*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 4 1a0s_o00 SUCROSE-SPECIFIC PORIN user 2 4 RMSD = 1.28 A TRANSFORM -0.2535 0.0977 -0.9624 0.9568 0.1714 -0.2347 0.1420 -0.9804 -0.1369 -25.993 -12.615 -1.393 P 437 ARG A 5 ARG^? P 439 GLU B 271 GLU~? P 441 ARG A 83 ARG^? P 480 GLU A 90 GLU^? ULMNm 3 1kim_c00 THYMIDINE KINASE user 5 3 RMSD = 0.78 A TRANSFORM -0.6913 0.6912 0.2106 0.0167 0.3066 -0.9517 -0.7224 -0.6544 -0.2235 40.993 93.909 52.066 A 83 GLU A 90 GLU^? A 163 ARG A 5 ARG^? A 222 ARG A 83 ARG^? ULMNm 3 1kim_c00 THYMIDINE KINASE user 12 3 RMSD = 0.81 A TRANSFORM 0.6523 0.0685 -0.7548 0.0409 0.9913 0.1254 0.7568 -0.1127 0.6438 47.737 98.839 62.819 A 83 GLU B 290 GLU^? A 163 ARG B 205 ARG^? A 222 ARG B 283 ARG^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 2 3 RMSD = 0.92 A TRANSFORM -0.9166 0.3469 -0.1988 0.2390 0.0768 -0.9680 -0.3205 -0.9347 -0.1533 -6.222 9.143 8.958 141 ASP A 35 ASP^? 166 GLY A 29 GLY^? 169 GLU A 26 GLU~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 9 3 RMSD = 1.03 A TRANSFORM 0.9205 0.2945 -0.2567 -0.2411 0.9452 0.2200 0.3074 -0.1407 0.9411 6.647 10.022 17.355 141 ASP B 235 ASP^? 166 GLY B 229 GLY^? 169 GLU B 226 GLU~? ULMNm 3 1kim_c00 THYMIDINE KINASE user 13 3 RMSD = 1.07 A TRANSFORM -0.4972 -0.1244 0.8587 -0.5225 -0.7472 -0.4107 0.6927 -0.6528 0.3065 56.556 59.716 49.320 A 83 GLU B 290 GLU^? A 163 ARG B 283 ARG^? A 222 ARG B 205 ARG^? ULMNm 3 1emh_d00 HYDROLASE/DNA user 6 3 RMSD = 1.12 A TRANSFORM -0.4903 -0.5904 -0.6412 -0.1552 0.7830 -0.6023 0.8576 -0.1958 -0.4756 1.069 14.343 16.635 A 271 PRO A 104 PRO~? A 272 LEU A 103 LEU~? A 276 ARG A 101 ARG~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 1 3 RMSD = 1.12 A TRANSFORM 0.8211 0.5706 -0.0122 -0.3097 0.4635 0.8302 0.4793 -0.6779 0.5574 40.752 28.356 -3.436 A 229 ALA A 115 ALA~? A 257 ALA A 118 ALA~? A 328 ASP A 95 ASP~? ULMNm 3 1emh_d00 HYDROLASE/DNA user 12 3 RMSD = 1.12 A TRANSFORM 0.4641 0.5867 0.6636 0.1899 0.6659 -0.7215 -0.8652 0.4609 0.1976 15.369 16.460 9.175 A 271 PRO B 304 PRO~? A 272 LEU B 303 LEU~? A 276 ARG B 301 ARG~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 3 3 RMSD = 1.15 A TRANSFORM -0.8075 0.1922 -0.5576 0.3186 -0.6534 -0.6867 -0.4964 -0.7322 0.4664 27.461 27.249 -10.837 A 229 ALA B 315 ALA~? A 257 ALA B 318 ALA~? A 328 ASP B 295 ASP~? ULMNm 3 1uf7_c01 N-CARBAMYL-D-AMINO ACID AMIDOHYDROLAuser 3 3 RMSD = 1.21 A TRANSFORM -0.8015 0.5768 0.1581 -0.0907 0.1440 -0.9854 -0.5911 -0.8041 -0.0631 35.829 78.978 9.621 B 46 GLU A 67 GLU~? B 126 LYS B 248 LYS.? B 171 ALA A 63 ALA~? ULMNm 3 1uf7_c00 N-CARBAMYL-D-AMINO ACID AMIDOHYDROLAuser 3 3 RMSD = 1.22 A TRANSFORM 0.7144 -0.4833 -0.5061 -0.3879 0.3285 -0.8612 0.5824 0.8115 0.0472 35.472 78.985 -2.404 A 46 GLU A 67 GLU~? A 126 LYS B 248 LYS.? A 171 ALA A 63 ALA~? ULMNm 3 1kim_c00 THYMIDINE KINASE user 6 3 RMSD = 1.25 A TRANSFORM 0.6286 -0.7448 -0.2238 0.3659 0.0293 0.9302 -0.6862 -0.6667 0.2910 61.821 69.291 44.693 A 83 GLU A 90 GLU^? A 163 ARG A 83 ARG^? A 222 ARG A 5 ARG^? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 2 3 RMSD = 1.29 A TRANSFORM -0.3171 -0.7188 -0.6187 -0.8280 -0.1083 0.5502 -0.4624 0.6868 -0.5608 39.172 27.776 17.523 A 229 ALA A 118 ALA~? A 257 ALA A 115 ALA~? A 328 ASP A 95 ASP~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 4 3 RMSD = 1.31 A TRANSFORM 0.3024 0.3729 0.8772 0.8261 -0.5617 -0.0460 0.4756 0.7386 -0.4779 48.945 37.188 24.605 A 229 ALA B 318 ALA~? A 257 ALA B 315 ALA~? A 328 ASP B 295 ASP~? ULMNm 3 1emh_d00 HYDROLASE/DNA user 4 3 RMSD = 1.35 A TRANSFORM -0.7868 -0.5498 -0.2805 -0.6079 0.7687 0.1987 0.1064 0.3269 -0.9391 5.140 11.539 12.405 A 271 PRO A 70 PRO~? A 272 LEU A 66 LEU~? A 276 ARG A 64 ARG~? ULMNm 3 1bd3_c02 URACIL PHOSPHORIBOSYLTRANSFERASE user 1 3 RMSD = 1.38 A TRANSFORM -0.6645 -0.0583 0.7450 -0.0592 0.9979 0.0253 -0.7449 -0.0272 -0.6666 -20.473 59.205 38.444 C 137 ARG A 83 ARG^? C 141 THR A 7 THR^? C 235 ASP A 35 ASP^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 1 3 RMSD = 1.39 A TRANSFORM -0.9830 0.0909 -0.1596 0.1083 -0.4148 -0.9034 -0.1483 -0.9054 0.3979 -4.675 13.076 10.086 141 ASP A 35 ASP^? 166 GLY A 29 GLY^? 169 GLU A 25 GLU~? ULMNm 3 1bs4_c00 PEPTIDE DEFORMYLASE user 1 3 RMSD = 1.39 A TRANSFORM -0.0034 0.2150 -0.9766 0.2046 -0.9558 -0.2111 -0.9788 -0.2006 -0.0408 49.170 58.604 75.059 A 50 GLN A 18 GLN~? A 91 LEU A 8 LEU^? A 133 GLU A 14 GLU~? ULMNm 3 1ct9_c04 ASPARAGINE SYNTHETASE B user 1 3 RMSD = 1.40 A TRANSFORM 0.7147 0.5566 -0.4235 -0.6823 0.4220 -0.5969 -0.1535 0.7156 0.6814 -3.755 71.326 126.220 A 1 ALA A 118 ALA~? A 74 ASN A 58 ASN~? A 75 GLY A 27 GLY.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 6 3 RMSD = 1.40 A TRANSFORM -0.5018 -0.4230 -0.7545 0.6643 -0.7471 -0.0229 -0.5540 -0.5127 0.6559 -3.702 7.115 10.713 141 ASP B 235 ASP^? 166 GLY A 27 GLY.? 169 GLU A 25 GLU~? ULMNm 3 1bs4_c01 PEPTIDE DEFORMYLASE user 1 3 RMSD = 1.40 A TRANSFORM -0.3758 0.9242 0.0681 0.0748 -0.0429 0.9963 0.9237 0.3795 -0.0530 75.790 35.689 47.296 B 550 GLN A 18 GLN~? B 591 LEU A 8 LEU^? B 633 GLU A 14 GLU~? ULMNm 3 1bs4_c02 PEPTIDE DEFORMYLASE user 1 3 RMSD = 1.40 A TRANSFORM 0.2243 -0.5717 -0.7892 0.2182 -0.7598 0.6124 -0.9498 -0.3096 -0.0457 82.581 39.066 52.912 C1050 GLN A 18 GLN~? C1091 LEU A 8 LEU^? C1133 GLU A 14 GLU~? ULMNm 3 1ct9_c04 ASPARAGINE SYNTHETASE B user 2 3 RMSD = 1.40 A TRANSFORM -0.7068 0.5785 -0.4073 0.6875 0.6973 -0.2026 0.1668 -0.4232 -0.8905 -13.683 82.516 122.884 A 1 ALA B 318 ALA~? A 74 ASN B 258 ASN~? A 75 GLY B 227 GLY.? ULMNm 3 1ct9_c05 ASPARAGINE SYNTHETASE B user 1 3 RMSD = 1.41 A TRANSFORM -0.0197 0.9397 -0.3413 -0.5727 0.2692 0.7743 0.8195 0.2107 0.5329 44.656 19.300 21.102 B 1 ALA A 118 ALA~? B 74 ASN A 58 ASN~? B 75 GLY A 27 GLY.? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 20 3 RMSD = 1.42 A TRANSFORM -0.6328 -0.7624 0.1354 0.6320 -0.6095 -0.4786 0.4474 -0.2173 0.8675 -8.283 5.016 143.409 C 70 ALA B 268 ALA~? C 126 LEU B 269 LEU~? C 158 GLU B 271 GLU~? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 20 3 RMSD = 1.42 A TRANSFORM 0.8725 -0.1428 -0.4674 0.2574 0.9472 0.1912 0.4154 -0.2871 0.8631 -17.490 9.882 143.829 B 70 ALA B 268 ALA~? B 126 LEU B 269 LEU~? B 158 GLU B 271 GLU~? ULMNm 3 1bsj_c00 PEPTIDE DEFORMYLASE user 1 3 RMSD = 1.43 A TRANSFORM -0.1615 0.9869 -0.0028 -0.7443 -0.1237 -0.6563 -0.6481 -0.1039 0.7545 24.594 64.922 65.531 A 50 GLN A 18 GLN~? A 91 LEU A 8 LEU^? A 133 GLU A 14 GLU~? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 10 3 RMSD = 1.43 A TRANSFORM -0.8117 0.3702 0.4518 -0.4417 0.1172 -0.8895 -0.3823 -0.9215 0.0684 -26.265 2.892 135.003 B 70 ALA A 68 ALA~? B 126 LEU A 69 LEU~? B 158 GLU A 71 GLU~? ULMNm 3 1bd3_c00 URACIL PHOSPHORIBOSYLTRANSFERASE user 1 3 RMSD = 1.44 A TRANSFORM 0.6759 0.0551 -0.7350 0.0447 -0.9984 -0.0337 -0.7357 -0.0100 -0.6773 20.540 101.927 38.372 A 137 ARG A 83 ARG^? A 141 THR A 7 THR^? A 235 ASP A 35 ASP^? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 10 3 RMSD = 1.44 A TRANSFORM 0.7624 -0.3528 0.5425 -0.4856 0.2421 0.8400 -0.4277 -0.9038 0.0132 1.582 0.844 133.978 C 70 ALA A 68 ALA~? C 126 LEU A 69 LEU~? C 158 GLU A 71 GLU~? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 21 3 RMSD = 1.44 A TRANSFORM -0.1936 0.8825 0.4287 -0.8473 -0.3707 0.3804 0.4946 -0.2896 0.8195 -8.873 15.499 143.308 A 70 ALA B 268 ALA~? A 126 LEU B 269 LEU~? A 158 GLU B 271 GLU~? ULMNm 3 1uf7_c01 N-CARBAMYL-D-AMINO ACID AMIDOHYDROLAuser 8 3 RMSD = 1.44 A TRANSFORM 0.7358 0.0878 -0.6714 0.1409 0.9500 0.2785 0.6623 -0.2995 0.6867 43.348 84.649 23.801 B 46 GLU B 267 GLU~? B 126 LYS A 48 LYS.? B 171 ALA B 263 ALA~? ULMNm 3 1jxa_c02 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 4 3 RMSD = 1.44 A TRANSFORM -0.7619 0.4605 0.4555 -0.5736 -0.8063 -0.1442 0.3009 -0.3712 0.8785 -33.893 -7.162 1.605 A 1 CYH B 278 CYH^? A 98 ASN B 279 ASN^? A 99 GLY B 255 GLY^? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 11 3 RMSD = 1.44 A TRANSFORM 0.0050 -0.1127 -0.9936 0.8891 -0.4544 0.0560 -0.4578 -0.8837 0.0979 -10.876 25.816 133.643 A 70 ALA A 68 ALA~? A 126 LEU A 69 LEU~? A 158 GLU A 71 GLU~? ULMNm 3 1jxa_c02 GLUCOSAMINE 6-PHOSPHATE SYNTHASE user 2 3 RMSD = 1.45 A TRANSFORM 0.7677 -0.3078 -0.5621 0.5735 -0.0616 0.8169 -0.2860 -0.9495 0.1292 -26.666 4.328 -5.346 A 1 CYH A 78 CYH^? A 98 ASN A 79 ASN^? A 99 GLY A 55 GLY^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 3 3 RMSD = 1.47 A TRANSFORM 0.4880 0.5929 0.6406 -0.6899 -0.1876 0.6992 0.5347 -0.7831 0.3175 8.211 -0.136 17.092 141 ASP A 35 ASP^? 166 GLY B 227 GLY.? 169 GLU B 225 GLU~? ULMNm 3 1uf7_c00 N-CARBAMYL-D-AMINO ACID AMIDOHYDROLAuser 8 3 RMSD = 1.47 A TRANSFORM -0.6371 0.2661 0.7234 0.4116 0.9110 0.0274 -0.6517 0.3152 -0.6899 30.480 87.274 -16.353 A 46 GLU B 267 GLU~? A 126 LYS A 48 LYS.? A 171 ALA B 263 ALA~? ULMNm 3 1ct9_c06 ASPARAGINE SYNTHETASE B user 1 3 RMSD = 1.50 A TRANSFORM 0.2856 -0.5293 0.7989 0.9516 0.2555 -0.1710 -0.1136 0.8090 0.5767 9.726 9.256 40.413 C 1 ALA A 118 ALA~? C 74 ASN A 58 ASN~? C 75 GLY A 27 GLY.?