*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 4 1pix_c02 GLUTACONYL-COA DECARBOXYLASE A SUBUNuser 3 4 RMSD = 1.16 A TRANSFORM 0.3139 0.1689 0.9343 0.2787 0.9243 -0.2607 -0.9076 0.3422 0.2431 -34.354 98.250 6.085 A 457 ALA A 95 ALA~? A 458 ALA A 96 ALA~? B 193 ALA A 91 ALA~? B 194 GLY A 76 GLY^? ULMNm 4 1pix_c03 GLUTACONYL-COA DECARBOXYLASE A SUBUNuser 2 4 RMSD = 1.17 A TRANSFORM 0.1415 -0.2053 -0.9684 0.1608 -0.9605 0.2271 -0.9768 -0.1878 -0.1029 138.562 112.792 50.912 A 193 ALA A 91 ALA~? A 194 GLY A 76 GLY^? B 457 ALA A 95 ALA~? B 458 ALA A 96 ALA~? ULMNm 3 2dbt_c01 CHITINASE C user 4 3 RMSD = 0.79 A TRANSFORM 0.3593 -0.7453 -0.5617 -0.9329 -0.3033 -0.1942 -0.0256 0.5938 -0.8042 140.023 133.058 61.444 B 147 GLU A 129 GLU.? B 156 GLU A 125 GLU^? B 194 ASN A 189 ASN~? ULMNm 3 2dbt_c02 CHITINASE C user 4 3 RMSD = 0.83 A TRANSFORM 0.3964 -0.8975 0.1933 0.8515 0.4382 0.2881 -0.3433 0.0504 0.9379 67.063 -56.275 -74.847 C 147 GLU A 129 GLU.? C 156 GLU A 125 GLU^? C 194 ASN A 189 ASN~? ULMNm 3 2dbt_c00 CHITINASE C user 4 3 RMSD = 0.83 A TRANSFORM -0.4281 0.8778 0.2149 -0.9006 -0.4342 -0.0207 0.0752 -0.2024 0.9764 8.946 75.453 -80.598 A 147 GLU A 129 GLU.? A 156 GLU A 125 GLU^? A 194 ASN A 189 ASN~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 1 3 RMSD = 0.92 A TRANSFORM -0.4543 0.3140 -0.8337 -0.8305 -0.4877 0.2690 -0.3222 0.8146 0.4823 50.599 32.571 -63.101 141 ASP A 26 ASP~? 166 GLY A 76 GLY^? 169 GLU A 79 GLU^? ULMNm 3 1muc_c00 MUCONATE LACTONIZING ENZYME user 1 3 RMSD = 1.01 A TRANSFORM 0.6166 0.1150 -0.7788 -0.3061 0.9464 -0.1027 0.7253 0.3017 0.6188 56.085 -29.946 -44.044 A 167 LYS A 18 LYS~? A 169 LYS A 22 LYS~? A 327 GLU A 210 GLU.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 13 3 RMSD = 1.05 A TRANSFORM 0.4156 0.4608 -0.7842 -0.1652 0.8861 0.4331 0.8944 -0.0505 0.4444 29.028 -36.357 -46.139 141 ASP B 185 ASP.? 166 GLY B 144 GLY^? 169 GLU B 142 GLU.? ULMNm 3 2v3r_p00 EXOGLUCANASE 1 user 4 3 RMSD = 1.16 A TRANSFORM -0.1993 -0.8529 -0.4826 0.9082 -0.3457 0.2360 -0.3681 -0.3913 0.8434 83.199 35.671 39.805 A 270 ASN B 15 ASN~? A 384 ASN B 67 ASN^? A 385 GLU B 62 GLU^? ULMNm 3 2v3r_p00 EXOGLUCANASE 1 user 3 3 RMSD = 1.17 A TRANSFORM -0.3347 -0.7852 -0.5210 0.9343 -0.3485 -0.0750 -0.1227 -0.5119 0.8502 84.918 62.909 42.078 A 270 ASN B 13 ASN~? A 384 ASN B 67 ASN^? A 385 GLU B 62 GLU^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 8 3 RMSD = 1.18 A TRANSFORM 0.2499 -0.4556 0.8544 0.1045 -0.8645 -0.4916 0.9626 0.2122 -0.1685 -64.589 104.009 -10.742 141 ASP A 185 ASP~? 166 GLY A 144 GLY^? 169 GLU A 142 GLU.? ULMNm 3 1lio_c01 ADENOSINE KINASE user 1 3 RMSD = 1.22 A TRANSFORM 0.1202 -0.8667 0.4840 0.1506 -0.4660 -0.8719 0.9813 0.1777 0.0745 27.713 101.816 12.153 A 316 ALA A 95 ALA~? A 317 GLY A 73 GLY^? A 318 ASP A 99 ASP.? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 4 3 RMSD = 1.23 A TRANSFORM -0.4729 0.0262 -0.8807 0.5920 0.7497 -0.2956 0.6526 -0.6612 -0.3701 104.111 8.795 29.305 A 465 GLY A 181 GLY~? A 501 ASP B 111 ASP~? B 367 TYR A 77 TYR^? ULMNm 3 1cjy_c00 CYTOSOLIC PHOSPHOLIPASE A2 user 2 3 RMSD = 1.26 A TRANSFORM 0.7261 0.6864 0.0395 0.4311 -0.4992 0.7516 0.5356 -0.5288 -0.6584 7.805 -58.418 132.734 A 198 GLY B 66 GLY^? A 228 SER B 68 SER^? A 549 ASP B 99 ASP.? ULMNm 3 1geq_c02 TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT user 2 3 RMSD = 1.27 A TRANSFORM -0.9986 0.0488 0.0195 0.0470 0.9953 -0.0847 -0.0236 -0.0837 -0.9962 39.928 -26.412 165.909 A 36 GLU A 164 GLU~? A 47 ASP B 99 ASP.? A 161 TYR A 165 TYR~? ULMNm 3 1bsj_c00 PEPTIDE DEFORMYLASE user 1 3 RMSD = 1.27 A TRANSFORM -0.6267 -0.0854 -0.7745 -0.4547 0.8473 0.2746 0.6328 0.5243 -0.5698 107.748 15.834 90.795 A 50 GLN B 160 GLN~? A 91 LEU B 158 LEU.? A 133 GLU B 164 GLU~? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 11 3 RMSD = 1.27 A TRANSFORM 0.2597 0.6600 -0.7050 0.1774 -0.7502 -0.6370 -0.9493 0.0404 -0.3119 40.502 112.817 8.171 A 465 GLY B 66 GLY^? A 501 ASP A 168 ASP~? B 367 TYR A 64 TYR^? ULMNm 3 1geq_c03 TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT user 2 3 RMSD = 1.27 A TRANSFORM -0.1291 -0.9908 0.0402 0.9913 -0.1280 0.0302 -0.0248 0.0437 0.9987 102.880 32.485 -36.725 B 36 GLU A 164 GLU~? B 47 ASP B 99 ASP.? B 161 TYR A 165 TYR~? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 1 3 RMSD = 1.28 A TRANSFORM -0.2237 -0.8376 0.4983 0.5482 0.3146 0.7749 -0.8059 0.4465 0.3888 24.296 -55.851 -64.470 A 465 GLY A 17 GLY~? A 501 ASP A 111 ASP~? B 367 TYR A 165 TYR~? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 4 3 RMSD = 1.29 A TRANSFORM -0.7280 -0.5966 -0.3378 -0.0203 -0.4738 0.8804 -0.6853 0.6478 0.3328 99.357 -8.068 -90.247 D 465 GLY A 181 GLY~? D 501 ASP B 111 ASP~? E 367 TYR A 77 TYR^? ULMNm 3 1bs4_c00 PEPTIDE DEFORMYLASE user 1 3 RMSD = 1.30 A TRANSFORM -0.8948 0.1186 0.4303 0.4412 0.0884 0.8931 0.0679 0.9890 -0.1314 17.630 -32.923 50.816 A 50 GLN B 160 GLN~? A 91 LEU B 158 LEU.? A 133 GLU B 164 GLU~? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 1 3 RMSD = 1.30 A TRANSFORM -0.6025 -0.7496 -0.2739 -0.1490 0.4429 -0.8841 0.7841 -0.4919 -0.3786 95.540 97.033 0.759 D 465 GLY A 17 GLY~? D 501 ASP A 111 ASP~? E 367 TYR A 165 TYR~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 9 3 RMSD = 1.30 A TRANSFORM -0.5176 -0.7675 0.3782 -0.0115 0.4482 0.8939 -0.8555 0.4583 -0.2408 -1.137 -98.166 26.002 141 ASP B 26 ASP~? 166 GLY A 181 GLY~? 169 GLU A 148 GLU^? ULMNm 3 1cjy_c01 CYTOSOLIC PHOSPHOLIPASE A2 user 2 3 RMSD = 1.31 A TRANSFORM 0.8565 0.0623 0.5123 -0.1831 -0.8914 0.4145 0.4825 -0.4488 -0.7521 73.179 73.502 209.674 B1198 GLY B 66 GLY^? B1228 SER B 68 SER^? B1549 ASP B 99 ASP.? ULMNm 3 1geq_c02 TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT user 4 3 RMSD = 1.31 A TRANSFORM -0.9298 -0.0246 -0.3673 -0.0598 -0.9744 0.2167 -0.3632 0.2234 0.9045 72.183 30.376 5.329 A 36 GLU B 164 GLU~? A 47 ASP A 99 ASP.? A 161 TYR B 165 TYR~? ULMNm 3 1lij_c01 ADENOSINE KINASE user 1 3 RMSD = 1.31 A TRANSFORM -0.7597 0.6470 -0.0654 -0.6383 -0.7225 0.2657 0.1246 0.2435 0.9618 134.469 40.765 -84.152 A 316 ALA A 95 ALA~? A 317 GLY A 73 GLY^? A 318 ASP A 99 ASP.? ULMNm 3 1geq_c03 TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT user 4 3 RMSD = 1.31 A TRANSFORM -0.0329 0.9784 -0.2040 0.9463 0.0962 0.3088 0.3218 -0.1828 -0.9290 41.586 2.508 122.639 B 36 GLU B 164 GLU~? B 47 ASP A 99 ASP.? B 161 TYR B 165 TYR~? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.32 A TRANSFORM 0.7243 0.2734 0.6330 -0.4008 -0.5801 0.7091 0.5611 -0.7673 -0.3106 -52.025 -41.233 -3.695 B 250 ALA A 95 ALA~? B 251 GLY A 73 GLY^? B 252 ASP A 99 ASP.? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 11 3 RMSD = 1.32 A TRANSFORM -0.0175 0.9990 0.0407 -0.2889 -0.0441 0.9563 0.9572 0.0050 0.2894 -22.397 -23.285 -74.102 D 465 GLY B 66 GLY^? D 501 ASP A 168 ASP~? E 367 TYR A 64 TYR^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 2 3 RMSD = 1.34 A TRANSFORM -0.4388 0.7548 -0.4876 0.1358 -0.4807 -0.8663 -0.8883 -0.4463 0.1084 7.706 79.946 36.111 141 ASP A 26 ASP~? 166 GLY B 181 GLY~? 169 GLU B 148 GLU^? ULMNm 3 2dbt_c01 CHITINASE C user 3 3 RMSD = 1.34 A TRANSFORM 0.1924 -0.9806 -0.0362 -0.9476 -0.1952 0.2530 -0.2552 -0.0144 -0.9668 101.466 80.183 117.644 B 147 GLU A 125 GLU^? B 156 GLU A 148 GLU^? B 194 ASN A 189 ASN~? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.34 A TRANSFORM 0.3370 0.8478 -0.4095 -0.6478 -0.1069 -0.7543 -0.6832 0.5195 0.5132 14.143 52.302 -50.308 A 250 ALA A 95 ALA~? A 251 GLY A 73 GLY^? A 252 ASP A 99 ASP.? ULMNm 3 2dbt_c01 CHITINASE C user 8 3 RMSD = 1.34 A TRANSFORM 0.2956 0.9498 0.1024 -0.8323 0.3087 -0.4605 -0.4690 0.0509 0.8817 9.348 118.013 -30.966 B 147 GLU B 125 GLU^? B 156 GLU B 148 GLU^? B 194 ASN B 189 ASN.? ULMNm 3 1bs4_c01 PEPTIDE DEFORMYLASE user 1 3 RMSD = 1.34 A TRANSFORM -0.5373 0.1123 -0.8359 0.8051 -0.2267 -0.5480 -0.2511 -0.9675 0.0314 156.240 83.211 82.365 B 550 GLN B 160 GLN~? B 591 LEU B 158 LEU.? B 633 GLU B 164 GLU~? ULMNm 3 1bs4_c02 PEPTIDE DEFORMYLASE user 1 3 RMSD = 1.34 A TRANSFORM -0.2505 0.0660 0.9659 0.9592 -0.1183 0.2568 0.1312 0.9908 -0.0337 -5.352 6.415 18.826 C1050 GLN B 160 GLN~? C1091 LEU B 158 LEU.? C1133 GLU B 164 GLU~? ULMNm 3 2dw7_c38 BLL6730 PROTEIN user 1 3 RMSD = 1.37 A TRANSFORM -0.8641 0.3650 -0.3466 0.2589 -0.2684 -0.9279 -0.4317 -0.8915 0.1374 53.527 115.450 125.402 G 182 LYS A 18 LYS~? G 184 LYS A 22 LYS~? G 345 ASP A 48 ASP~? ULMNm 3 2dbt_c00 CHITINASE C user 14 3 RMSD = 1.38 A TRANSFORM -0.8762 -0.4748 -0.0819 0.2380 -0.2787 -0.9304 0.4190 -0.8348 0.3573 92.980 114.363 -12.432 A 147 GLU B 210 GLU.? A 156 GLU B 204 GLU^? A 194 ASN B 15 ASN~? ULMNm 3 2dbt_c02 CHITINASE C user 3 3 RMSD = 1.39 A TRANSFORM 0.4411 -0.6525 0.6162 0.8949 0.3716 -0.2471 -0.0678 0.6604 0.7478 7.805 2.930 -94.984 C 147 GLU A 125 GLU^? C 156 GLU A 148 GLU^? C 194 ASN A 189 ASN~? ULMNm 3 2dbt_c00 CHITINASE C user 3 3 RMSD = 1.39 A TRANSFORM -0.3626 0.8856 -0.2903 -0.8648 -0.2036 0.4590 0.3474 0.4175 0.8397 60.365 11.188 -106.836 A 147 GLU A 125 GLU^? A 156 GLU A 148 GLU^? A 194 ASN A 189 ASN~? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 5 3 RMSD = 1.39 A TRANSFORM -0.0025 -0.9998 -0.0188 -0.8205 0.0128 -0.5715 0.5716 0.0140 -0.8204 80.406 120.031 13.646 D 465 GLY A 199 GLY^? D 501 ASP A 99 ASP.? E 367 TYR A 149 TYR^? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 20 3 RMSD = 1.40 A TRANSFORM -0.0134 0.9999 -0.0002 -0.9419 -0.0125 0.3355 0.3355 0.0047 0.9420 -0.516 49.519 -124.961 D 465 GLY B 199 GLY^? D 501 ASP B 99 ASP.? E 367 TYR B 149 TYR^? ULMNm 3 2dbt_c02 CHITINASE C user 10 3 RMSD = 1.40 A TRANSFORM 0.6478 0.5898 -0.4823 0.7613 -0.4774 0.4387 0.0285 -0.6514 -0.7582 41.864 -18.147 79.358 C 147 GLU B 125 GLU^? C 156 GLU B 148 GLU^? C 194 ASN B 189 ASN.? ULMNm 3 1vom_c00 MYOSIN user 1 3 RMSD = 1.40 A TRANSFORM -0.4683 0.8597 -0.2040 -0.8513 -0.3772 0.3646 0.2365 0.3444 0.9085 49.057 21.998 -127.610 233 ASN B 112 ASN.? 457 GLY B 66 GLY^? 459 GLU B 62 GLU^? ULMNm 3 2dw7_c41 BLL6730 PROTEIN user 1 3 RMSD = 1.41 A TRANSFORM 0.3230 -0.5089 -0.7980 -0.9361 -0.2958 -0.1903 -0.1392 0.8084 -0.5719 102.797 113.747 6.425 J 182 LYS A 18 LYS~? J 184 LYS A 22 LYS~? J 345 ASP A 48 ASP~? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 3 3 RMSD = 1.41 A TRANSFORM -0.0110 -0.9554 0.2953 0.1403 -0.2938 -0.9455 0.9901 0.0310 0.1372 38.572 137.822 -66.946 D 465 GLY A 73 GLY^? D 501 ASP B 143 ASP.? E 367 TYR B 64 TYR.? ULMNm 3 1pyi_d00 PROTEIN (PYRIMIDINE PATHWAY REGULATOuser 7 3 RMSD = 1.41 A TRANSFORM 0.0128 0.9190 0.3940 -0.0355 -0.3933 0.9187 0.9993 -0.0257 0.0276 -2.286 8.626 99.857 A 40 LYS B 136 LYS~? A 41 LYS B 137 LYS~? A 42 ILE B 138 ILE~? ULMNm 3 1hto_c00 GLUTAMINE SYNTHETASE user 5 3 RMSD = 1.41 A TRANSFORM 0.4454 0.8951 -0.0186 0.7755 -0.3753 0.5076 0.4474 -0.2405 -0.8614 52.775 -9.054 205.545 A 50 ASP B 41 ASP~? A 327 GLU B 133 GLU~? A 339 ARG B 131 ARG.? ULMNm 3 2dbt_c00 CHITINASE C user 10 3 RMSD = 1.42 A TRANSFORM -0.5244 -0.8327 0.1778 -0.7034 0.3061 -0.6415 0.4797 -0.4615 -0.7462 95.957 79.248 54.732 A 147 GLU B 125 GLU^? A 156 GLU B 148 GLU^? A 194 ASN B 189 ASN.? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 2 3 RMSD = 1.42 A TRANSFORM 0.2760 -0.1476 -0.9498 -0.6471 -0.7591 -0.0701 -0.7107 0.6340 -0.3050 107.993 78.015 16.398 A 229 ALA A 91 ALA~? A 257 ALA A 94 ALA~? A 328 ASP A 99 ASP.? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 5 3 RMSD = 1.42 A TRANSFORM 0.6644 -0.6353 0.3937 0.5063 0.7700 0.3882 -0.5498 -0.0586 0.8332 -2.471 -58.737 -78.604 A 465 GLY A 199 GLY^? A 501 ASP A 99 ASP.? B 367 TYR A 149 TYR^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 6 3 RMSD = 1.43 A TRANSFORM 0.4759 0.8771 -0.0656 0.8766 -0.4669 0.1160 0.0711 -0.1127 -0.9911 -26.743 1.532 76.682 141 ASP A 99 ASP.? 166 GLY B 141 GLY.? 169 GLU B 219 GLU.? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 19 3 RMSD = 1.43 A TRANSFORM 0.7407 0.6361 -0.2162 0.5953 -0.7706 -0.2276 -0.3114 0.0399 -0.9495 -4.898 51.038 58.056 A 465 GLY B 199 GLY^? A 501 ASP B 99 ASP.? B 367 TYR B 149 TYR^? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 3 3 RMSD = 1.43 A TRANSFORM -0.0687 -0.3681 0.9272 -0.0975 0.9275 0.3610 -0.9929 -0.0656 -0.0996 -46.362 -35.862 -0.427 A 465 GLY A 73 GLY^? A 501 ASP B 143 ASP.? B 367 TYR B 64 TYR.? ULMNm 3 2dw7_c36 BLL6730 PROTEIN user 1 3 RMSD = 1.45 A TRANSFORM -0.1677 0.7522 -0.6372 -0.5138 0.4850 0.7077 0.8414 0.4461 0.3051 -20.759 -5.058 63.445 E 182 LYS A 18 LYS~? E 184 LYS A 22 LYS~? E 345 ASP A 48 ASP~? ULMNm 3 1a50_c03 TRYPTOPHAN SYNTHASE user 2 3 RMSD = 1.48 A TRANSFORM 0.8536 0.3993 0.3346 -0.5008 0.4525 0.7378 0.1432 -0.7974 0.5862 2.877 -34.187 -1.216 A 49 GLU B 164 GLU~? A 60 ASP A 99 ASP.? A 175 TYR B 165 TYR~? ULMNm 3 2dbt_c02 CHITINASE C user 15 3 RMSD = 1.50 A TRANSFORM 0.9772 0.0966 0.1890 -0.1910 0.0121 0.9815 0.0925 -0.9952 0.0303 18.643 -69.366 28.766 C 147 GLU B 210 GLU.? C 156 GLU B 204 GLU^? C 194 ASN B 15 ASN~? ULMNm 3 2dw7_c32 BLL6730 PROTEIN user 1 3 RMSD = 1.50 A TRANSFORM -0.8481 0.3706 -0.3786 -0.2936 0.2660 0.9182 0.4410 0.8899 -0.1168 21.487 -29.191 -42.976 A 182 LYS A 18 LYS~? A 184 LYS A 22 LYS~? A 345 ASP A 48 ASP~? ULMNm 3 1r4f_c00 IAG-NUCLEOSIDE HYDROLASE user 2 3 RMSD = 1.50 A TRANSFORM -0.3134 -0.0444 -0.9486 -0.3694 -0.9145 0.1649 -0.8749 0.4020 0.2702 112.714 37.545 -2.654 A 10 ASP B 48 ASP~? A 186 ASN B 52 ASN~? A 260 ALA B 8 ALA.? ULMNm 3 2dw7_c42 BLL6730 PROTEIN user 1 3 RMSD = 1.50 A TRANSFORM 0.8583 -0.3722 0.3532 0.1841 0.8660 0.4649 -0.4789 -0.3340 0.8118 38.073 -32.897 -34.308 K 182 LYS A 18 LYS~? K 184 LYS A 22 LYS~? K 345 ASP A 48 ASP~?