*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1t4c_c02 FORMYL-COENZYME A TRANSFERASE user 5 3 RMSD = 1.02 A TRANSFORM -0.9963 -0.0843 0.0182 0.0603 -0.5304 0.8456 0.0616 -0.8436 -0.5335 81.042 62.767 52.995 A 261 GLY B 101 GLY.? B 17 GLN B 129 GLN^? B 140 GLU B 9 GLU.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 3 3 RMSD = 1.13 A TRANSFORM -0.4639 -0.7892 -0.4025 0.7353 -0.0896 -0.6718 -0.4941 0.6076 -0.6218 33.471 -0.571 -11.990 141 ASP A 80 ASP^? 166 GLY A 73 GLY.? 169 GLU B 63 GLU~? ULMNm 3 1qgx_c02 3',5'-ADENOSINE BISPHOSPHATASE user 4 3 RMSD = 1.16 A TRANSFORM -0.7793 -0.6091 -0.1474 -0.3868 0.6526 -0.6515 -0.4930 0.4507 0.7442 49.068 3.538 -50.742 A 49 ASP B 31 ASP~? A 147 THR A 28 THR.? A 294 ASP A 31 ASP~? ULMNm 3 1qgx_c02 3',5'-ADENOSINE BISPHOSPHATASE user 1 3 RMSD = 1.19 A TRANSFORM 0.8269 0.5391 -0.1600 0.5195 -0.8412 -0.1499 0.2154 -0.0409 0.9757 -25.892 48.974 -42.876 A 49 ASP A 31 ASP~? A 147 THR B 28 THR~? A 294 ASP B 31 ASP~? ULMNm 3 1oqz_c00 GLUTARYL ACYLASE user 6 3 RMSD = 1.21 A TRANSFORM -0.7156 0.0477 -0.6968 0.6972 0.1091 -0.7085 -0.0422 0.9929 0.1113 88.846 29.508 2.443 A 170 SER B 68 SER~? A 239 VAL B 25 VAL~? A 413 ASN B 21 ASN~? ULMNm 3 1oqz_c01 GLUTARYL ACYLASE user 6 3 RMSD = 1.22 A TRANSFORM 0.7160 -0.0624 0.6953 0.6964 0.1337 -0.7051 0.0490 -0.9891 -0.1391 17.304 -6.061 52.531 B 170 SER B 68 SER~? B 239 VAL B 25 VAL~? B 413 ASN B 21 ASN~? ULMNm 3 1pyl_c00 RIBONUCLEASE user 1 3 RMSD = 1.22 A TRANSFORM 0.8802 0.4569 -0.1285 -0.4016 0.8613 0.3113 -0.2529 0.2224 -0.9416 -18.856 -18.449 26.752 A 56 GLU A 20 GLU~? A 67 ARG A 72 ARG~? A 86 HIS A 13 HIS~? ULMNm 3 1oqz_c00 GLUTARYL ACYLASE user 3 3 RMSD = 1.24 A TRANSFORM 0.8087 -0.0557 -0.5855 -0.5879 -0.1086 -0.8016 0.0189 -0.9925 0.1205 70.316 60.720 90.794 A 170 SER A 68 SER~? A 239 VAL A 25 VAL~? A 413 ASN A 21 ASN~? ULMNm 3 1oqz_c01 GLUTARYL ACYLASE user 3 3 RMSD = 1.25 A TRANSFORM -0.8092 0.0704 0.5833 -0.5872 -0.1332 -0.7984 -0.0215 0.9886 -0.1491 34.531 27.345 -35.281 B 170 SER A 68 SER~? B 239 VAL A 25 VAL~? B 413 ASN A 21 ASN~? ULMNm 3 1t4c_c02 FORMYL-COENZYME A TRANSFERASE user 4 3 RMSD = 1.29 A TRANSFORM 0.8878 -0.1290 -0.4417 0.0145 -0.9515 0.3072 0.4600 0.2792 0.8429 43.770 46.963 -1.847 A 261 GLY A 101 GLY.? B 17 GLN A 157 GLN^? B 140 GLU A 9 GLU.? ULMNm 3 1pyi_d00 PROTEIN (PYRIMIDINE PATHWAY REGULATOuser 2 3 RMSD = 1.30 A TRANSFORM 0.8444 -0.0008 -0.5358 -0.5173 -0.2613 -0.8149 0.1393 -0.9653 0.2210 20.026 61.073 152.781 A 40 LYS A 109 LYS~? A 41 LYS A 108 LYS~? A 42 ILE A 110 ILE~? ULMNm 3 1j53_c00 DNA POLYMERASE III, EPSILON CHAIN user 9 3 RMSD = 1.34 A TRANSFORM 0.3825 0.9067 0.1778 -0.9200 0.3559 0.1640 -0.0854 0.2263 -0.9703 -62.151 8.223 -19.569 A 14 GLU B 43 GLU.? A 61 GLU B 9 GLU.? A 162 HIS B 13 HIS~? ULMNm 3 1t4c_c02 FORMYL-COENZYME A TRANSFERASE user 8 3 RMSD = 1.34 A TRANSFORM -0.8096 0.1760 -0.5600 -0.0685 0.9191 0.3880 -0.5830 -0.3525 0.7321 54.994 -33.611 44.775 A 261 GLY B 101 GLY.? B 17 GLN B 157 GLN^? B 140 GLU B 9 GLU.? ULMNm 3 1dfo_c06 SERINE HYDROXYMETHYLTRANSFERASE user 6 3 RMSD = 1.37 A TRANSFORM -0.4663 0.3760 -0.8007 -0.4171 -0.8917 -0.1758 0.7801 -0.2520 -0.5726 7.732 66.590 61.542 C 57 GLU A 95 GLU^? C 226 THR A 104 THR~? C 229 LYS A 108 LYS~? ULMNm 3 1dfo_c04 SERINE HYDROXYMETHYLTRANSFERASE user 6 3 RMSD = 1.37 A TRANSFORM -0.9146 0.3871 0.1165 0.4023 0.9001 0.1673 0.0401 -0.1999 0.9790 11.263 76.636 67.818 A 57 GLU A 95 GLU^? A 226 THR A 104 THR~? A 229 LYS A 108 LYS~? ULMNm 3 1dfo_c05 SERINE HYDROXYMETHYLTRANSFERASE user 6 3 RMSD = 1.37 A TRANSFORM 0.6011 0.7385 -0.3054 -0.7859 0.4770 -0.3936 0.1450 -0.4766 -0.8671 -5.993 88.905 64.106 B 57 GLU A 95 GLU^? B 226 THR A 104 THR~? B 229 LYS A 108 LYS~? ULMNm 3 1dfo_c07 SERINE HYDROXYMETHYLTRANSFERASE user 6 3 RMSD = 1.38 A TRANSFORM 0.1481 0.7799 0.6081 0.7945 -0.4600 0.3964 -0.5889 -0.4245 0.6878 2.878 54.086 78.393 D 57 GLU A 95 GLU^? D 226 THR A 104 THR~? D 229 LYS A 108 LYS~? ULMNm 3 1pnl_c00 PENICILLIN AMIDOHYDROLASE user 3 3 RMSD = 1.39 A TRANSFORM -0.3718 0.9281 -0.0182 0.8010 0.3109 -0.5116 0.4691 0.2048 0.8591 -17.470 16.274 11.756 B 1 SER A 68 SER~? B 69 ALA A 22 ALA~? B 241 ASN A 21 ASN~? ULMNm 3 1pnl_c00 PENICILLIN AMIDOHYDROLASE user 6 3 RMSD = 1.42 A TRANSFORM 0.3292 -0.9432 0.0451 -0.6862 -0.2718 -0.6747 -0.6486 -0.1911 0.7367 55.597 65.387 48.258 B 1 SER B 68 SER~? B 69 ALA B 22 ALA~? B 241 ASN B 21 ASN~? ULMNm 3 1t4c_c02 FORMYL-COENZYME A TRANSFERASE user 1 3 RMSD = 1.44 A TRANSFORM 0.9955 0.0537 0.0778 -0.0935 0.4340 0.8961 -0.0144 0.8993 -0.4370 42.362 19.655 -21.090 A 261 GLY A 101 GLY.? B 17 GLN A 129 GLN^? B 140 GLU A 9 GLU.? ULMNm 3 1dub_c17 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.45 A TRANSFORM 0.1151 -0.4815 -0.8688 0.5030 -0.7260 0.4690 0.8566 0.4910 -0.1586 58.681 84.044 125.430 F 141 GLY A 101 GLY.? F 144 GLU A 128 GLU.? F 164 GLU A 103 GLU~? ULMNm 3 1pyi_d00 PROTEIN (PYRIMIDINE PATHWAY REGULATOuser 5 3 RMSD = 1.45 A TRANSFORM -0.8298 0.0833 -0.5518 0.5577 0.0875 -0.8254 0.0205 0.9927 0.1191 42.092 29.044 63.226 A 40 LYS B 109 LYS~? A 41 LYS B 108 LYS~? A 42 ILE B 110 ILE~? ULMNm 3 1dub_c14 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.45 A TRANSFORM 0.9137 -0.2243 -0.3388 -0.1876 0.5068 -0.8414 -0.3604 -0.8324 -0.4210 41.679 87.248 159.290 C 141 GLY A 101 GLY.? C 144 GLU A 128 GLU.? C 164 GLU A 103 GLU~? ULMNm 3 1dub_c16 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.46 A TRANSFORM 0.4165 0.9078 -0.0502 0.6470 -0.2572 0.7178 -0.6386 0.3314 0.6945 59.226 82.423 180.717 E 141 GLY A 101 GLY.? E 144 GLU A 128 GLU.? E 164 GLU A 103 GLU~? ULMNm 3 1dub_c15 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.46 A TRANSFORM -0.9612 0.0532 0.2707 0.2117 -0.4868 0.8474 -0.1769 -0.8719 -0.4567 105.295 97.074 153.520 D 141 GLY A 101 GLY.? D 144 GLU A 128 GLU.? D 164 GLU A 103 GLU~? ULMNm 3 1dub_c13 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.47 A TRANSFORM -0.0059 0.5685 0.8227 -0.4919 0.7146 -0.4973 0.8706 0.4076 -0.2754 82.648 100.841 123.421 B 141 GLY A 101 GLY.? B 144 GLU A 128 GLU.? B 164 GLU A 103 GLU~? ULMNm 3 1t4c_c02 FORMYL-COENZYME A TRANSFERASE user 7 3 RMSD = 1.48 A TRANSFORM 0.6893 0.2755 0.6700 -0.4181 0.9066 0.0574 0.5916 0.3197 -0.7401 41.984 -33.576 -32.063 A 261 GLY B 101 GLY.? B 17 GLN B 154 GLN.? B 140 GLU B 103 GLU~? ULMNm 3 1cns_c01 CHITINASE user 4 3 RMSD = 1.50 A TRANSFORM -0.6794 0.6393 0.3602 -0.6742 -0.3502 -0.6503 0.2896 0.6846 -0.6689 1.229 11.173 30.381 B 67 GLU A 40 GLU^? B 89 GLU A 36 GLU.? B 120 SER A 93 SER^? ULMNm 3 1cns_c00 CHITINASE user 5 3 RMSD = 1.50 A TRANSFORM -0.3259 0.6543 -0.6824 0.1076 -0.6914 -0.7144 0.9393 0.3062 -0.1550 -56.879 27.507 45.423 A 67 GLU A 151 GLU.? A 89 GLU A 75 GLU~? A 120 SER A 77 SER~? ULMNm 3 1bdv_d00 GENE REGULATION/DNA user 2 3 RMSD = 1.50 A TRANSFORM -0.8985 0.3719 -0.2332 -0.3448 -0.2692 0.8993 -0.2717 -0.8884 -0.3701 15.083 39.100 61.820 A 9 GLN B 129 GLN^? A 11 ASN B 160 ASN^? A 13 ARG B 162 ARG^?