMNm 3 1kim_c00 THYMIDINE KINASE user 5 3 RMSD = 1.38 A TRANSFORM -0.7133 -0.1722 0.6793 -0.5974 -0.3573 -0.7179 0.3663 -0.9180 0.1520 56.464 85.034 37.037 A 83 GLU B 13 GLU.? A 163 ARG B 15 ARG^? A 222 ARG B 81 ARG~? ULMNm 3 1j53_c00 DNA POLYMERASE III, EPSILON CHAIN user 3 3 RMSD = 1.39 A TRANSFORM -0.0594 -0.5362 0.8420 -0.9637 0.2506 0.0916 -0.2601 -0.8060 -0.5317 -16.702 49.082 14.670 A 14 GLU B 62 GLU.? A 61 GLU B 59 GLU^? A 162 HIS B 22 HIS.? ULMNm 3 2qv4_p00 PANCREATIC ALPHA-AMYLASE user 2 3 RMSD = 1.40 A TRANSFORM -0.4622 0.4150 -0.7837 0.8681 0.3924 -0.3041 0.1813 -0.8209 -0.5416 38.404 91.922 18.965 A 459 ASN A 97 ASN~? A 460 GLY A 94 GLY~? A 461 ASN B 43 ASN~? ULMNm 3 1kim_c00 THYMIDINE KINASE user 2 3 RMSD = 1.40 A TRANSFORM 0.3541 -0.0531 -0.9337 -0.4379 -0.8916 -0.1154 -0.8263 0.4497 -0.3390 70.384 79.579 46.742 A 83 GLU A 13 GLU.? A 163 ARG A 15 ARG^? A 222 ARG A 81 ARG~? ULMNm 3 1d6o_c00 FK506-BINDING PROTEIN user 1 3 RMSD = 1.43 A TRANSFORM -0.1674 0.1014 0.9807 -0.8490 -0.5205 -0.0911 0.5012 -0.8478 0.1732 44.745 -10.285 6.621 A 37 ASP A 75 ASP.? A 56 ILE A 72 ILE.? A 82 TYR A 54 TYR.? ULMNm 3 1d6o_c01 FK506-BINDING PROTEIN user 1 3 RMSD = 1.45 A TRANSFORM -0.1598 0.1007 0.9820 -0.8654 -0.4930 -0.0903 0.4750 -0.8642 0.1659 47.708 -27.103 -21.184 B 37 ASP A 75 ASP.? B 56 ILE A 72 ILE.? B 82 TYR A 54 TYR.? ULMNm 3 1amo_c01 NADPH-CYTOCHROME P450 REDUCTASE user 1 3 RMSD = 1.46 A TRANSFORM 0.0504 -0.1160 -0.9920 0.6004 0.7972 -0.0627 0.7981 -0.5924 0.1098 75.181 -2.063 22.390 B 457 SER A 25 SER.? B 630 CYH A 34 CYH~? B 675 ASP A 31 ASP~? ULMNm 3 1amo_c00 NADPH-CYTOCHROME P450 REDUCTASE user 1 3 RMSD = 1.46 A TRANSFORM 0.0038 0.0702 0.9975 -0.6805 -0.7308 0.0540 0.7327 -0.6790 0.0450 -23.590 27.791 27.466 A 457 SER A 25 SER.? A 630 CYH A 34 CYH~? A 675 ASP A 31 ASP~? ULMNm 3 1xny_c00 PROPIONYL-COA CARBOXYLASE COMPLEX B user 1 3 RMSD = 1.48 A TRANSFORM -0.2014 -0.6014 -0.7731 -0.8991 0.4267 -0.0977 0.3886 0.6755 -0.6267 60.284 -67.487 -128.780 A 183 GLY A 21 GLY.? B 419 GLY A 65 GLY.? B 420 ALA A 23 ALA.? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 1 3 RMSD = 1.48 A TRANSFORM 0.4296 0.4762 -0.7672 0.1196 -0.8721 -0.4744 -0.8950 0.1120 -0.4317 37.933 55.679 -27.766 D 465 GLY B 53 GLY.? D 501 ASP B 11 ASP.? E 367 TYR A 102 TYR~?