*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 4 1o04_c03 ALDEHYDE DEHYDROGENASE, MITOCHONDRIAuser 1 4 RMSD = 1.42 A TRANSFORM -0.8251 -0.2879 -0.4861 -0.1841 0.9504 -0.2506 -0.5341 0.1173 0.8372 99.143 -8.296 68.854 D 192 LYS A 114 LYS.? D 268 GLU A 122 GLU~? D 302 SER A 80 SER~? D 399 GLU A 85 GLU~? ULMNm 4 1o04_c01 ALDEHYDE DEHYDROGENASE, MITOCHONDRIAuser 1 4 RMSD = 1.42 A TRANSFORM -0.7517 0.5213 0.4041 -0.4730 -0.8530 0.2205 -0.4596 0.0254 -0.8877 60.538 81.107 71.083 B 192 LYS A 114 LYS.? B 268 GLU A 122 GLU~? B 302 SER A 80 SER~? B 399 GLU A 85 GLU~? ULMNm 4 1o04_c04 ALDEHYDE DEHYDROGENASE, MITOCHONDRIAuser 1 4 RMSD = 1.42 A TRANSFORM -0.8358 -0.2523 -0.4877 0.1529 -0.9600 0.2347 0.5274 -0.1216 -0.8409 99.222 161.144 109.054 E 192 LYS A 114 LYS.? E 268 GLU A 122 GLU~? E 302 SER A 80 SER~? E 399 GLU A 85 GLU~? ULMNm 4 1o04_c06 ALDEHYDE DEHYDROGENASE, MITOCHONDRIAuser 1 4 RMSD = 1.42 A TRANSFORM -0.7705 0.4823 0.4168 0.4349 0.8758 -0.2095 0.4661 -0.0198 0.8845 64.218 70.461 105.807 G 192 LYS A 114 LYS.? G 268 GLU A 122 GLU~? G 302 SER A 80 SER~? G 399 GLU A 85 GLU~? ULMNm 4 1o04_c07 ALDEHYDE DEHYDROGENASE, MITOCHONDRIAuser 1 4 RMSD = 1.42 A TRANSFORM 0.7532 -0.5812 -0.3080 -0.2245 0.2131 -0.9509 -0.6183 -0.7854 -0.0300 81.399 114.600 163.525 H 192 LYS A 114 LYS.? H 268 GLU A 122 GLU~? H 302 SER A 80 SER~? H 399 GLU A 85 GLU~? ULMNm 4 1o04_c02 ALDEHYDE DEHYDROGENASE, MITOCHONDRIAuser 1 4 RMSD = 1.43 A TRANSFORM 0.8416 0.3446 0.4159 0.3936 0.1359 -0.9092 0.3698 -0.9289 0.0213 35.501 17.190 97.933 C 192 LYS A 114 LYS.? C 268 GLU A 122 GLU~? C 302 SER A 80 SER~? C 399 GLU A 85 GLU~? ULMNm 4 1o04_c05 ALDEHYDE DEHYDROGENASE, MITOCHONDRIAuser 1 4 RMSD = 1.43 A TRANSFORM 0.8589 0.3484 0.3754 -0.3543 -0.1253 0.9267 -0.3699 0.9289 -0.0158 36.503 133.288 79.346 F 192 LYS A 114 LYS.? F 268 GLU A 122 GLU~? F 302 SER A 80 SER~? F 399 GLU A 85 GLU~? ULMNm 4 1o04_c00 ALDEHYDE DEHYDROGENASE, MITOCHONDRIAuser 1 4 RMSD = 1.44 A TRANSFORM 0.7398 -0.5711 -0.3558 0.2673 -0.2358 0.9343 0.6175 0.7863 0.0218 79.614 37.318 13.847 A 192 LYS A 114 LYS.? A 268 GLU A 122 GLU~? A 302 SER A 80 SER~? A 399 GLU A 85 GLU~? ULMNm 3 1aql_c02 BILE-SALT ACTIVATED LIPASE user 2 3 RMSD = 0.70 A TRANSFORM 0.9776 -0.2068 -0.0380 0.0234 -0.0725 0.9971 0.2090 0.9757 0.0661 1.750 9.395 2.545 A 194 SER A 110 SER~? A 292 ASP A 120 ASP~? A 322 HIS A 146 HIS.? ULMNm 3 1aql_c03 BILE-SALT ACTIVATED LIPASE user 2 3 RMSD = 0.77 A TRANSFORM 0.5013 0.6961 0.5140 0.3538 0.3772 -0.8559 0.7897 -0.6109 0.0572 -17.357 66.383 4.839 B 194 SER A 110 SER~? B 292 ASP A 120 ASP~? B 322 HIS A 146 HIS.? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 6 3 RMSD = 0.83 A TRANSFORM -0.5994 -0.3326 0.7281 0.4038 -0.9110 -0.0837 -0.6911 -0.2438 -0.6804 27.527 13.164 202.749 C 70 ALA A 99 ALA~? C 126 LEU A 103 LEU~? C 158 GLU A 26 GLU~? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 6 3 RMSD = 0.84 A TRANSFORM 0.6339 -0.6292 -0.4497 0.2722 0.7257 -0.6319 -0.7239 -0.2782 -0.6313 -27.072 -21.054 205.465 B 70 ALA A 99 ALA~? B 126 LEU A 103 LEU~? B 158 GLU A 26 GLU~? ULMNm 3 1ddj_c12 PLASMINOGEN user 1 3 RMSD = 0.85 A TRANSFORM 0.8264 0.2845 0.4859 -0.3157 0.9487 -0.0185 0.4662 0.1381 -0.8738 -31.723 26.898 -11.876 A 603 HIS A 23 HIS~? A 646 ASP A 76 ASP~? A 739 GLY A 69 GLY.? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 6 3 RMSD = 0.85 A TRANSFORM -0.1106 0.9303 -0.3497 -0.7424 0.1566 0.6513 -0.6607 -0.3316 -0.6734 -28.396 44.352 203.674 A 70 ALA A 99 ALA~? A 126 LEU A 103 LEU~? A 158 GLU A 26 GLU~? ULMNm 3 3hde_o00 LYSOZYME user 7 3 RMSD = 0.94 A TRANSFORM -0.5442 -0.8113 0.2136 -0.8089 0.5750 0.1228 0.2225 0.1060 0.9692 35.906 -17.759 -49.392 A 35 GLU A 126 GLU~? A 44 ASP A 120 ASP~? A 50 THR A 118 THR.? ULMNm 3 1ddj_c14 PLASMINOGEN user 1 3 RMSD = 0.94 A TRANSFORM 0.8552 0.2326 0.4631 -0.2879 0.9563 0.0512 0.4309 0.1771 -0.8848 -32.555 23.603 50.944 C 603 HIS A 23 HIS~? C 646 ASP A 76 ASP~? C 739 GLY A 69 GLY.? ULMNm 3 1bol_c00 RIBONUCLEASE RH user 3 3 RMSD = 0.97 A TRANSFORM 0.2258 -0.9175 -0.3275 0.3017 -0.2538 0.9190 0.9263 0.3063 -0.2195 83.993 39.483 -48.684 A 46 HIS A 55 HIS~? A 105 GLU A 8 GLU~? A 109 HIS A 11 HIS~? ULMNm 3 1ddj_c13 PLASMINOGEN user 1 3 RMSD = 0.98 A TRANSFORM -0.5265 -0.7511 0.3982 0.0130 -0.4754 -0.8797 -0.8501 0.4580 -0.2601 18.267 73.383 -9.039 B 603 HIS A 23 HIS~? B 646 ASP A 76 ASP~? B 739 GLY A 69 GLY.? ULMNm 3 1ddj_c15 PLASMINOGEN user 1 3 RMSD = 1.03 A TRANSFORM -0.6981 -0.5901 0.4055 0.0373 -0.5955 -0.8025 -0.7150 0.5451 -0.4377 14.876 73.877 49.007 D 603 HIS A 23 HIS~? D 646 ASP A 76 ASP~? D 739 GLY A 69 GLY.? ULMNm 3 3nwu_o01 SERINE PROTEASE HTRA1 user 2 3 RMSD = 1.03 A TRANSFORM 0.5336 -0.0844 0.8415 -0.5698 -0.7712 0.2839 -0.6250 0.6310 0.4596 -81.688 110.402 -29.536 B 220 HIS A 71 HIS.? B 250 ASP A 119 ASP.? B 328 SER A 73 SER~? ULMNm 3 3nwu_o00 SERINE PROTEASE HTRA1 user 2 3 RMSD = 1.03 A TRANSFORM -0.5799 -0.7348 0.3518 0.6538 -0.6774 -0.3371 -0.4861 -0.0345 -0.8732 12.143 54.389 15.446 A 220 HIS A 71 HIS.? A 250 ASP A 119 ASP.? A 328 SER A 73 SER~? ULMNm 3 3nwu_o02 SERINE PROTEASE HTRA1 user 2 3 RMSD = 1.04 A TRANSFORM 0.5867 -0.7280 -0.3547 0.4404 -0.0807 0.8942 0.6796 0.6808 -0.2733 -35.646 17.826 -85.807 C 220 HIS A 71 HIS.? C 250 ASP A 119 ASP.? C 328 SER A 73 SER~? ULMNm 3 1hrk_c01 FERROCHELATASE user 2 3 RMSD = 1.07 A TRANSFORM -0.6630 -0.6741 -0.3256 0.7281 -0.6818 -0.0709 0.1743 0.2841 -0.9428 68.413 1.978 -26.305 B 263 HIS A 11 HIS~? B 341 HIS A 55 HIS~? B 343 GLU A 59 GLU~? ULMNm 3 1hrk_c00 FERROCHELATASE user 2 3 RMSD = 1.08 A TRANSFORM 0.6487 0.6895 0.3221 -0.7443 0.6632 0.0792 0.1590 0.2911 -0.9434 -67.300 -0.490 -26.121 A 263 HIS A 11 HIS~? A 341 HIS A 55 HIS~? A 343 GLU A 59 GLU~? ULMNm 3 1bol_c00 RIBONUCLEASE RH user 1 3 RMSD = 1.10 A TRANSFORM 0.6139 0.7003 -0.3642 -0.7629 0.4078 -0.5018 0.2029 -0.5859 -0.7846 -17.330 32.340 21.476 A 46 HIS A 11 HIS~? A 105 GLU A 8 GLU~? A 109 HIS A 55 HIS~? ULMNm 3 2qv4_p00 PANCREATIC ALPHA-AMYLASE user 2 3 RMSD = 1.10 A TRANSFORM -0.4278 -0.4531 0.7822 0.7464 -0.6651 0.0230 -0.5098 -0.5937 -0.6227 53.384 88.846 64.269 A 459 ASN A 31 ASN~? A 460 GLY A 29 GLY.? A 461 ASN A 30 ASN~? ULMNm 3 3hde_o01 LYSOZYME user 10 3 RMSD = 1.14 A TRANSFORM -0.5818 0.2296 -0.7803 0.1706 -0.9036 -0.3930 0.7952 0.3618 -0.4865 15.263 15.854 -51.718 B 35 GLU A 126 GLU~? B 44 ASP A 120 ASP~? B 50 THR A 118 THR.? ULMNm 3 1bol_c00 RIBONUCLEASE RH user 4 3 RMSD = 1.15 A TRANSFORM -0.7688 -0.3642 0.5257 0.4424 0.2907 0.8484 0.4618 -0.8848 0.0623 85.902 4.585 32.477 A 46 HIS A 55 HIS~? A 105 GLU A 59 GLU~? A 109 HIS A 11 HIS~? ULMNm 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 1 3 RMSD = 1.17 A TRANSFORM -0.7617 0.5330 -0.3684 -0.6184 -0.4285 0.6588 -0.1933 -0.7296 -0.6559 65.281 59.507 50.539 199 ASP A 116 ASP.? 218 GLU A 8 GLU~? 329 ASP A 120 ASP~? ULMNm 3 1hrk_c01 FERROCHELATASE user 4 3 RMSD = 1.20 A TRANSFORM 0.4655 -0.8177 0.3386 -0.8822 -0.4594 0.1033 -0.0711 0.3468 0.9352 43.300 39.043 -18.625 B 263 HIS A 55 HIS~? B 341 HIS A 11 HIS~? B 343 GLU A 59 GLU~? ULMNm 3 1hrk_c00 FERROCHELATASE user 4 3 RMSD = 1.21 A TRANSFORM -0.4490 0.8288 -0.3339 0.8917 0.4392 -0.1089 -0.0564 0.3466 0.9363 -42.869 -38.281 -18.953 A 263 HIS A 55 HIS~? A 341 HIS A 11 HIS~? A 343 GLU A 59 GLU~? ULMNm 3 2bhg_c02 FOOT-AND-MOUTH DISEASE VIRUS 3C PROTuser 2 3 RMSD = 1.23 A TRANSFORM 0.4113 0.4925 0.7670 -0.3705 0.8591 -0.3530 0.8328 0.1390 -0.5358 -4.659 -37.994 -29.361 B 46 HIS A 55 HIS~? B 163 ALA A 58 ALA~? B 182 SER A 54 SER~? ULMNm 3 1aql_c02 BILE-SALT ACTIVATED LIPASE user 1 3 RMSD = 1.23 A TRANSFORM 0.8528 -0.5142 0.0914 -0.0805 0.0434 0.9958 0.5160 0.8565 0.0044 12.407 10.617 -6.166 A 194 SER A 110 SER~? A 292 ASP A 119 ASP.? A 322 HIS A 146 HIS.? ULMNm 3 1fgj_c01 HYDROXYLAMINE OXIDOREDUCTASE user 1 3 RMSD = 1.26 A TRANSFORM -0.3830 -0.7946 -0.4711 0.9208 -0.3690 -0.1262 0.0736 0.4822 -0.8730 91.910 19.115 -22.994 B 267 ASP A 76 ASP~? B 268 HIS A 23 HIS~? B 334 TYR A 75 TYR~? ULMNm 3 2qv4_p00 PANCREATIC ALPHA-AMYLASE user 1 3 RMSD = 1.33 A TRANSFORM 0.3386 0.9408 -0.0151 -0.6577 0.2252 -0.7188 0.6729 -0.2533 -0.6951 -41.445 122.329 -8.329 A 459 ASN A 30 ASN~? A 460 GLY A 29 GLY.? A 461 ASN A 31 ASN~? ULMNm 3 2tmd_c01 TRIMETHYLAMINE DEHYDROGENASE user 1 3 RMSD = 1.34 A TRANSFORM 0.1610 0.5674 0.8076 0.2640 0.7637 -0.5892 0.9510 -0.3080 0.0269 3.586 -35.879 14.155 B 169 TYR A 19 TYR~? B 172 HIS A 71 HIS.? B 267 ASP A 119 ASP.? ULMNm 3 1aql_c03 BILE-SALT ACTIVATED LIPASE user 1 3 RMSD = 1.34 A TRANSFORM 0.6563 0.5563 0.5098 0.5255 0.1478 -0.8378 0.5414 -0.8177 0.1954 -20.382 64.782 17.932 B 194 SER A 110 SER~? B 292 ASP A 119 ASP.? B 322 HIS A 146 HIS.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 1 3 RMSD = 1.36 A TRANSFORM -0.1582 0.4007 -0.9025 -0.5860 -0.7737 -0.2408 0.7947 -0.4908 -0.3571 14.501 65.229 3.064 141 ASP A 76 ASP~? 166 GLY A 136 GLY~? 169 GLU A 143 GLU~? ULMNm 3 2tmd_c00 TRIMETHYLAMINE DEHYDROGENASE user 1 3 RMSD = 1.36 A TRANSFORM 0.0228 -0.4425 -0.8965 0.9363 0.3237 -0.1360 -0.3504 0.8363 -0.4217 56.899 -25.585 -21.762 A 169 TYR A 19 TYR~? A 172 HIS A 71 HIS.? A 267 ASP A 119 ASP.? ULMNm 3 1qho_c07 ALPHA-AMYLASE user 2 3 RMSD = 1.39 A TRANSFORM -0.5843 0.4021 -0.7049 0.5970 0.8013 -0.0377 -0.5497 0.4429 0.7083 47.180 28.096 22.982 A 228 ASP A 116 ASP.? A 260 ASP A 76 ASP~? A 329 ASP A 120 ASP~? ULMNm 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 1 3 RMSD = 1.40 A TRANSFORM -0.0955 0.1486 0.9843 0.5201 -0.8357 0.1766 -0.8488 -0.5288 -0.0026 31.690 92.630 84.239 229 ASP A 120 ASP~? 264 GLU A 133 GLU~? 328 ASP A 116 ASP.? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 2 3 RMSD = 1.40 A TRANSFORM 0.1506 -0.9619 -0.2282 0.7596 0.2603 -0.5960 -0.6328 0.0836 -0.7698 46.052 -51.642 164.082 C 70 ALA A 41 ALA~? C 126 LEU A 42 LEU~? C 158 GLU A 8 GLU~? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 2 3 RMSD = 1.42 A TRANSFORM -0.7889 0.2601 0.5567 -0.2648 -0.9615 0.0740 -0.5545 0.0891 -0.8274 15.082 91.345 159.524 A 70 ALA A 41 ALA~? A 126 LEU A 42 LEU~? A 158 GLU A 8 GLU~? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 2 3 RMSD = 1.43 A TRANSFORM 0.5694 0.7089 -0.4163 -0.5555 0.7051 0.4408 -0.6060 0.0197 -0.7952 -93.377 -6.983 167.193 B 70 ALA A 41 ALA~? B 126 LEU A 42 LEU~? B 158 GLU A 8 GLU~? ULMNm 3 1bol_c00 RIBONUCLEASE RH user 2 3 RMSD = 1.43 A TRANSFORM 0.4218 -0.8469 -0.3237 -0.2377 0.2412 -0.9409 -0.8750 -0.4739 0.0996 74.487 24.450 50.669 A 46 HIS A 11 HIS~? A 105 GLU A 59 GLU~? A 109 HIS A 55 HIS~? ULMNm 3 1vzz_c00 STEROID DELTA-ISOMERASE user 1 3 RMSD = 1.47 A TRANSFORM 0.1727 0.4804 -0.8599 -0.6545 -0.5964 -0.4647 0.7360 -0.6431 -0.2115 -6.553 72.278 17.412 A 16 TYR A 19 TYR~? A 40 ASP A 119 ASP.? A 103 LEU A 70 LEU.? ULMNm 3 1hrk_c01 FERROCHELATASE user 1 3 RMSD = 1.49 A TRANSFORM 0.0242 -0.5431 -0.8393 0.9499 0.2741 -0.1500 -0.3115 0.7937 -0.5226 38.650 -58.512 -39.073 B 263 HIS A 11 HIS~? B 341 HIS A 55 HIS~? B 343 GLU A 8 GLU~? ULMNm 3 1hrk_c00 FERROCHELATASE user 1 3 RMSD = 1.49 A TRANSFORM -0.0494 0.5388 0.8410 -0.9437 -0.3010 0.1374 -0.3272 0.7868 -0.5233 -36.089 59.713 -38.099 A 263 HIS A 11 HIS~? A 341 HIS A 55 HIS~? A 343 GLU A 8 GLU~? ULMNm 3 1uok_c05 OLIGO-1,6-GLUCOSIDASE user 1 3 RMSD = 1.50 A TRANSFORM 0.4681 -0.8278 0.3091 -0.8789 -0.3998 0.2603 0.0919 0.3936 0.9147 62.208 74.182 -10.811 199 ASP A 119 ASP.? 242 GLU A 57 GLU~? 329 ASP A 116 ASP.? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 1 3 RMSD = 1.50 A TRANSFORM -0.6435 0.7406 0.1934 -0.3320 -0.0424 -0.9423 0.6897 0.6706 -0.2732 28.925 36.529 -47.572 A 229 ALA A 41 ALA~? A 257 ALA A 62 ALA~? A 328 ASP A 47 ASP~?