*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1a8h_c02 METHIONYL-TRNA SYNTHETASE user 2 3 RMSD = 0.97 A TRANSFORM -0.5071 -0.4795 -0.7162 0.6585 -0.7517 0.0370 -0.5561 -0.4528 0.6969 61.613 27.672 63.712 16 ALA A 51 ALA^? 19 HIS A 60 HIS^? 22 HIS A 14 HIS^? ULMNm 3 1a8h_c02 METHIONYL-TRNA SYNTHETASE user 4 3 RMSD = 1.03 A TRANSFORM -0.5015 0.4783 0.7209 0.6545 0.7547 -0.0453 -0.5657 0.4491 -0.6916 55.070 -2.072 34.984 16 ALA B 51 ALA^? 19 HIS B 60 HIS^? 22 HIS B 14 HIS^? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 4 3 RMSD = 1.14 A TRANSFORM -0.9020 -0.3586 -0.2406 -0.2215 -0.0941 0.9706 -0.3707 0.9288 0.0055 74.733 32.891 -17.351 A 67 ASP B 32 ASP~? A 68 ALA B 31 ALA~? A 72 LEU B 34 LEU~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 2 3 RMSD = 1.15 A TRANSFORM -0.9003 0.3645 0.2379 -0.2213 0.0873 -0.9713 -0.3748 -0.9271 0.0020 64.941 13.004 18.423 A 67 ASP A 32 ASP~? A 68 ALA A 31 ALA~? A 72 LEU A 34 LEU~? ULMNm 3 1pnl_c00 PENICILLIN AMIDOHYDROLASE user 2 3 RMSD = 1.23 A TRANSFORM 0.1253 -0.8658 -0.4844 -0.9591 0.0192 -0.2825 0.2539 0.4999 -0.8280 21.110 43.549 -2.773 B 1 SER B 106 SER.? B 69 ALA B 18 ALA^? B 241 ASN B 104 ASN.? ULMNm 3 1e7l_c01 RECOMBINATION ENDONUCLEASE VII user 1 3 RMSD = 1.23 A TRANSFORM -0.2171 0.0533 0.9747 -0.7244 -0.6781 -0.1242 0.6544 -0.7330 0.1858 25.757 42.536 27.967 B 41 HIS A 60 HIS^? B 43 HIS A 14 HIS^? B 65 GLU A 12 GLU^? ULMNm 3 1pnl_c00 PENICILLIN AMIDOHYDROLASE user 1 3 RMSD = 1.25 A TRANSFORM 0.1148 0.8647 0.4890 -0.9578 -0.0342 0.2853 0.2634 -0.5012 0.8243 -4.109 49.111 30.307 B 1 SER A 106 SER.? B 69 ALA A 18 ALA^? B 241 ASN A 104 ASN.? ULMNm 3 1e7l_c01 RECOMBINATION ENDONUCLEASE VII user 2 3 RMSD = 1.26 A TRANSFORM -0.2132 -0.0581 -0.9753 -0.7315 0.6712 0.1199 0.6476 0.7390 -0.1856 11.590 18.734 -3.419 B 41 HIS B 60 HIS^? B 43 HIS B 14 HIS^? B 65 GLU B 12 GLU^? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 3 3 RMSD = 1.27 A TRANSFORM 0.2248 0.1227 -0.9666 0.5758 0.7836 0.2334 0.7861 -0.6090 0.1056 21.618 -0.156 27.155 A 229 ALA B 77 ALA~? A 257 ALA B 81 ALA~? A 328 ASP B 40 ASP~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 1 3 RMSD = 1.28 A TRANSFORM 0.2290 -0.1213 0.9658 0.5757 -0.7832 -0.2349 0.7850 0.6098 -0.1095 42.488 26.128 1.894 A 229 ALA A 77 ALA~? A 257 ALA A 81 ALA~? A 328 ASP A 40 ASP~? ULMNm 3 1ct9_c04 ASPARAGINE SYNTHETASE B user 1 3 RMSD = 1.29 A TRANSFORM -0.7409 -0.0087 -0.6716 -0.0957 0.9911 0.0928 0.6648 0.1331 -0.7351 0.393 60.926 111.399 A 1 ALA A 42 ALA~? A 74 ASN A 45 ASN~? A 75 GLY A 46 GLY.? ULMNm 3 1ct9_c04 ASPARAGINE SYNTHETASE B user 2 3 RMSD = 1.29 A TRANSFORM -0.7429 0.0113 0.6693 -0.0965 -0.9912 -0.0904 0.6624 -0.1318 0.7375 11.205 97.619 128.813 A 1 ALA B 42 ALA~? A 74 ASN B 45 ASN~? A 75 GLY B 46 GLY.? ULMNm 3 1ct9_c05 ASPARAGINE SYNTHETASE B user 1 3 RMSD = 1.30 A TRANSFORM -0.2520 0.6630 -0.7050 0.9675 0.1564 -0.1987 -0.0215 -0.7321 -0.6809 34.460 4.414 25.512 B 1 ALA A 42 ALA~? B 74 ASN A 45 ASN~? B 75 GLY A 46 GLY.? ULMNm 3 1ct9_c05 ASPARAGINE SYNTHETASE B user 2 3 RMSD = 1.30 A TRANSFORM -0.2549 -0.6608 0.7059 0.9667 -0.1570 0.2021 -0.0227 0.7339 0.6788 71.773 13.814 8.601 B 1 ALA B 42 ALA~? B 74 ASN B 45 ASN~? B 75 GLY B 46 GLY.? ULMNm 3 1ct9_c06 ASPARAGINE SYNTHETASE B user 1 3 RMSD = 1.33 A TRANSFORM 0.4843 -0.8667 0.1199 -0.6684 -0.4549 -0.5885 0.5646 0.2049 -0.7995 15.492 18.636 25.486 C 1 ALA A 42 ALA~? C 74 ASN A 45 ASN~? C 75 GLY A 46 GLY.? ULMNm 3 1ct9_c07 ASPARAGINE SYNTHETASE B user 1 3 RMSD = 1.33 A TRANSFORM 0.9712 -0.2225 0.0854 -0.2224 -0.7180 0.6596 -0.0855 -0.6596 -0.7468 -20.701 50.766 114.388 D 1 ALA A 42 ALA~? D 74 ASN A 45 ASN~? D 75 GLY A 46 GLY.? ULMNm 3 1ct9_c06 ASPARAGINE SYNTHETASE B user 2 3 RMSD = 1.33 A TRANSFORM 0.4856 0.8658 -0.1207 -0.6696 0.4572 0.5853 0.5619 -0.2034 0.8018 -19.923 10.850 46.743 C 1 ALA B 42 ALA~? C 74 ASN B 45 ASN~? C 75 GLY B 46 GLY.? ULMNm 3 1ct9_c07 ASPARAGINE SYNTHETASE B user 2 3 RMSD = 1.34 A TRANSFORM 0.9717 0.2212 -0.0829 -0.2196 0.7165 -0.6621 -0.0870 0.6616 0.7448 -30.654 12.060 101.372 D 1 ALA B 42 ALA~? D 74 ASN B 45 ASN~? D 75 GLY B 46 GLY.? ULMNm 3 1cqt_d00 GENE REGULATION/DNA user 13 3 RMSD = 1.41 A TRANSFORM 0.0354 -0.7484 0.6623 0.5054 -0.5583 -0.6579 0.8621 0.3580 0.3585 64.113 27.296 -12.259 I 303 TYR B 58 TYR^? I 306 VAL B 54 VAL^? I 308 VAL B 27 VAL~? ULMNm 3 1cqt_d00 GENE REGULATION/DNA user 6 3 RMSD = 1.42 A TRANSFORM 0.0411 0.7500 -0.6602 0.4998 0.5567 0.6635 0.8652 -0.3572 -0.3520 24.060 16.832 -4.563 I 303 TYR A 58 TYR^? I 306 VAL A 54 VAL^? I 308 VAL A 27 VAL~? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 2 3 RMSD = 1.43 A TRANSFORM 0.5720 0.8029 0.1676 0.5223 -0.1991 -0.8292 -0.6324 0.5618 -0.5333 8.331 39.417 -58.317 D 465 GLY A 4 GLY^? D 501 ASP B 57 ASP.? E 367 TYR B 7 TYR^? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 13 3 RMSD = 1.43 A TRANSFORM -0.6862 -0.1490 0.7120 -0.5647 0.7261 -0.3923 -0.4585 -0.6712 -0.5824 33.492 -27.708 172.812 C 70 ALA B 51 ALA^? C 126 LEU B 52 LEU^? C 158 GLU B 53 GLU^? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 4 3 RMSD = 1.44 A TRANSFORM 0.5712 -0.8034 -0.1681 0.5238 0.1992 0.8282 -0.6319 -0.5611 0.5346 36.467 45.550 -27.747 D 465 GLY B 4 GLY^? D 501 ASP A 57 ASP.? E 367 TYR A 7 TYR^? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 2 3 RMSD = 1.44 A TRANSFORM -0.0787 0.6846 0.7246 -0.7615 -0.5104 0.3996 0.6434 -0.5204 0.5615 11.691 49.269 -7.849 A 465 GLY A 4 GLY^? A 501 ASP B 57 ASP.? B 367 TYR B 7 TYR^? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 4 3 RMSD = 1.44 A TRANSFORM -0.0803 -0.6850 -0.7241 -0.7618 0.5107 -0.3986 0.6429 0.5196 -0.5628 26.002 22.959 -37.289 A 465 GLY B 4 GLY^? A 501 ASP A 57 ASP.? B 367 TYR A 7 TYR^? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 5 3 RMSD = 1.45 A TRANSFORM -0.6912 0.1497 -0.7070 -0.5569 -0.7338 0.3891 -0.4606 0.6627 0.5905 15.960 6.733 156.729 C 70 ALA A 51 ALA^? C 126 LEU A 52 LEU^? C 158 GLU A 53 GLU^? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 13 3 RMSD = 1.46 A TRANSFORM 0.7869 -0.6131 -0.0702 -0.3267 -0.5104 0.7955 -0.5236 -0.6030 -0.6019 1.336 68.825 170.296 A 70 ALA B 51 ALA^? A 126 LEU B 52 LEU^? A 158 GLU B 53 GLU^? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 1 3 RMSD = 1.46 A TRANSFORM -0.4535 0.3432 0.8226 -0.8463 0.1237 -0.5181 -0.2795 -0.9311 0.2343 54.897 23.452 16.291 A 67 ASP A 32 ASP~? A 68 ALA A 31 ALA~? A 72 LEU A 26 LEU.? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 3 3 RMSD = 1.47 A TRANSFORM -0.4551 -0.3438 -0.8214 -0.8414 -0.1358 0.5231 -0.2914 0.9292 -0.2274 54.464 37.428 -23.079 A 67 ASP B 32 ASP~? A 68 ALA B 31 ALA~? A 72 LEU B 26 LEU.? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 12 3 RMSD = 1.47 A TRANSFORM -0.1575 0.6893 -0.7071 0.8425 -0.2798 -0.4604 -0.5152 -0.6682 -0.5367 -66.106 -7.663 175.497 B 70 ALA B 51 ALA^? B 126 LEU B 52 LEU^? B 158 GLU B 53 GLU^? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 5 3 RMSD = 1.47 A TRANSFORM 0.7825 0.6186 0.0712 -0.3349 0.5145 -0.7894 -0.5249 0.5938 0.6098 -21.081 36.005 157.162 A 70 ALA A 51 ALA^? A 126 LEU A 52 LEU^? A 158 GLU A 53 GLU^? ULMNm 3 2odj_o01 PORIN D user 1 3 RMSD = 1.48 A TRANSFORM -0.2159 -0.9462 0.2411 -0.1837 0.2819 0.9417 -0.9590 0.1590 -0.2346 -10.652 -15.531 90.695 B 156 HIS A 92 HIS~? B 208 ASP A 32 ASP~? B 296 SER A 106 SER.? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 5 3 RMSD = 1.49 A TRANSFORM -0.1484 -0.6964 0.7022 0.8427 0.2826 0.4583 -0.5175 0.6597 0.5449 -27.861 -10.791 158.773 B 70 ALA A 51 ALA^? B 126 LEU A 52 LEU^? B 158 GLU A 53 GLU^? ULMNm 3 2odj_o00 PORIN D user 2 3 RMSD = 1.49 A TRANSFORM 0.9658 -0.2346 0.1109 0.0595 -0.2158 -0.9746 0.2526 0.9478 -0.1945 -1.011 27.593 32.091 A 156 HIS A 92 HIS~? A 208 ASP A 32 ASP~? A 296 SER A 106 SER.? ULMNm 3 2odj_o01 PORIN D user 2 3 RMSD = 1.49 A TRANSFORM -0.2174 0.9460 -0.2406 -0.1821 -0.2815 -0.9421 -0.9589 -0.1610 0.2334 -51.121 -20.445 100.823 B 156 HIS B 92 HIS~? B 208 ASP B 32 ASP~? B 296 SER B 106 SER.?