*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1dub_c15 2-ENOYL-COA HYDRATASE user 4 3 RMSD = 0.91 A TRANSFORM -0.8768 0.1107 -0.4679 -0.3501 -0.8140 0.4635 -0.3296 0.5702 0.7525 84.872 99.485 101.879 D 141 GLY A 127 GLY~? D 144 GLU A 126 GLU~? D 164 GLU A 123 GLU^? ULMNm 3 1dub_c17 2-ENOYL-COA HYDRATASE user 4 3 RMSD = 0.93 A TRANSFORM 0.2255 0.8053 0.5483 -0.0608 -0.5501 0.8329 0.9723 -0.2212 -0.0751 23.890 77.005 168.128 F 141 GLY A 127 GLY~? F 144 GLU A 126 GLU~? F 164 GLU A 123 GLU^? ULMNm 3 1dub_c14 2-ENOYL-COA HYDRATASE user 4 3 RMSD = 0.94 A TRANSFORM 0.7946 -0.0053 0.6071 0.3733 0.7929 -0.4817 -0.4787 0.6094 0.6320 51.773 86.805 104.567 C 141 GLY A 127 GLY~? C 144 GLU A 126 GLU~? C 164 GLU A 123 GLU^? ULMNm 3 1mpy_c03 CATECHOL 2,3-DIOXYGENASE user 1 3 RMSD = 0.95 A TRANSFORM -0.3897 -0.2972 0.8717 -0.0763 -0.9328 -0.3521 0.9178 -0.2037 0.3409 60.611 22.717 5.273 D 199 HIS A 53 HIS~? D 246 HIS A 62 HIS^? D 255 TYR A 116 TYR^? ULMNm 3 1dub_c16 2-ENOYL-COA HYDRATASE user 3 3 RMSD = 0.96 A TRANSFORM 0.7398 -0.1960 -0.6436 0.1593 -0.8784 0.4505 -0.6537 -0.4359 -0.6187 109.132 104.644 190.436 E 141 GLY A 127 GLY~? E 144 GLU A 126 GLU~? E 164 GLU A 123 GLU^? ULMNm 3 1mpy_c01 CATECHOL 2,3-DIOXYGENASE user 1 3 RMSD = 0.97 A TRANSFORM -0.3214 0.1622 0.9330 0.2749 0.9588 -0.0720 -0.9062 0.2333 -0.3527 57.371 10.851 -14.432 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 = 0.98 A TRANSFORM 0.4425 0.2828 -0.8510 0.3514 0.8184 0.4547 0.8250 -0.5003 0.2628 82.200 8.590 6.776 A 199 HIS A 53 HIS~? A 246 HIS A 62 HIS^? A 255 TYR A 116 TYR^? ULMNm 3 1dub_c13 2-ENOYL-COA HYDRATASE user 4 3 RMSD = 1.00 A TRANSFORM -0.0712 -0.8199 -0.5680 0.0668 0.5643 -0.8229 0.9952 -0.0965 0.0146 123.591 107.494 160.139 B 141 GLY A 127 GLY~? B 144 GLU A 126 GLU~? B 164 GLU A 123 GLU^? ULMNm 3 1mpy_c02 CATECHOL 2,3-DIOXYGENASE user 1 3 RMSD = 1.01 A TRANSFORM 0.2512 -0.0697 -0.9654 -0.4870 -0.8711 -0.0638 -0.8365 0.4862 -0.2528 82.690 14.425 -14.835 C 199 HIS A 53 HIS~? C 246 HIS A 62 HIS^? C 255 TYR A 116 TYR^? ULMNm 3 1lio_c01 ADENOSINE KINASE user 1 3 RMSD = 1.04 A TRANSFORM -0.3942 -0.2339 -0.8888 0.7875 -0.5844 -0.1955 -0.4737 -0.7770 0.4146 33.909 58.001 74.295 A 316 ALA A 30 ALA.? A 317 GLY A 31 GLY.? A 318 ASP A 28 ASP^? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.07 A TRANSFORM -0.9042 -0.2669 0.3334 -0.4183 0.3967 -0.8171 0.0858 -0.8783 -0.4703 21.005 -45.904 -6.465 B 250 ALA A 30 ALA.? B 251 GLY A 31 GLY.? B 252 ASP A 28 ASP^? ULMNm 3 1lij_c01 ADENOSINE KINASE user 1 3 RMSD = 1.09 A TRANSFORM 0.3319 0.8580 0.3920 0.0886 0.3853 -0.9185 -0.9392 0.3396 0.0518 107.069 -0.072 -28.661 A 316 ALA A 30 ALA.? A 317 GLY A 31 GLY.? A 318 ASP A 28 ASP^? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.12 A TRANSFORM 0.1629 -0.1274 0.9784 0.9680 0.2126 -0.1335 -0.1910 0.9688 0.1580 35.177 -17.624 -51.319 A 250 ALA A 30 ALA.? A 251 GLY A 31 GLY.? A 252 ASP A 28 ASP^? ULMNm 3 1uk7_c00 3.07.01.0009 user 4 3 RMSD = 1.12 A TRANSFORM -0.6737 -0.4609 0.5776 -0.1133 0.8368 0.5356 -0.7302 0.2954 -0.6160 24.673 22.735 -14.660 A 103 ALA A 162 ALA^? A 224 ASP A 77 ASP^? A 252 HIS A 114 HIS^? ULMNm 3 2wwt_o05 INTRACELLULAR SUBTILISIN PROTEASE user 4 3 RMSD = 1.16 A TRANSFORM -0.7400 0.4652 -0.4858 0.1104 -0.6285 -0.7699 -0.6635 -0.6234 0.4138 -93.357 28.562 58.714 F 49 ASP A 77 ASP^? F 86 HIS A 114 HIS^? F 250 ALA A 162 ALA^? ULMNm 3 2pth_c00 PEPTIDYL-TRNA HYDROLASE user 1 3 RMSD = 1.18 A TRANSFORM -0.3189 0.7164 0.6205 -0.5271 0.4100 -0.7443 -0.7877 -0.5644 0.2469 25.982 21.219 48.795 10 ASN A 42 ASN.? 20 HIS A 15 HIS.? 93 ASP A 12 ASP.? ULMNm 3 1be1_c02 GLUTAMATE MUTASE user 2 3 RMSD = 1.19 A TRANSFORM 0.4712 0.5963 -0.6500 -0.8715 0.4284 -0.2387 0.1361 0.6789 0.7215 -17.133 -25.009 -23.123 14 ASP A 12 ASP.? 16 HIS A 62 HIS^? 67 GLY A 24 GLY.? ULMNm 3 1dub_c14 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.20 A TRANSFORM -0.9292 0.0214 -0.3689 0.2664 -0.6532 -0.7088 -0.2561 -0.7569 0.6012 52.843 139.645 153.485 C 141 GLY A 125 GLY~? C 144 GLU A 123 GLU^? C 164 GLU A 126 GLU~? ULMNm 3 1dub_c15 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.21 A TRANSFORM 0.8583 -0.1540 0.4895 -0.2693 0.6769 0.6850 -0.4369 -0.7198 0.5395 92.306 44.995 148.477 D 141 GLY A 125 GLY~? D 144 GLU A 123 GLU^? D 164 GLU A 126 GLU~? ULMNm 3 2wwt_o00 INTRACELLULAR SUBTILISIN PROTEASE user 4 3 RMSD = 1.21 A TRANSFORM 0.7006 -0.5323 0.4751 0.0630 -0.6171 -0.7843 0.7108 0.5794 -0.3988 32.670 -8.225 3.288 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 = 1.21 A TRANSFORM 0.7006 -0.5323 0.4751 0.0630 -0.6171 -0.7843 0.7108 0.5794 -0.3988 32.670 -8.225 3.288 A 49 ASP A 77 ASP^? A 86 HIS A 114 HIS^? A 250 ALA A 162 ALA^? ULMNm 3 1dub_c17 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.22 A TRANSFORM -0.5317 -0.8432 -0.0795 -0.7172 0.3984 0.5717 -0.4504 0.3610 -0.8166 84.554 43.030 149.004 F 141 GLY A 125 GLY~? F 144 GLU A 123 GLU^? F 164 GLU A 126 GLU~? ULMNm 3 1be1_c02 GLUTAMATE MUTASE user 3 3 RMSD = 1.22 A TRANSFORM -0.1538 0.1550 -0.9759 -0.9245 0.3260 0.1975 0.3488 0.9326 0.0932 -14.088 -11.221 -38.299 14 ASP A 77 ASP^? 16 HIS A 112 HIS.? 67 GLY A 22 GLY.? ULMNm 3 2wwt_o02 INTRACELLULAR SUBTILISIN PROTEASE user 4 3 RMSD = 1.24 A TRANSFORM 0.4978 -0.8507 -0.1688 0.4361 0.0773 0.8966 -0.7497 -0.5200 0.4094 77.462 -13.532 26.755 C 49 ASP A 77 ASP^? C 86 HIS A 114 HIS^? C 250 ALA A 162 ALA^? ULMNm 3 1dub_c16 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.24 A TRANSFORM 0.1582 0.3900 -0.9071 -0.5195 0.8142 0.2595 0.8397 0.4301 0.3314 89.020 43.957 157.277 E 141 GLY A 125 GLY~? E 144 GLU A 123 GLU^? E 164 GLU A 126 GLU~? ULMNm 3 1dub_c13 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.25 A TRANSFORM 0.4610 0.8862 -0.0465 0.7062 -0.3981 -0.5855 -0.5373 0.2370 -0.8094 60.914 142.180 149.993 B 141 GLY A 125 GLY~? B 144 GLU A 123 GLU^? B 164 GLU A 126 GLU~? ULMNm 3 2wwt_o04 INTRACELLULAR SUBTILISIN PROTEASE user 4 3 RMSD = 1.27 A TRANSFORM 0.4588 0.1377 0.8778 0.4766 -0.8719 -0.1123 0.7499 0.4699 -0.4656 -42.938 50.866 0.054 E 49 ASP A 77 ASP^? E 86 HIS A 114 HIS^? E 250 ALA A 162 ALA^? ULMNm 3 1qgn_c02 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 RMSD = 1.27 A TRANSFORM -0.2019 -0.5710 -0.7957 -0.9089 -0.1935 0.3695 -0.3650 0.7978 -0.4799 64.627 40.161 -13.272 C 155 HIS A 15 HIS.? C 236 ASP A 77 ASP^? C 261 LYS A 144 LYS.? ULMNm 3 1xqw_c00 PROLINE IMINOPEPTIDASE user 3 3 RMSD = 1.28 A TRANSFORM 0.0016 -0.0562 -0.9984 0.9919 -0.1267 0.0087 -0.1270 -0.9904 0.0555 12.089 7.497 32.905 A 105 ALA A 162 ALA^? A 244 ASP A 77 ASP^? A 271 HIS A 114 HIS^? ULMNm 3 1qgn_c04 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 RMSD = 1.28 A TRANSFORM -0.6979 -0.5733 -0.4293 0.6283 -0.2023 -0.7512 0.3439 -0.7940 0.5014 80.096 -15.030 -10.262 E 155 HIS A 15 HIS.? E 236 ASP A 77 ASP^? E 261 LYS A 144 LYS.? ULMNm 3 2wwt_o03 INTRACELLULAR SUBTILISIN PROTEASE user 3 3 RMSD = 1.28 A TRANSFORM 0.0905 -0.6539 -0.7511 -0.6986 0.4958 -0.5159 0.7097 0.5715 -0.4119 54.285 -67.039 -30.324 D 49 ASP A 77 ASP^? D 86 HIS A 114 HIS^? D 250 ALA A 162 ALA^? ULMNm 3 2wwt_o01 INTRACELLULAR SUBTILISIN PROTEASE user 3 3 RMSD = 1.29 A TRANSFORM -0.4742 -0.1249 -0.8715 0.5285 -0.8321 -0.1683 -0.7041 -0.5404 0.4606 -19.247 16.280 62.571 B 49 ASP A 77 ASP^? B 86 HIS A 114 HIS^? B 250 ALA A 162 ALA^? ULMNm 3 1qgn_c06 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 RMSD = 1.29 A TRANSFORM -0.9016 -0.1418 0.4086 0.2479 0.6047 0.7569 -0.3544 0.7838 -0.5100 68.668 -37.031 -90.469 G 155 HIS A 15 HIS.? G 236 ASP A 77 ASP^? G 261 LYS A 144 LYS.? ULMNm 3 1qgn_c00 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 RMSD = 1.29 A TRANSFORM -0.5787 0.2254 0.7838 -0.7390 -0.5514 -0.3871 0.3450 -0.8032 0.4857 43.692 49.232 67.658 A 155 HIS A 15 HIS.? A 236 ASP A 77 ASP^? A 261 LYS A 144 LYS.? ULMNm 3 1qgn_c01 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 RMSD = 1.30 A TRANSFORM 0.1553 0.6848 0.7120 0.9435 0.1108 -0.3123 -0.2928 0.7203 -0.6289 4.059 -19.475 -11.684 B 155 HIS A 15 HIS.? B 236 ASP A 77 ASP^? B 261 LYS A 144 LYS.? ULMNm 3 1qgn_c03 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 RMSD = 1.30 A TRANSFORM 0.6130 -0.3308 -0.7175 0.7167 0.6149 0.3289 0.3324 -0.7159 0.6140 36.635 -36.145 64.483 D 155 HIS A 15 HIS.? D 236 ASP A 77 ASP^? D 261 LYS A 144 LYS.? ULMNm 3 1qgn_c05 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 RMSD = 1.31 A TRANSFORM 0.9221 0.0899 -0.3762 -0.2219 -0.6737 -0.7049 -0.3169 0.7335 -0.6013 12.760 27.505 -89.570 F 155 HIS A 15 HIS.? F 236 ASP A 77 ASP^? F 261 LYS A 144 LYS.? ULMNm 3 2v3r_p00 EXOGLUCANASE 1 user 2 3 RMSD = 1.32 A TRANSFORM 0.2191 -0.6571 0.7213 -0.5879 0.5011 0.6351 -0.7787 -0.5631 -0.2765 21.838 46.092 128.980 A 270 ASN A 101 ASN.? A 384 ASN A 82 ASN~? A 385 GLU A 84 GLU~? ULMNm 3 1azy_c01 THYMIDINE PHOSPHORYLASE user 2 3 RMSD = 1.33 A TRANSFORM 0.7791 0.4878 0.3939 -0.5950 0.3770 0.7099 0.1977 -0.7874 0.5839 -14.717 -7.292 14.357 B 85 HIS A 62 HIS^? B 171 ARG A 172 ARG.? B 190 LYS A 10 LYS.? ULMNm 3 1azy_c00 THYMIDINE PHOSPHORYLASE user 2 3 RMSD = 1.34 A TRANSFORM -0.7323 -0.5279 -0.4302 -0.6071 0.2196 0.7637 -0.3087 0.8204 -0.4813 32.052 -6.458 24.042 A 85 HIS A 62 HIS^? A 171 ARG A 172 ARG.? A 190 LYS A 10 LYS.? ULMNm 3 1qgn_c07 CYSTATHIONINE GAMMA-SYNTHASE user 1 3 RMSD = 1.34 A TRANSFORM 0.6828 0.6257 0.3773 -0.6497 0.2838 0.7052 0.3341 -0.7266 0.6003 -4.566 -2.695 -12.708 H 155 HIS A 15 HIS.? H 236 ASP A 77 ASP^? H 261 LYS A 144 LYS.? ULMNm 3 1bsj_c00 PEPTIDE DEFORMYLASE user 1 3 RMSD = 1.37 A TRANSFORM -0.7315 -0.6574 0.1809 0.6750 -0.6604 0.3291 -0.0969 0.3628 0.9268 63.392 55.887 50.387 A 50 GLN A 91 GLN~? A 91 LEU A 92 LEU~? A 133 GLU A 171 GLU^? ULMNm 3 1bs4_c00 PEPTIDE DEFORMYLASE user 1 3 RMSD = 1.45 A TRANSFORM 0.3422 -0.8340 -0.4328 0.8149 0.4927 -0.3052 0.4678 -0.2482 0.8483 63.138 22.564 56.777 A 50 GLN A 91 GLN~? A 91 LEU A 92 LEU~? A 133 GLU A 171 GLU^? ULMNm 3 1bs4_c01 PEPTIDE DEFORMYLASE user 1 3 RMSD = 1.49 A TRANSFORM -0.6606 -0.6377 0.3961 -0.5079 0.7682 0.3897 -0.5528 0.0562 -0.8314 109.420 29.334 72.836 B 550 GLN A 91 GLN~? B 591 LEU A 92 LEU~? B 633 GLU A 171 GLU^? ULMNm 3 1bs4_c02 PEPTIDE DEFORMYLASE user 1 3 RMSD = 1.49 A TRANSFORM 0.8044 -0.1489 -0.5751 0.2221 0.9733 0.0585 0.5510 -0.1748 0.8160 65.673 6.899 30.428 C1050 GLN A 91 GLN~? C1091 LEU A 92 LEU~? C1133 GLU A 171 GLU^? ULMNm 3 2dbt_c01 CHITINASE C user 6 3 RMSD = 1.49 A TRANSFORM -0.5014 -0.3999 0.7672 0.8620 -0.3076 0.4030 0.0749 0.8634 0.4990 51.469 75.598 -18.553 B 147 GLU A 128 GLU~? B 156 GLU A 126 GLU~? B 194 ASN A 73 ASN.? ULMNm 3 1ddj_c14 PLASMINOGEN user 1 3 RMSD = 1.50 A TRANSFORM -0.1971 -0.9020 -0.3842 0.4848 0.2510 -0.8378 0.8521 -0.3514 0.3878 35.159 58.620 71.982 C 603 HIS A 62 HIS^? C 646 ASP A 12 ASP.? C 739 GLY A 120 GLY.?