*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1ndo_c01 NAPTHALENE 1,2-DIOXYGENASE user 10 3 RMSD = 0.82 A TRANSFORM -0.7967 -0.4347 -0.4199 -0.3675 -0.2031 0.9076 -0.4798 0.8774 0.0020 40.686 -6.678 37.352 A 104 HIS B 60 HIS^? E 205 ASP B 62 ASP^? E 208 HIS B 40 HIS^? ULMNm 3 1ndo_c02 NAPTHALENE 1,2-DIOXYGENASE user 9 3 RMSD = 0.82 A TRANSFORM -0.7224 0.1308 -0.6790 0.3901 -0.7337 -0.5563 -0.5710 -0.6668 0.4790 51.540 69.543 17.765 C 205 ASP B 62 ASP^? C 208 HIS B 40 HIS^? E 104 HIS B 60 HIS^? ULMNm 3 1ndo_c00 NAPTHALENE 1,2-DIOXYGENASE user 9 3 RMSD = 0.85 A TRANSFORM -0.9904 0.0886 -0.1062 0.1197 0.9334 -0.3382 0.0692 -0.3477 -0.9351 22.675 51.089 88.521 A 205 ASP B 62 ASP^? A 208 HIS B 40 HIS^? C 104 HIS B 60 HIS^? ULMNm 3 1ndo_c02 NAPTHALENE 1,2-DIOXYGENASE user 4 3 RMSD = 0.87 A TRANSFORM 0.7426 -0.0849 -0.6644 -0.3769 0.7671 -0.5192 0.5537 0.6359 0.5376 61.230 55.018 15.681 C 205 ASP A 62 ASP^? C 208 HIS A 40 HIS^? E 104 HIS A 60 HIS^? ULMNm 3 1ndo_c01 NAPTHALENE 1,2-DIOXYGENASE user 5 3 RMSD = 0.87 A TRANSFORM 0.8070 0.4627 -0.3669 0.3397 0.1446 0.9294 0.4831 -0.8746 -0.0405 43.832 -4.700 54.545 A 104 HIS A 60 HIS^? E 205 ASP A 62 ASP^? E 208 HIS A 40 HIS^? ULMNm 3 1ndo_c00 NAPTHALENE 1,2-DIOXYGENASE user 4 3 RMSD = 0.89 A TRANSFORM 0.9934 -0.0801 -0.0819 -0.1064 -0.9097 -0.4015 -0.0424 0.4076 -0.9122 35.182 61.965 82.623 A 205 ASP A 62 ASP^? A 208 HIS A 40 HIS^? C 104 HIS A 60 HIS^? ULMNm 3 1d6o_c01 FK506-BINDING PROTEIN user 7 3 RMSD = 1.00 A TRANSFORM -0.5275 0.8221 -0.2142 -0.8460 -0.5314 0.0439 -0.0777 0.2044 0.9758 78.628 -40.286 -39.627 B 37 ASP B 89 ASP~? B 56 ILE B 68 ILE^? B 82 TYR B 7 TYR.? ULMNm 3 1d6o_c00 FK506-BINDING PROTEIN user 6 3 RMSD = 1.03 A TRANSFORM -0.5328 0.8191 -0.2127 -0.8447 -0.5301 0.0742 -0.0520 0.2192 0.9743 75.615 -24.217 -11.388 A 37 ASP B 89 ASP~? A 56 ILE B 68 ILE^? A 82 TYR B 7 TYR.? ULMNm 3 1req_c11 METHYLMALONYL-COA MUTASE user 3 3 RMSD = 1.04 A TRANSFORM -0.9933 -0.0941 0.0667 0.1143 -0.8803 0.4605 0.0153 0.4651 0.8851 -27.059 93.722 27.291 C 608 ASP A 62 ASP^? C 610 HIS A 60 HIS^? C 661 HIS A 38 HIS.? ULMNm 3 1req_c10 METHYLMALONYL-COA MUTASE user 3 3 RMSD = 1.05 A TRANSFORM 0.4753 0.4462 0.7583 -0.1111 0.8854 -0.4513 -0.8728 0.1303 0.4704 53.264 68.093 -20.717 A 608 ASP A 62 ASP^? A 610 HIS A 60 HIS^? A 661 HIS A 38 HIS.? ULMNm 3 1req_c11 METHYLMALONYL-COA MUTASE user 6 3 RMSD = 1.05 A TRANSFORM 0.9881 0.0933 0.1223 -0.1431 0.8494 0.5081 -0.0564 -0.5195 0.8526 -17.196 80.797 33.311 C 608 ASP B 62 ASP^? C 610 HIS B 60 HIS^? C 661 HIS B 38 HIS.? ULMNm 3 1req_c10 METHYLMALONYL-COA MUTASE user 6 3 RMSD = 1.05 A TRANSFORM -0.5097 -0.4943 0.7042 0.1394 -0.8551 -0.4994 0.8490 -0.1564 0.5048 53.887 81.050 -9.217 A 608 ASP B 62 ASP^? A 610 HIS B 60 HIS^? A 661 HIS B 38 HIS.? ULMNm 3 1req_c10 METHYLMALONYL-COA MUTASE user 4 3 RMSD = 1.22 A TRANSFORM 0.4247 0.8063 -0.4117 0.1226 -0.5018 -0.8563 -0.8970 0.3132 -0.3120 89.489 92.759 19.758 A 608 ASP B 35 ASP^? A 610 HIS B 38 HIS.? A 661 HIS B 60 HIS^? ULMNm 3 1oyg_c00 LEVANSUCRASE user 1 3 RMSD = 1.22 A TRANSFORM 0.8962 -0.1764 0.4071 0.1450 0.9836 0.1070 -0.4193 -0.0368 0.9071 54.886 6.876 -14.331 A 86 ASP A 39 ASP.? A 247 ASP A 35 ASP^? A 342 GLU A 37 GLU.? ULMNm 3 1req_c11 METHYLMALONYL-COA MUTASE user 4 3 RMSD = 1.22 A TRANSFORM -0.9921 -0.0951 -0.0816 -0.1191 0.5124 0.8505 -0.0391 0.8535 -0.5197 -8.098 69.559 78.432 C 608 ASP B 35 ASP^? C 610 HIS B 38 HIS.? C 661 HIS B 60 HIS^? ULMNm 3 1req_c10 METHYLMALONYL-COA MUTASE user 1 3 RMSD = 1.23 A TRANSFORM -0.4222 -0.7548 -0.5020 -0.0527 0.5733 -0.8176 0.9050 -0.3187 -0.2819 94.907 84.297 34.197 A 608 ASP A 35 ASP^? A 610 HIS A 38 HIS.? A 661 HIS A 60 HIS^? ULMNm 3 1req_c11 METHYLMALONYL-COA MUTASE user 1 3 RMSD = 1.24 A TRANSFORM 0.9977 0.0659 -0.0132 0.0493 -0.5833 0.8108 0.0458 -0.8096 -0.5852 2.210 78.117 89.835 C 608 ASP A 35 ASP^? C 610 HIS A 38 HIS.? C 661 HIS A 60 HIS^? ULMNm 3 1hkd_p00 PEA LECTIN ALPHA CHAIN user 2 3 RMSD = 1.25 A TRANSFORM 0.6386 0.7678 0.0523 0.5079 -0.3694 -0.7782 -0.5781 0.5235 -0.6259 -2.765 55.207 -22.477 A 81 ASP A 27 ASP^? A 99 GLY A 26 GLY.? A 125 ASN A 49 ASN^? ULMNm 3 1sll_c00 SIALIDASE L user 1 3 RMSD = 1.30 A TRANSFORM 0.3284 -0.6476 -0.6876 -0.9280 -0.0857 -0.3626 0.1759 0.7572 -0.6291 40.530 9.954 17.302 318 ASP A 89 ASP~? 595 GLU A 6 GLU~? 713 TYR A 7 TYR~? ULMNm 3 1mas_c01 INOSINE-URIDINE NUCLEOSIDE N-RIBOHYDuser 6 3 RMSD = 1.30 A TRANSFORM -0.8304 -0.0195 -0.5568 0.4516 -0.6089 -0.6522 -0.3263 -0.7930 0.5145 -24.098 -2.021 34.278 B 10 ASP B 78 ASP~? B 168 ASN A 50 ASN.? B 241 HIS A 52 HIS^? ULMNm 3 5fit_c00 FRAGILE HISTIDINE TRIAD PROTEIN user 5 3 RMSD = 1.32 A TRANSFORM 0.6675 0.7378 -0.1003 0.6724 -0.5396 0.5066 0.3197 -0.4057 -0.8563 23.404 1.098 35.315 83 GLN B 71 GLN^? 94 HIS B 38 HIS.? 96 HIS B 40 HIS^? ULMNm 3 5fit_c00 FRAGILE HISTIDINE TRIAD PROTEIN user 2 3 RMSD = 1.35 A TRANSFORM -0.6756 -0.7000 -0.2314 -0.6857 0.4813 0.5460 -0.2709 0.5275 -0.8052 26.117 -13.570 23.643 83 GLN A 71 GLN^? 94 HIS A 38 HIS.? 96 HIS A 40 HIS^? ULMNm 3 5cox_c04 CYCLOOXYGENASE-2 user 1 3 RMSD = 1.36 A TRANSFORM 0.8791 0.4560 -0.1389 0.4146 -0.8753 -0.2490 -0.2351 0.1613 -0.9585 30.294 63.108 16.628 A 203 GLN A 42 GLN^? A 207 HIS A 60 HIS^? A 385 TYR A 41 TYR^? ULMNm 3 5cox_c06 CYCLOOXYGENASE-2 user 1 3 RMSD = 1.36 A TRANSFORM -0.9041 -0.4085 0.1256 -0.3784 0.9017 0.2090 -0.1986 0.1414 -0.9698 52.458 4.070 77.402 C 203 GLN A 42 GLN^? C 207 HIS A 60 HIS^? C 385 TYR A 41 TYR^? ULMNm 3 5cox_c07 CYCLOOXYGENASE-2 user 1 3 RMSD = 1.36 A TRANSFORM 0.8482 0.4979 -0.1806 -0.2915 0.1541 -0.9441 -0.4422 0.8534 0.2758 18.416 52.993 28.815 D 203 GLN A 42 GLN^? D 207 HIS A 60 HIS^? D 385 TYR A 41 TYR^? ULMNm 3 5cox_c05 CYCLOOXYGENASE-2 user 1 3 RMSD = 1.37 A TRANSFORM -0.8700 -0.4732 0.1382 0.2326 -0.1469 0.9614 -0.4347 0.8686 0.2379 65.583 13.989 -31.197 B 203 GLN A 42 GLN^? B 207 HIS A 60 HIS^? B 385 TYR A 41 TYR^? ULMNm 3 5cox_c04 CYCLOOXYGENASE-2 user 3 3 RMSD = 1.37 A TRANSFORM -0.8686 -0.4412 -0.2257 -0.4026 0.8938 -0.1978 0.2890 -0.0809 -0.9539 26.751 46.577 21.546 A 203 GLN B 42 GLN^? A 207 HIS B 60 HIS^? A 385 TYR B 41 TYR^? ULMNm 3 5cox_c06 CYCLOOXYGENASE-2 user 3 3 RMSD = 1.37 A TRANSFORM 0.8944 0.3949 0.2100 0.3687 -0.9167 0.1538 0.2533 -0.0602 -0.9655 56.926 20.562 81.643 C 203 GLN B 42 GLN^? C 207 HIS B 60 HIS^? C 385 TYR B 41 TYR^? ULMNm 3 5cox_c07 CYCLOOXYGENASE-2 user 3 3 RMSD = 1.37 A TRANSFORM -0.8353 -0.4796 -0.2688 0.3443 -0.0751 -0.9359 0.4287 -0.8743 0.2278 15.791 58.438 45.352 D 203 GLN B 42 GLN^? D 207 HIS B 60 HIS^? D 385 TYR B 41 TYR^? ULMNm 3 1mas_c01 INOSINE-URIDINE NUCLEOSIDE N-RIBOHYDuser 4 3 RMSD = 1.38 A TRANSFORM 0.8534 0.0475 -0.5191 -0.4222 0.6469 -0.6350 0.3056 0.7611 0.5721 -14.770 -15.284 27.548 B 10 ASP A 78 ASP~? B 168 ASN B 50 ASN.? B 241 HIS B 52 HIS^? ULMNm 3 5cox_c05 CYCLOOXYGENASE-2 user 3 3 RMSD = 1.38 A TRANSFORM 0.8595 0.4585 0.2259 -0.2866 0.0664 0.9557 0.4232 -0.8862 0.1885 68.788 9.297 -14.533 B 203 GLN B 42 GLN^? B 207 HIS B 60 HIS^? B 385 TYR B 41 TYR^? ULMNm 3 1euu_c00 SIALIDASE user 3 3 RMSD = 1.39 A TRANSFORM -0.7273 0.6709 0.1448 0.5164 0.6738 -0.5285 -0.4521 -0.3097 -0.8365 15.826 10.983 24.651 92 ASP B 89 ASP~? 260 GLU B 6 GLU.? 370 TYR B 7 TYR.? ULMNm 3 5cox_c07 CYCLOOXYGENASE-2 user 4 3 RMSD = 1.39 A TRANSFORM 0.7902 0.5694 0.2266 0.3135 -0.6934 0.6488 0.5265 -0.4416 -0.7265 16.051 24.372 66.744 D 203 GLN B 71 GLN^? D 207 HIS B 60 HIS^? D 385 TYR B 41 TYR^? ULMNm 3 5cox_c04 CYCLOOXYGENASE-2 user 4 3 RMSD = 1.39 A TRANSFORM 0.7522 0.6199 0.2235 -0.5646 0.4314 0.7036 0.3398 -0.6555 0.6745 27.932 25.876 -12.943 A 203 GLN B 71 GLN^? A 207 HIS B 60 HIS^? A 385 TYR B 41 TYR^? ULMNm 3 5cox_c07 CYCLOOXYGENASE-2 user 2 3 RMSD = 1.40 A TRANSFORM -0.7959 -0.5700 0.2041 -0.3074 0.6709 0.6748 -0.5215 0.4743 -0.7092 13.602 11.843 54.402 D 203 GLN A 71 GLN^? D 207 HIS A 60 HIS^? D 385 TYR A 41 TYR^? ULMNm 3 5cox_c05 CYCLOOXYGENASE-2 user 4 3 RMSD = 1.40 A TRANSFORM -0.7639 -0.6094 -0.2126 -0.3286 0.6507 -0.6845 0.5555 -0.4530 -0.6973 67.346 44.089 5.628 B 203 GLN B 71 GLN^? B 207 HIS B 60 HIS^? B 385 TYR B 41 TYR^? ULMNm 3 5cox_c06 CYCLOOXYGENASE-2 user 4 3 RMSD = 1.40 A TRANSFORM -0.7145 -0.6572 -0.2399 0.6128 -0.4224 -0.6679 0.3376 -0.6242 0.7046 55.852 40.099 46.480 C 203 GLN B 71 GLN^? C 207 HIS B 60 HIS^? C 385 TYR B 41 TYR^? ULMNm 3 5cox_c04 CYCLOOXYGENASE-2 user 2 3 RMSD = 1.40 A TRANSFORM -0.7584 -0.6206 0.1993 0.5598 -0.4635 0.6868 -0.3339 0.6324 0.6990 26.590 38.551 -25.305 A 203 GLN A 71 GLN^? A 207 HIS A 60 HIS^? A 385 TYR A 41 TYR^? ULMNm 3 5cox_c05 CYCLOOXYGENASE-2 user 2 3 RMSD = 1.40 A TRANSFORM 0.7699 0.6097 -0.1886 0.3230 -0.6271 -0.7088 -0.5505 0.4848 -0.6797 68.965 56.251 -7.207 B 203 GLN A 71 GLN^? B 207 HIS A 60 HIS^? B 385 TYR A 41 TYR^? ULMNm 3 5cox_c06 CYCLOOXYGENASE-2 user 2 3 RMSD = 1.41 A TRANSFORM 0.7210 0.6589 -0.2143 -0.6082 0.4536 -0.6515 -0.3320 0.6001 0.7278 56.250 26.954 34.551 C 203 GLN A 71 GLN^? C 207 HIS A 60 HIS^? C 385 TYR A 41 TYR^? ULMNm 3 1cb7_c07 GLUTAMATE MUTASE user 1 3 RMSD = 1.41 A TRANSFORM 0.9709 -0.2365 -0.0388 0.0714 0.4401 -0.8951 0.2287 0.8663 0.4442 26.889 51.718 60.553 C 14 ASP A 62 ASP^? C 16 HIS A 40 HIS^? C 67 GLY A 96 GLY.? ULMNm 3 1fgj_c01 HYDROXYLAMINE OXIDOREDUCTASE user 5 3 RMSD = 1.41 A TRANSFORM 0.2415 0.9609 0.1353 -0.4752 0.2387 -0.8469 -0.8461 0.1402 0.5143 41.273 55.313 -19.427 B 267 ASP B 35 ASP^? B 268 HIS B 40 HIS^? B 334 TYR B 41 TYR^? ULMNm 3 1cb7_c06 GLUTAMATE MUTASE user 1 3 RMSD = 1.42 A TRANSFORM 0.9970 -0.0552 0.0544 -0.0733 -0.4444 0.8928 -0.0251 -0.8941 -0.4471 21.812 -20.375 108.027 A 14 ASP A 62 ASP^? A 16 HIS A 40 HIS^? A 67 GLY A 96 GLY.? ULMNm 3 1euu_c00 SIALIDASE user 1 3 RMSD = 1.42 A TRANSFORM 0.7877 -0.5905 0.1754 -0.4173 -0.7210 -0.5533 0.4532 0.3626 -0.8143 30.245 16.776 25.178 92 ASP A 89 ASP~? 260 GLU A 6 GLU~? 370 TYR A 7 TYR~? ULMNm 3 1s3i_c00 10-FORMYLTETRAHYDROFOLATE DEHYDROGENuser 2 3 RMSD = 1.43 A TRANSFORM -0.3977 0.3790 -0.8356 -0.6376 0.5407 0.5487 0.6598 0.7510 0.0267 -13.781 36.262 14.869 A 104 ILE A 70 ILE^? A 106 HIS A 60 HIS^? A 142 ASP A 62 ASP^? ULMNm 3 1be1_c02 GLUTAMATE MUTASE user 1 3 RMSD = 1.43 A TRANSFORM 0.1109 -0.9909 -0.0764 0.6495 0.1304 -0.7490 0.7522 0.0334 0.6581 22.334 17.248 -10.360 14 ASP A 39 ASP.? 16 HIS A 38 HIS.? 67 GLY A 56 GLY^? ULMNm 3 1s3i_c00 10-FORMYLTETRAHYDROFOLATE DEHYDROGENuser 4 3 RMSD = 1.44 A TRANSFORM 0.4224 -0.3277 -0.8451 0.6102 -0.5867 0.5324 -0.6703 -0.7405 -0.0479 -4.218 50.686 17.456 A 104 ILE B 70 ILE^? A 106 HIS B 60 HIS^? A 142 ASP B 62 ASP^? ULMNm 3 1be1_c02 GLUTAMATE MUTASE user 2 3 RMSD = 1.44 A TRANSFORM -0.1304 0.9914 -0.0081 -0.5922 -0.0845 -0.8014 -0.7952 -0.0997 0.5981 7.735 11.918 -18.039 14 ASP B 39 ASP.? 16 HIS B 38 HIS.? 67 GLY B 56 GLY^? ULMNm 3 1js4_c00 ENDO-EXOCELLULASE E4 user 2 3 RMSD = 1.44 A TRANSFORM 0.5543 0.6439 0.5274 -0.4713 -0.2795 0.8365 0.6860 -0.7122 0.1485 28.108 41.317 46.628 A 55 ASP A 92 ASP.? A 58 ASP A 89 ASP~? A 424 GLU A 6 GLU~? ULMNm 3 1fgj_c01 HYDROXYLAMINE OXIDOREDUCTASE user 1 3 RMSD = 1.45 A TRANSFORM -0.2605 -0.9643 0.0480 0.4980 -0.1768 -0.8490 0.8271 -0.1973 0.5263 51.407 63.346 -6.841 B 267 ASP A 35 ASP^? B 268 HIS A 40 HIS^? B 334 TYR A 41 TYR^? ULMNm 3 1d6o_c01 FK506-BINDING PROTEIN user 3 3 RMSD = 1.45 A TRANSFORM 0.6529 -0.7392 -0.1651 0.7557 0.6504 0.0763 0.0510 -0.1746 0.9833 93.059 -41.841 -38.704 B 37 ASP A 89 ASP~? B 56 ILE A 68 ILE^? B 82 TYR A 7 TYR~? ULMNm 3 1g8f_c00 SULFATE ADENYLYLTRANSFERASE user 5 3 RMSD = 1.46 A TRANSFORM -0.4225 0.4934 0.7603 -0.8995 -0.1255 -0.4185 -0.1111 -0.8607 0.4969 -26.054 30.052 18.235 A 197 ARG B 12 ARG.? A 201 HIS B 38 HIS.? A 204 HIS B 40 HIS^? ULMNm 3 1cb7_c07 GLUTAMATE MUTASE user 2 3 RMSD = 1.46 A TRANSFORM -0.9691 0.2415 -0.0508 -0.0355 -0.3402 -0.9397 -0.2443 -0.9088 0.3383 12.488 57.565 70.200 C 14 ASP B 62 ASP^? C 16 HIS B 40 HIS^? C 67 GLY B 96 GLY.? ULMNm 3 1cb7_c06 GLUTAMATE MUTASE user 2 3 RMSD = 1.46 A TRANSFORM -0.9985 0.0514 0.0210 0.0374 0.3450 0.9378 0.0409 0.9372 -0.3464 9.677 -26.256 95.675 A 14 ASP B 62 ASP^? A 16 HIS B 40 HIS^? A 67 GLY B 96 GLY.? ULMNm 3 1d6o_c00 FK506-BINDING PROTEIN user 3 3 RMSD = 1.47 A TRANSFORM 0.6570 -0.7359 -0.1640 0.7534 0.6489 0.1066 0.0280 -0.1936 0.9807 90.056 -25.810 -10.411 A 37 ASP A 89 ASP~? A 56 ILE A 68 ILE^? A 82 TYR A 7 TYR~? ULMNm 3 1mas_c00 INOSINE-URIDINE NUCLEOSIDE N-RIBOHYDuser 3 3 RMSD = 1.48 A TRANSFORM -0.6942 0.6168 -0.3709 0.6244 0.2598 -0.7366 -0.3579 -0.7430 -0.5655 -9.621 -18.804 31.483 A 10 ASP A 78 ASP~? A 168 ASN B 50 ASN.? A 241 HIS B 52 HIS^? ULMNm 3 1g8f_c00 SULFATE ADENYLYLTRANSFERASE user 2 3 RMSD = 1.49 A TRANSFORM 0.3945 -0.5366 0.7459 0.9155 0.1604 -0.3689 0.0783 0.8285 0.5545 -14.511 38.076 8.054 A 197 ARG A 12 ARG~? A 201 HIS A 38 HIS.? A 204 HIS A 40 HIS^? ULMNm 3 1sll_c00 SIALIDASE L user 3 3 RMSD = 1.50 A TRANSFORM -0.2447 0.6952 -0.6759 0.9455 0.0167 -0.3252 -0.2148 -0.7186 -0.6614 28.670 17.797 25.094 318 ASP B 89 ASP~? 595 GLU B 6 GLU.? 713 TYR B 7 TYR.?