*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1hto_c00 GLUTAMINE SYNTHETASE user 5 3 RMSD = 0.78 A TRANSFORM -0.2772 -0.9608 0.0030 0.6841 -0.1951 0.7028 0.6747 -0.1969 -0.7114 104.723 -7.781 124.308 A 50 ASP C 83 ASP.? A 327 GLU A 28 GLU~? A 339 ARG A 24 ARG~? ULMNm 3 1hto_c00 GLUTAMINE SYNTHETASE user 3 3 RMSD = 0.78 A TRANSFORM -0.9990 0.0102 0.0426 0.0308 0.8559 0.5162 0.0312 -0.5170 0.8554 129.509 18.402 119.806 A 50 ASP B 83 ASP.? A 327 GLU C 28 GLU~? A 339 ARG C 24 ARG~? ULMNm 3 1hto_c00 GLUTAMINE SYNTHETASE user 1 3 RMSD = 0.82 A TRANSFORM -0.2979 -0.1625 -0.9407 0.8303 0.4422 -0.3393 -0.4711 0.8821 -0.0032 121.252 4.789 151.882 A 50 ASP A 83 ASP.? A 327 GLU B 28 GLU~? A 339 ARG B 24 ARG~? ULMNm 3 1hto_c00 GLUTAMINE SYNTHETASE user 4 3 RMSD = 1.00 A TRANSFORM -0.9940 0.0732 -0.0808 0.0516 0.9686 0.2431 -0.0960 -0.2375 0.9666 134.918 29.693 122.217 A 50 ASP B 130 ASP.? A 327 GLU C 28 GLU~? A 339 ARG C 24 ARG~? ULMNm 3 1hto_c00 GLUTAMINE SYNTHETASE user 6 3 RMSD = 1.04 A TRANSFORM -0.3776 -0.9211 0.0948 0.4670 -0.1011 0.8785 0.7996 -0.3760 -0.4683 110.226 4.127 115.605 A 50 ASP C 130 ASP.? A 327 GLU A 28 GLU~? A 339 ARG A 24 ARG~? ULMNm 3 1hto_c00 GLUTAMINE SYNTHETASE user 2 3 RMSD = 1.10 A TRANSFORM -0.2375 -0.2995 -0.9241 0.9387 0.1739 -0.2976 -0.2498 0.9381 -0.2398 122.717 7.683 148.160 A 50 ASP A 130 ASP.? A 327 GLU B 28 GLU~? A 339 ARG B 24 ARG~? ULMNm 3 1j53_c00 DNA POLYMERASE III, EPSILON CHAIN user 2 3 RMSD = 1.10 A TRANSFORM 0.4284 -0.5977 -0.6777 0.8924 0.3976 0.2135 -0.1419 0.6962 -0.7037 -3.928 -19.283 -0.388 A 14 GLU A 71 GLU^? A 61 GLU B 60 GLU^? A 162 HIS B 104 HIS^? ULMNm 3 1gal_c00 GLUCOSE OXIDASE (E.C.1.1.3.4) user 7 3 RMSD = 1.10 A TRANSFORM -0.0153 0.9996 -0.0232 0.0627 0.0241 0.9977 -0.9979 -0.0138 0.0630 34.890 -25.947 92.991 412 GLU B 114 GLU^? 516 HIS C 91 HIS^? 559 HIS C 89 HIS^? ULMNm 3 1gal_c00 GLUCOSE OXIDASE (E.C.1.1.3.4) user 3 3 RMSD = 1.11 A TRANSFORM 0.9384 -0.1089 -0.3280 0.0449 0.9795 -0.1965 -0.3427 -0.1697 -0.9240 6.881 -4.706 87.123 412 GLU A 114 GLU^? 516 HIS B 91 HIS^? 559 HIS B 89 HIS^? ULMNm 3 1gal_c00 GLUCOSE OXIDASE (E.C.1.1.3.4) user 11 3 RMSD = 1.11 A TRANSFORM 0.2088 -0.0845 0.9743 0.9403 -0.2566 -0.2237 -0.2689 -0.9628 -0.0258 9.803 -35.513 68.873 412 GLU C 114 GLU^? 516 HIS A 91 HIS^? 559 HIS A 89 HIS^? ULMNm 3 1j53_c00 DNA POLYMERASE III, EPSILON CHAIN user 7 3 RMSD = 1.14 A TRANSFORM -0.4294 -0.4948 0.7555 0.6574 0.4023 0.6372 0.6192 -0.7703 -0.1526 1.429 -18.116 -36.759 A 14 GLU C 71 GLU^? A 61 GLU A 60 GLU^? A 162 HIS A 104 HIS^? ULMNm 3 1j53_c00 DNA POLYMERASE III, EPSILON CHAIN user 5 3 RMSD = 1.15 A TRANSFORM -0.6055 0.6747 -0.4222 0.5839 0.7370 0.3404 -0.5408 0.0404 0.8402 27.891 -10.840 -12.978 A 14 GLU B 71 GLU^? A 61 GLU C 60 GLU^? A 162 HIS C 104 HIS^? ULMNm 3 1aql_c03 BILE-SALT ACTIVATED LIPASE user 10 3 RMSD = 1.17 A TRANSFORM -0.8150 -0.4665 0.3436 -0.1339 -0.4254 -0.8951 -0.5638 0.7755 -0.2842 75.064 101.122 52.943 B 194 SER A 76 SER^? B 292 ASP A 83 ASP.? B 322 HIS C 91 HIS^? ULMNm 3 1aql_c03 BILE-SALT ACTIVATED LIPASE user 24 3 RMSD = 1.17 A TRANSFORM -0.0670 -0.8429 -0.5338 -0.9626 0.1953 -0.1877 -0.2625 -0.5013 0.8245 64.096 117.832 23.174 B 194 SER B 76 SER^? B 292 ASP B 83 ASP.? B 322 HIS A 91 HIS^? ULMNm 3 1aql_c03 BILE-SALT ACTIVATED LIPASE user 38 3 RMSD = 1.18 A TRANSFORM -0.7066 0.1695 -0.6870 -0.4349 -0.8699 0.2326 0.5582 -0.4632 -0.6884 89.212 92.149 20.490 B 194 SER C 76 SER^? B 292 ASP C 83 ASP.? B 322 HIS B 91 HIS^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 7 3 RMSD = 1.19 A TRANSFORM 0.8884 0.1576 -0.4311 0.1732 -0.9849 -0.0031 0.4251 0.0719 0.9023 -37.194 21.641 -25.883 141 ASP B 130 ASP.? 166 GLY B 52 GLY^? 169 GLU B 65 GLU^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 3 3 RMSD = 1.20 A TRANSFORM 0.4438 -0.2200 0.8687 -0.8685 0.1331 0.4775 0.2207 0.9664 0.1320 -44.169 49.759 -5.667 141 ASP A 130 ASP.? 166 GLY A 52 GLY^? 169 GLU A 65 GLU^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 11 3 RMSD = 1.20 A TRANSFORM -0.0502 0.9637 0.2624 -0.1265 0.2545 -0.9588 0.9907 0.0813 -0.1092 -16.430 48.632 -28.869 141 ASP C 130 ASP.? 166 GLY C 52 GLY^? 169 GLU C 65 GLU^? ULMNm 3 1knp_c00 L-ASPARTATE OXIDASE user 2 3 RMSD = 1.28 A TRANSFORM -0.6188 -0.7094 0.3374 0.5248 -0.6929 -0.4944 -0.5845 0.1288 -0.8011 88.625 29.564 184.252 A 290 ARG A 127 ARG^? A 351 HIS A 89 HIS^? A 386 LEU A 137 LEU^? ULMNm 3 1gal_c00 GLUCOSE OXIDASE (E.C.1.1.3.4) user 5 3 RMSD = 1.29 A TRANSFORM -0.9944 -0.1035 0.0204 -0.0170 -0.0343 -0.9993 -0.1041 0.9940 -0.0324 83.633 47.475 50.188 412 GLU B 71 GLU^? 516 HIS C 89 HIS^? 559 HIS C 91 HIS^? ULMNm 3 1vzx_c03 2.04.01.0087 user 2 3 RMSD = 1.29 A TRANSFORM 0.1066 -0.0319 -0.9938 0.9937 -0.0318 0.1076 0.0350 0.9990 -0.0283 26.523 -46.466 -1.856 B1314 TYR A 54 TYR^? B1317 GLU C 71 GLU^? B1365 ARG A 127 ARG^? ULMNm 3 1vzx_c03 2.04.01.0087 user 5 3 RMSD = 1.29 A TRANSFORM -0.8828 0.4179 0.2147 0.4153 0.9078 -0.0593 0.2197 -0.0368 0.9749 40.268 -23.363 -25.669 B1314 TYR B 54 TYR^? B1317 GLU A 71 GLU^? B1365 ARG B 127 ARG^? ULMNm 3 1dub_c13 2-ENOYL-COA HYDRATASE user 4 3 RMSD = 1.29 A TRANSFORM 0.2834 -0.0578 0.9573 0.4487 0.8902 -0.0791 0.8476 -0.4519 -0.2782 55.565 95.883 134.270 B 141 GLY B 95 GLY^? B 144 GLU B 99 GLU^? B 164 GLU B 68 GLU.? ULMNm 3 1dub_c13 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.29 A TRANSFORM 0.0523 0.9973 0.0507 0.9856 -0.0597 0.1580 -0.1606 -0.0417 0.9861 79.384 73.248 147.718 B 141 GLY A 95 GLY^? B 144 GLU A 99 GLU^? B 164 GLU A 68 GLU.? ULMNm 3 1knp_c00 L-ASPARTATE OXIDASE user 4 3 RMSD = 1.30 A TRANSFORM -0.0582 -0.6353 -0.7701 -0.4486 0.7058 -0.5483 -0.8918 -0.3135 0.3261 88.177 64.676 175.636 A 290 ARG B 127 ARG^? A 351 HIS B 89 HIS^? A 386 LEU B 137 LEU^? ULMNm 3 1knp_c00 L-ASPARTATE OXIDASE user 6 3 RMSD = 1.30 A TRANSFORM -0.8696 0.2414 -0.4307 -0.4885 -0.2940 0.8216 -0.0717 -0.9248 -0.3736 110.807 42.268 158.899 A 290 ARG C 127 ARG^? A 351 HIS C 89 HIS^? A 386 LEU C 137 LEU^? ULMNm 3 1gal_c00 GLUCOSE OXIDASE (E.C.1.1.3.4) user 1 3 RMSD = 1.30 A TRANSFORM -0.4207 -0.2066 -0.8834 -0.0458 -0.9676 0.2481 0.9060 -0.1449 -0.3976 79.172 26.969 21.337 412 GLU A 71 GLU^? 516 HIS B 89 HIS^? 559 HIS B 91 HIS^? ULMNm 3 1aql_c02 BILE-SALT ACTIVATED LIPASE user 8 3 RMSD = 1.30 A TRANSFORM -0.8111 0.4163 -0.4110 -0.3373 0.2411 0.9100 -0.4779 -0.8767 0.0551 85.433 28.656 71.060 A 194 SER A 76 SER^? A 292 ASP A 83 ASP.? A 322 HIS C 91 HIS^? ULMNm 3 1dub_c15 2-ENOYL-COA HYDRATASE user 4 3 RMSD = 1.30 A TRANSFORM -0.5191 0.7316 0.4418 -0.4773 -0.6770 0.5602 -0.7090 -0.0800 -0.7006 87.505 86.596 174.572 D 141 GLY B 95 GLY^? D 144 GLU B 99 GLU^? D 164 GLU B 68 GLU.? ULMNm 3 1aql_c02 BILE-SALT ACTIVATED LIPASE user 19 3 RMSD = 1.31 A TRANSFORM -0.5452 -0.6654 0.5099 0.7763 -0.6304 0.0074 -0.3165 -0.3998 -0.8602 60.146 5.361 81.277 A 194 SER B 76 SER^? A 292 ASP B 83 ASP.? A 322 HIS A 91 HIS^? ULMNm 3 1aql_c02 BILE-SALT ACTIVATED LIPASE user 31 3 RMSD = 1.31 A TRANSFORM 0.1419 -0.6204 -0.7714 0.1085 0.7843 -0.6108 -0.9839 -0.0030 -0.1786 58.174 39.408 93.006 A 194 SER C 76 SER^? A 292 ASP C 83 ASP.? A 322 HIS B 91 HIS^? ULMNm 3 1vzx_c03 2.04.01.0087 user 8 3 RMSD = 1.31 A TRANSFORM -0.0023 -0.9345 0.3561 0.2946 0.3396 0.8932 0.9556 -0.1070 -0.2745 6.982 -35.637 -29.844 B1314 TYR C 54 TYR^? B1317 GLU B 71 GLU^? B1365 ARG C 127 ARG^? ULMNm 3 1gal_c00 GLUCOSE OXIDASE (E.C.1.1.3.4) user 9 3 RMSD = 1.31 A TRANSFORM -0.3272 -0.9376 -0.1177 -0.9294 0.2968 0.2196 0.1709 -0.1812 0.9685 62.586 58.287 23.231 412 GLU C 71 GLU^? 516 HIS A 89 HIS^? 559 HIS A 91 HIS^? ULMNm 3 1dub_c15 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.31 A TRANSFORM 0.5334 0.2468 -0.8090 -0.7848 0.5011 -0.3646 -0.3154 -0.8294 -0.4610 72.384 113.146 156.517 D 141 GLY A 95 GLY^? D 144 GLU A 99 GLU^? D 164 GLU A 68 GLU.? ULMNm 3 1dub_c14 2-ENOYL-COA HYDRATASE user 4 3 RMSD = 1.31 A TRANSFORM 0.3699 -0.7395 -0.5624 0.5066 0.6680 -0.5451 -0.7788 0.0833 -0.6217 63.011 97.326 176.852 C 141 GLY B 95 GLY^? C 144 GLU B 99 GLU^? C 164 GLU B 68 GLU.? ULMNm 3 1dub_c17 2-ENOYL-COA HYDRATASE user 4 3 RMSD = 1.31 A TRANSFORM -0.1451 -0.0020 -0.9894 -0.4407 -0.8952 0.0664 0.8859 -0.4456 -0.1290 87.025 89.318 131.907 F 141 GLY B 95 GLY^? F 144 GLU B 99 GLU^? F 164 GLU B 68 GLU.? ULMNm 3 1dub_c13 2-ENOYL-COA HYDRATASE user 6 3 RMSD = 1.32 A TRANSFORM 0.9454 -0.0356 -0.3241 0.3132 0.3745 0.8727 -0.0903 0.9265 -0.3652 54.852 84.064 168.572 B 141 GLY C 95 GLY^? B 144 GLU C 99 GLU^? B 164 GLU C 68 GLU.? ULMNm 3 1aql_c02 BILE-SALT ACTIVATED LIPASE user 5 3 RMSD = 1.32 A TRANSFORM 0.3233 -0.1047 0.9405 -0.8609 -0.4450 0.2464 -0.3928 0.8894 0.2340 -1.622 76.759 47.837 A 194 SER A 76 SER^? A 292 ASP A 17 ASP.? A 322 HIS C 91 HIS^? ULMNm 3 1aql_c02 BILE-SALT ACTIVATED LIPASE user 15 3 RMSD = 1.32 A TRANSFORM 0.5689 0.3793 -0.7297 0.1026 -0.9131 -0.3946 0.8160 -0.1496 0.5584 26.568 48.379 -8.758 A 194 SER B 74 SER^? A 292 ASP C 130 ASP.? A 322 HIS A 91 HIS^? ULMNm 3 1dub_c17 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.32 A TRANSFORM -0.0652 -0.9926 0.1029 -0.9880 0.0498 -0.1459 -0.1397 0.1112 0.9839 65.295 111.888 148.593 F 141 GLY A 95 GLY^? F 144 GLU A 99 GLU^? F 164 GLU A 68 GLU.? ULMNm 3 1dub_c14 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.32 A TRANSFORM -0.5908 -0.3964 0.7028 0.7861 -0.4790 0.3907 -0.1818 -0.7832 -0.5945 74.644 71.570 155.373 C 141 GLY A 95 GLY^? C 144 GLU A 99 GLU^? C 164 GLU A 68 GLU.? ULMNm 3 1aql_c02 BILE-SALT ACTIVATED LIPASE user 28 3 RMSD = 1.32 A TRANSFORM 0.0139 0.9956 0.0926 -0.7084 0.0752 -0.7018 0.7057 0.0559 -0.7063 23.775 87.828 25.849 A 194 SER C 76 SER^? A 292 ASP C 17 ASP.? A 322 HIS B 91 HIS^? ULMNm 3 1aql_c02 BILE-SALT ACTIVATED LIPASE user 25 3 RMSD = 1.32 A TRANSFORM -0.3980 0.7336 0.5508 -0.5362 0.3011 -0.7885 0.7444 0.6092 -0.2735 38.334 77.450 8.044 A 194 SER C 74 SER^? A 292 ASP A 130 ASP.? A 322 HIS B 91 HIS^? ULMNm 3 1aql_c02 BILE-SALT ACTIVATED LIPASE user 17 3 RMSD = 1.33 A TRANSFORM 0.9436 0.0116 -0.3309 -0.1624 -0.8546 -0.4932 0.2885 -0.5191 0.8046 -1.341 65.096 14.241 A 194 SER B 76 SER^? A 292 ASP B 17 ASP.? A 322 HIS A 91 HIS^? ULMNm 3 1vzx_c02 2.04.01.0087 user 2 3 RMSD = 1.33 A TRANSFORM -0.1175 0.0313 0.9926 0.9898 0.0854 0.1145 0.0811 -0.9959 0.0410 -10.785 -48.910 43.101 A 314 TYR A 54 TYR^? A 317 GLU C 71 GLU^? A 365 ARG A 127 ARG^? ULMNm 3 1vzx_c02 2.04.01.0087 user 6 3 RMSD = 1.33 A TRANSFORM 0.8779 -0.4278 -0.2151 0.4478 0.8926 0.0525 -0.1695 0.1424 -0.9752 -24.759 -28.897 69.440 A 314 TYR B 54 TYR^? A 317 GLU A 71 GLU^? A 365 ARG B 127 ARG^? ULMNm 3 1dub_c15 2-ENOYL-COA HYDRATASE user 6 3 RMSD = 1.34 A TRANSFORM 0.4222 -0.6932 0.5841 0.1680 -0.5734 -0.8019 -0.8908 -0.4367 0.1256 52.151 87.807 166.429 D 141 GLY C 95 GLY^? D 144 GLU C 99 GLU^? D 164 GLU C 68 GLU.? ULMNm 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 5 3 RMSD = 1.34 A TRANSFORM 0.9299 0.0851 0.3579 -0.2724 -0.4943 0.8255 -0.2472 0.8651 0.4364 -3.672 72.121 15.525 229 ASP B 17 ASP.? 264 GLU C 126 GLU.? 328 ASP C 130 ASP.? ULMNm 3 1aql_c03 BILE-SALT ACTIVATED LIPASE user 29 3 RMSD = 1.34 A TRANSFORM 0.2525 0.4134 0.8748 0.8437 -0.5367 0.0102 -0.4737 -0.7355 0.4843 0.787 32.677 35.979 B 194 SER C 74 SER^? B 292 ASP A 21 ASP~? B 322 HIS C 89 HIS^? ULMNm 3 1dub_c17 2-ENOYL-COA HYDRATASE user 6 3 RMSD = 1.34 A TRANSFORM -0.9441 0.1813 0.2754 -0.3244 -0.3622 -0.8738 0.0586 0.9143 -0.4008 92.812 101.610 165.580 F 141 GLY C 95 GLY^? F 144 GLU C 99 GLU^? F 164 GLU C 68 GLU.? ULMNm 3 1aql_c03 BILE-SALT ACTIVATED LIPASE user 17 3 RMSD = 1.34 A TRANSFORM 0.4753 0.8715 -0.1205 -0.2244 0.2525 0.9412 -0.8507 0.4204 -0.3156 10.197 53.849 62.946 B 194 SER B 74 SER^? B 292 ASP C 21 ASP~? B 322 HIS B 89 HIS^? ULMNm 3 1dub_c14 2-ENOYL-COA HYDRATASE user 6 3 RMSD = 1.35 A TRANSFORM -0.5832 0.5917 -0.5566 -0.1468 0.5972 0.7886 -0.7990 -0.5416 0.2614 96.178 96.901 162.073 C 141 GLY C 95 GLY^? C 144 GLU C 99 GLU^? C 164 GLU C 68 GLU.? ULMNm 3 1aql_c03 BILE-SALT ACTIVATED LIPASE user 4 3 RMSD = 1.35 A TRANSFORM 0.9783 -0.0781 0.1918 0.1678 0.8415 -0.5135 0.1213 -0.5346 -0.8364 -12.731 65.199 37.886 B 194 SER A 74 SER^? B 292 ASP B 21 ASP~? B 322 HIS A 89 HIS^? ULMNm 3 1vzx_c02 2.04.01.0087 user 10 3 RMSD = 1.35 A TRANSFORM -0.0020 0.9308 -0.3655 0.4042 0.3351 0.8511 -0.9147 0.1460 0.3768 8.665 -41.206 72.162 A 314 TYR C 54 TYR^? A 317 GLU B 71 GLU^? A 365 ARG C 127 ARG^? ULMNm 3 1dub_c16 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.35 A TRANSFORM 0.9769 0.0627 0.2044 -0.0343 -0.8977 0.4392 -0.2110 0.4360 0.8748 52.216 76.812 152.516 E 141 GLY B 95 GLY^? E 144 GLU B 99 GLU^? E 164 GLU B 68 GLU.? ULMNm 3 1knp_c00 L-ASPARTATE OXIDASE user 1 3 RMSD = 1.35 A TRANSFORM -0.7892 -0.5983 -0.1385 0.4824 -0.4644 -0.7427 -0.3800 0.6530 -0.6551 109.243 37.818 168.745 A 290 ARG A 127 ARG^? A 351 HIS A 89 HIS^? A 386 LEU A 135 LEU.? ULMNm 3 1pyl_c01 RIBONUCLEASE user 3 3 RMSD = 1.36 A TRANSFORM 0.4704 0.5724 0.6717 0.4140 -0.8153 0.4048 -0.7793 -0.0877 0.6205 -12.211 -40.652 39.778 B 56 GLU C 114 GLU^? B 67 ARG A 127 ARG^? B 86 HIS A 104 HIS^? ULMNm 3 1pyl_c01 RIBONUCLEASE user 1 3 RMSD = 1.36 A TRANSFORM 0.9010 0.1870 0.3915 0.3209 0.3201 -0.8914 0.2921 -0.9287 -0.2284 -22.408 -14.904 17.071 B 56 GLU A 114 GLU^? B 67 ARG B 127 ARG^? B 86 HIS B 104 HIS^? ULMNm 3 1dub_c16 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.36 A TRANSFORM 0.3765 0.4082 0.8316 -0.8536 0.5017 0.1402 0.3600 0.7627 -0.5373 62.548 110.467 157.029 E 141 GLY A 95 GLY^? E 144 GLU A 99 GLU^? E 164 GLU A 68 GLU.? ULMNm 3 1pyl_c01 RIBONUCLEASE user 2 3 RMSD = 1.36 A TRANSFORM 0.7004 0.7091 0.0812 -0.6286 0.5590 0.5407 -0.3380 0.4298 -0.8373 -10.030 -6.692 49.470 B 56 GLU B 114 GLU^? B 67 ARG C 127 ARG^? B 86 HIS C 104 HIS^? ULMNm 3 1bfd_c00 BENZOYLFORMATE DECARBOXYLASE user 4 3 RMSD = 1.36 A TRANSFORM -0.3219 0.9055 -0.2766 -0.4105 -0.3968 -0.8210 0.8531 0.1507 -0.4994 93.406 92.907 118.179 28 GLU C 114 GLU^? 70 HIS A 89 HIS^? 281 HIS B 36 HIS.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 10 3 RMSD = 1.36 A TRANSFORM 0.7413 -0.5053 -0.4418 0.6222 0.2704 0.7346 0.2517 0.8195 -0.5149 -20.321 -29.660 2.174 141 ASP C 97 ASP.? 166 GLY B 95 GLY^? 169 GLU B 68 GLU.? ULMNm 3 1dub_c16 2-ENOYL-COA HYDRATASE user 4 3 RMSD = 1.38 A TRANSFORM 0.5261 0.8504 -0.0073 0.1459 -0.0987 -0.9844 0.8378 -0.5168 0.1760 71.728 95.354 128.116 E 141 GLY C 95 GLY^? E 144 GLU C 99 GLU^? E 164 GLU C 68 GLU.? ULMNm 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 7 3 RMSD = 1.38 A TRANSFORM 0.6383 0.7696 -0.0159 0.5527 -0.4726 -0.6864 0.5358 -0.4293 0.7270 13.585 69.395 -17.140 229 ASP C 17 ASP.? 264 GLU A 126 GLU.? 328 ASP A 130 ASP.? ULMNm 3 1bfd_c00 BENZOYLFORMATE DECARBOXYLASE user 1 3 RMSD = 1.38 A TRANSFORM -0.1446 -0.2897 0.9461 -0.9797 -0.0922 -0.1780 -0.1388 0.9527 0.2705 66.064 101.670 139.486 28 GLU A 114 GLU^? 70 HIS B 89 HIS^? 281 HIS C 36 HIS.? ULMNm 3 3gxq_d00 DNA BINDING PROTEIN/DNA user 1 3 RMSD = 1.39 A TRANSFORM -0.6622 -0.4087 -0.6281 0.2838 -0.9125 0.2945 0.6935 -0.0168 -0.7203 50.469 -14.254 -10.857 A 18 SER A 41 SER^? A 20 HIS A 39 HIS^? A 22 LEU A 120 LEU.? ULMNm 3 1bfd_c00 BENZOYLFORMATE DECARBOXYLASE user 3 3 RMSD = 1.39 A TRANSFORM 0.7489 -0.4163 -0.5156 -0.5063 -0.8614 -0.0399 0.4276 -0.2909 0.8559 60.156 82.653 109.498 28 GLU B 114 GLU^? 70 HIS C 89 HIS^? 281 HIS A 36 HIS.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 2 3 RMSD = 1.39 A TRANSFORM -0.2715 0.8914 -0.3629 0.9462 0.3162 0.0690 -0.1763 0.3246 0.9293 13.588 -29.553 -8.094 141 ASP A 97 ASP.? 166 GLY C 95 GLY^? 169 GLU C 68 GLU.? ULMNm 3 3gxq_d00 DNA BINDING PROTEIN/DNA user 24 3 RMSD = 1.39 A TRANSFORM -0.6034 -0.7291 -0.3230 -0.7698 0.4268 0.4746 0.2081 -0.5350 0.8188 43.193 19.491 -20.427 A 18 SER C 41 SER^? A 20 HIS C 39 HIS^? A 22 LEU C 120 LEU.? ULMNm 3 3gxq_d00 DNA BINDING PROTEIN/DNA user 13 3 RMSD = 1.40 A TRANSFORM -0.8922 -0.3851 -0.2358 0.1408 0.2590 -0.9556 -0.4291 0.8858 0.1769 51.689 12.254 12.587 A 18 SER B 41 SER^? A 20 HIS B 39 HIS^? A 22 LEU B 120 LEU.? ULMNm 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 2 3 RMSD = 1.40 A TRANSFORM 0.3632 0.5490 0.7528 -0.5563 0.7759 -0.2975 0.7474 0.3107 -0.5872 10.071 101.362 -1.859 229 ASP A 17 ASP.? 264 GLU B 126 GLU.? 328 ASP B 130 ASP.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 5 3 RMSD = 1.40 A TRANSFORM -0.2271 -0.2148 0.9499 0.4603 0.8359 0.2991 0.8582 -0.5051 0.0910 -10.559 -16.477 -29.580 141 ASP B 97 ASP.? 166 GLY A 95 GLY^? 169 GLU A 68 GLU.? ULMNm 3 3gxq_d00 DNA BINDING PROTEIN/DNA user 5 3 RMSD = 1.41 A TRANSFORM -0.7514 -0.6569 -0.0620 0.2185 -0.3364 0.9160 0.6226 -0.6748 -0.3963 42.764 -34.049 -8.464 A 18 SER A 76 SER^? A 20 HIS A 39 HIS^? A 22 LEU A 120 LEU.? ULMNm 3 3gxq_d00 DNA BINDING PROTEIN/DNA user 17 3 RMSD = 1.41 A TRANSFORM -0.4537 -0.6406 -0.6195 0.8357 -0.0645 -0.5453 -0.3093 0.7652 -0.5646 42.009 -30.396 26.986 A 18 SER B 76 SER^? A 20 HIS B 39 HIS^? A 22 LEU B 120 LEU.? ULMNm 3 3gxq_d00 DNA BINDING PROTEIN/DNA user 27 3 RMSD = 1.42 A TRANSFORM -0.8615 -0.1793 -0.4750 -0.2406 0.9680 0.0709 -0.4471 -0.1753 0.8771 53.825 -3.382 7.146 A 18 SER C 76 SER^? A 20 HIS C 39 HIS^? A 22 LEU C 120 LEU.? ULMNm 3 1f6d_c02 UDP-N-ACETYLGLUCOSAMINE 2-EPIMERASE user 1 3 RMSD = 1.42 A TRANSFORM 0.8551 0.4663 0.2267 -0.3702 0.2430 0.8966 -0.3630 0.8506 -0.3804 26.918 62.399 109.673 C 95 ASP A 55 ASP^? C 117 GLU A 57 GLU.? C 131 GLU A 60 GLU^? ULMNm 3 1knp_c00 L-ASPARTATE OXIDASE user 3 3 RMSD = 1.43 A TRANSFORM -0.5585 -0.6351 -0.5336 -0.6336 0.7418 -0.2198 -0.5355 -0.2153 0.8167 107.987 67.658 148.685 A 290 ARG B 127 ARG^? A 351 HIS B 89 HIS^? A 386 LEU B 135 LEU.? ULMNm 3 1j53_c00 DNA POLYMERASE III, EPSILON CHAIN user 4 3 RMSD = 1.43 A TRANSFORM -0.0065 0.4069 -0.9134 0.5218 -0.7778 -0.3502 0.8530 0.4790 0.2073 24.226 24.090 -45.837 A 14 GLU B 71 GLU^? A 61 GLU B 114 GLU^? A 162 HIS C 104 HIS^? ULMNm 3 1f6d_c02 UDP-N-ACETYLGLUCOSAMINE 2-EPIMERASE user 6 3 RMSD = 1.44 A TRANSFORM 0.6919 0.3959 0.6038 0.0966 0.7779 -0.6209 0.7155 -0.4879 -0.5000 25.377 71.745 73.716 C 95 ASP C 55 ASP^? C 117 GLU C 57 GLU.? C 131 GLU C 60 GLU^? ULMNm 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 3 3 RMSD = 1.44 A TRANSFORM 0.0863 -0.5366 -0.8394 0.1832 -0.8197 0.5428 0.9793 0.2006 -0.0276 87.327 74.617 5.302 229 ASP B 17 ASP.? 264 GLU B 71 GLU^? 328 ASP C 130 ASP.? ULMNm 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 8 3 RMSD = 1.45 A TRANSFORM -0.8671 0.3896 -0.3102 0.3631 0.0681 -0.9293 0.3410 0.9184 0.2005 111.554 93.813 23.779 229 ASP C 17 ASP.? 264 GLU C 71 GLU^? 328 ASP A 130 ASP.? ULMNm 3 1j53_c00 DNA POLYMERASE III, EPSILON CHAIN user 1 3 RMSD = 1.45 A TRANSFORM 0.3838 -0.9189 0.0907 -0.5635 -0.1553 0.8114 0.7315 0.3625 0.5775 -6.787 41.961 -47.947 A 14 GLU A 71 GLU^? A 61 GLU A 114 GLU^? A 162 HIS B 104 HIS^? ULMNm 3 1bhg_c02 BETA-GLUCURONIDASE user 1 3 RMSD = 1.45 A TRANSFORM 0.3966 0.8224 0.4078 0.5094 0.1724 -0.8431 0.7637 -0.5421 0.3505 59.245 69.289 58.545 A 451 GLU A 68 GLU.? A 504 TYR A 101 TYR^? A 540 GLU A 99 GLU^? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 9 3 RMSD = 1.46 A TRANSFORM -0.1534 -0.0531 -0.9867 0.9085 -0.4004 -0.1197 0.3887 0.9148 -0.1097 24.944 -43.789 100.357 C 70 ALA B 128 ALA^? C 126 LEU B 139 LEU.? C 158 GLU B 126 GLU.? ULMNm 3 1knp_c00 L-ASPARTATE OXIDASE user 5 3 RMSD = 1.46 A TRANSFORM -0.8238 -0.3015 -0.4801 -0.2401 -0.5816 0.7772 0.5135 -0.7555 -0.4067 116.275 36.533 133.186 A 290 ARG C 127 ARG^? A 351 HIS C 89 HIS^? A 386 LEU C 135 LEU.? ULMNm 3 1lcb_c00 THYMIDYLATE SYNTHASE user 4 3 RMSD = 1.46 A TRANSFORM -0.3614 -0.8205 -0.4429 -0.8918 0.1656 0.4210 0.2721 -0.5471 0.7916 54.544 68.259 -82.342 198 CYH B 113 CYH^? 229 ASN C 78 ASN^? 232 SER C 80 SER^? ULMNm 3 1j70_c01 ATP SULPHURYLASE user 3 3 RMSD = 1.47 A TRANSFORM 0.5473 -0.8367 0.0218 -0.6572 -0.4458 -0.6077 -0.5182 -0.3182 0.7938 -24.482 164.645 21.980 B 197 ARG B 15 ARG^? B 201 HIS C 91 HIS^? B 204 HIS C 89 HIS^? ULMNm 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 1 3 RMSD = 1.47 A TRANSFORM -0.4893 -0.7711 -0.4075 -0.8721 0.4358 0.2226 -0.0060 -0.4643 0.8857 90.173 123.478 48.410 229 ASP A 17 ASP.? 264 GLU B 57 GLU.? 328 ASP B 130 ASP.? ULMNm 3 1f6d_c02 UDP-N-ACETYLGLUCOSAMINE 2-EPIMERASE user 4 3 RMSD = 1.47 A TRANSFORM 0.6096 0.6877 0.3943 0.7501 -0.6613 -0.0063 -0.2565 -0.2996 0.9189 32.827 38.684 83.358 C 95 ASP B 55 ASP^? C 117 GLU B 57 GLU.? C 131 GLU B 60 GLU^? ULMNm 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 4 3 RMSD = 1.47 A TRANSFORM -0.7157 -0.2702 -0.6440 0.0194 -0.9295 0.3684 0.6981 -0.2512 -0.6705 102.090 89.753 50.726 229 ASP B 17 ASP.? 264 GLU C 57 GLU.? 328 ASP C 130 ASP.? ULMNm 3 1luc_c00 BACTERIAL LUCIFERASE user 31 3 RMSD = 1.47 A TRANSFORM 0.0152 -0.1262 -0.9919 0.8883 0.4571 -0.0445 -0.4590 0.8804 -0.1191 82.207 -37.355 47.058 A 44 HIS C 91 HIS^? A 45 HIS C 104 HIS^? A 261 PHE B 111 PHE^? ULMNm 3 1bhg_c02 BETA-GLUCURONIDASE user 2 3 RMSD = 1.47 A TRANSFORM 0.6917 0.2063 0.6921 -0.5810 0.7281 0.3637 0.4289 0.6537 -0.6235 43.797 86.554 87.023 A 451 GLU B 68 GLU.? A 504 TYR B 101 TYR^? A 540 GLU B 99 GLU^? ULMNm 3 1j70_c01 ATP SULPHURYLASE user 1 3 RMSD = 1.48 A TRANSFORM -0.6042 0.2151 0.7673 -0.6441 -0.6986 -0.3114 -0.4691 0.6824 -0.5606 2.866 159.002 43.501 B 197 ARG A 15 ARG^? B 201 HIS B 91 HIS^? B 204 HIS B 89 HIS^? ULMNm 3 1j53_c00 DNA POLYMERASE III, EPSILON CHAIN user 8 3 RMSD = 1.48 A TRANSFORM -0.7456 0.2379 0.6225 -0.3371 0.6711 -0.6602 0.5749 0.7021 0.4202 23.536 59.573 -39.656 A 14 GLU C 71 GLU^? A 61 GLU C 114 GLU^? A 162 HIS A 104 HIS^? ULMNm 3 1amy_c01 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 9 3 RMSD = 1.48 A TRANSFORM 0.1383 -0.0974 -0.9856 0.9782 -0.1425 0.1513 0.1552 0.9850 -0.0755 26.302 1.616 31.835 179 ASP C 17 ASP.? 214 ASP A 21 ASP~? 289 ASP A 130 ASP.? ULMNm 3 1aql_c02 BILE-SALT ACTIVATED LIPASE user 13 3 RMSD = 1.48 A TRANSFORM -0.6654 0.7458 -0.0315 0.3104 0.2381 -0.9203 0.6789 0.6222 0.3899 58.351 40.898 -4.870 A 194 SER B 74 SER^? A 292 ASP C 21 ASP~? A 322 HIS B 89 HIS^? ULMNm 3 1j70_c01 ATP SULPHURYLASE user 7 3 RMSD = 1.48 A TRANSFORM -0.0032 0.5772 -0.8166 -0.8718 -0.4016 -0.2805 0.4898 -0.7110 -0.5045 9.420 166.337 8.995 B 197 ARG C 15 ARG^? B 201 HIS A 91 HIS^? B 204 HIS A 89 HIS^? ULMNm 3 1bhg_c02 BETA-GLUCURONIDASE user 3 3 RMSD = 1.48 A TRANSFORM 0.9095 0.4126 -0.0502 0.3543 -0.7065 0.6127 -0.2173 0.5751 0.7887 49.471 49.555 85.122 A 451 GLU C 68 GLU.? A 504 TYR C 101 TYR^? A 540 GLU C 99 GLU^? ULMNm 3 1aql_c02 BILE-SALT ACTIVATED LIPASE user 23 3 RMSD = 1.48 A TRANSFORM -0.0765 -0.6801 0.7291 -0.6811 0.5697 0.4600 0.7282 0.4614 0.5068 24.674 51.641 -8.601 A 194 SER C 74 SER^? A 292 ASP A 21 ASP~? A 322 HIS C 89 HIS^? ULMNm 3 1j70_c02 ATP SULPHURYLASE user 5 3 RMSD = 1.48 A TRANSFORM 0.5697 0.5899 0.5722 -0.6640 0.7407 -0.1025 0.4843 0.3216 -0.8137 -26.929 29.773 23.339 C 197 ARG B 15 ARG^? C 201 HIS C 91 HIS^? C 204 HIS C 89 HIS^? ULMNm 3 1luc_c00 BACTERIAL LUCIFERASE user 19 3 RMSD = 1.48 A TRANSFORM -0.1174 -0.9454 0.3041 0.7192 0.1302 0.6825 0.6848 -0.2989 -0.6646 64.465 -43.982 16.572 A 44 HIS B 91 HIS^? A 45 HIS B 104 HIS^? A 261 PHE A 111 PHE^? ULMNm 3 1aql_c02 BILE-SALT ACTIVATED LIPASE user 3 3 RMSD = 1.49 A TRANSFORM 0.4895 -0.2429 -0.8375 0.3244 -0.8408 0.4335 0.8094 0.4838 0.3327 31.836 17.092 -8.399 A 194 SER A 74 SER^? A 292 ASP B 21 ASP~? A 322 HIS A 89 HIS^? ULMNm 3 1j70_c02 ATP SULPHURYLASE user 1 3 RMSD = 1.49 A TRANSFORM 0.7504 0.6321 0.1930 0.4740 -0.3112 -0.8237 0.4606 -0.7096 0.5331 -26.620 2.464 1.062 C 197 ARG A 15 ARG^? C 201 HIS B 91 HIS^? C 204 HIS B 89 HIS^? ULMNm 3 1amy_c01 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 7 3 RMSD = 1.49 A TRANSFORM -0.0453 -0.9141 0.4029 0.1852 0.3887 0.9026 0.9816 -0.1155 -0.1517 8.701 16.381 4.185 179 ASP B 17 ASP.? 214 ASP C 21 ASP~? 289 ASP C 130 ASP.? ULMNm 3 1j70_c02 ATP SULPHURYLASE user 9 3 RMSD = 1.49 A TRANSFORM 0.8453 0.3183 0.4290 -0.1305 -0.6556 0.7437 -0.5180 0.6847 0.5127 -33.961 -3.699 35.630 C 197 ARG C 15 ARG^? C 201 HIS A 91 HIS^? C 204 HIS A 89 HIS^? ULMNm 3 1lcb_c00 THYMIDYLATE SYNTHASE user 6 3 RMSD = 1.49 A TRANSFORM -0.7200 -0.1269 -0.6823 0.1282 -0.9905 0.0490 0.6821 0.0522 -0.7294 71.245 39.178 -70.253 198 CYH C 113 CYH^? 229 ASN A 78 ASN^? 232 SER A 80 SER^? ULMNm 3 1luc_c00 BACTERIAL LUCIFERASE user 9 3 RMSD = 1.49 A TRANSFORM -0.9383 0.3267 0.1131 0.3410 0.8200 0.4598 -0.0575 -0.4700 0.8808 96.566 -26.605 15.802 A 44 HIS A 91 HIS^? A 45 HIS A 104 HIS^? A 261 PHE C 111 PHE^? ULMNm 3 1amy_c01 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 3 3 RMSD = 1.49 A TRANSFORM -0.8780 0.4549 0.1490 0.4297 0.8862 -0.1731 0.2108 0.0879 0.9736 42.144 26.392 11.815 179 ASP A 17 ASP.? 214 ASP B 21 ASP~? 289 ASP B 130 ASP.? ULMNm 3 1lcb_c00 THYMIDYLATE SYNTHASE user 2 3 RMSD = 1.50 A TRANSFORM -0.8946 -0.4455 0.0364 -0.1321 0.1857 -0.9737 -0.4270 0.8758 0.2249 64.865 65.764 -48.147 198 CYH A 113 CYH^? 229 ASN B 78 ASN^? 232 SER B 80 SER^? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 4 3 RMSD = 1.50 A TRANSFORM -0.0874 -0.9936 0.0711 -0.0757 0.0778 0.9941 0.9933 -0.0815 0.0820 4.221 -29.097 75.969 C 70 ALA A 128 ALA^? C 126 LEU A 139 LEU.? C 158 GLU A 126 GLU.?