*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1qrz_c21 PLASMINOGEN user 9 3 RMSD = 0.75 A TRANSFORM 0.5468 0.5332 -0.6455 -0.0288 0.7825 0.6220 -0.8368 0.3216 -0.4432 -81.349 -49.857 37.612 B 603 HIS B 89 HIS^? B 646 ASP B 69 ASP.? B 739 GLY A 28 GLY^? ULMNm 3 1qrz_c22 PLASMINOGEN user 9 3 RMSD = 0.77 A TRANSFORM 0.9651 -0.1128 0.2365 0.0479 -0.8115 -0.5824 -0.2576 -0.5734 0.7777 -49.969 42.709 24.515 C 603 HIS B 89 HIS^? C 646 ASP B 69 ASP.? C 739 GLY A 28 GLY^? ULMNm 3 1xny_c00 PROPIONYL-COA CARBOXYLASE COMPLEX B user 3 3 RMSD = 0.78 A TRANSFORM -0.2605 -0.2852 -0.9224 0.3188 -0.9272 0.1967 0.9113 0.2428 -0.3324 55.167 -44.371 -174.872 A 183 GLY B 10 GLY.? B 419 GLY A 78 GLY.? B 420 ALA A 77 ALA.? ULMNm 3 1xny_c00 PROPIONYL-COA CARBOXYLASE COMPLEX B user 1 3 RMSD = 0.80 A TRANSFORM 0.2215 0.9463 0.2353 -0.3309 -0.1541 0.9310 -0.9173 0.2841 -0.2790 -36.219 -53.030 -84.041 A 183 GLY A 10 GLY.? B 419 GLY B 78 GLY.? B 420 ALA B 77 ALA.? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 5 3 RMSD = 0.83 A TRANSFORM -0.0861 -0.9935 -0.0750 0.7946 -0.1139 0.5963 0.6010 0.0083 -0.7992 99.890 -141.327 -142.764 A 420 ALA B 44 ALA.? B 182 GLY B 97 GLY^? B 183 GLY B 96 GLY.? ULMNm 3 1qrz_c20 PLASMINOGEN user 11 3 RMSD = 0.83 A TRANSFORM 0.5345 0.4960 -0.6843 -0.0423 0.8244 0.5645 -0.8441 0.2728 -0.4616 -50.225 -49.302 79.027 A 603 HIS B 89 HIS^? A 646 ASP B 69 ASP.? A 739 GLY A 28 GLY^? ULMNm 3 1qrz_c23 PLASMINOGEN user 11 3 RMSD = 0.88 A TRANSFORM 0.9703 -0.1451 0.1933 0.0049 -0.7878 -0.6159 -0.2417 -0.5986 0.7637 -101.601 45.170 63.442 D 603 HIS B 89 HIS^? D 646 ASP B 69 ASP.? D 739 GLY A 28 GLY^? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 2 3 RMSD = 0.88 A TRANSFORM 0.0504 0.1446 0.9882 -0.7867 -0.6039 0.1285 -0.6153 0.7839 -0.0833 31.485 -34.664 -123.432 A 420 ALA A 44 ALA^? B 182 GLY A 97 GLY^? B 183 GLY A 96 GLY.? ULMNm 3 1qrz_c21 PLASMINOGEN user 5 3 RMSD = 0.93 A TRANSFORM -0.5993 0.5985 -0.5317 -0.0187 -0.6745 -0.7381 0.8003 0.4324 -0.4154 -27.161 28.065 -51.110 B 603 HIS A 89 HIS^? B 646 ASP A 69 ASP.? B 739 GLY B 28 GLY^? ULMNm 3 1qrz_c22 PLASMINOGEN user 5 3 RMSD = 0.95 A TRANSFORM -0.9485 -0.2425 0.2039 0.0029 0.6368 0.7711 0.3168 -0.7319 0.6033 53.674 -32.968 4.238 C 603 HIS A 89 HIS^? C 646 ASP A 69 ASP.? C 739 GLY B 28 GLY^? ULMNm 3 1j70_c01 ATP SULPHURYLASE user 2 3 RMSD = 0.98 A TRANSFORM -0.2553 -0.8334 -0.4902 -0.3576 -0.3896 0.8487 0.8983 -0.3919 0.1986 31.643 130.520 -18.574 B 197 ARG A 24 ARG^? B 201 HIS A 51 HIS.? B 204 HIS A 49 HIS^? ULMNm 3 1j70_c02 ATP SULPHURYLASE user 2 3 RMSD = 1.02 A TRANSFORM 0.3717 0.5353 -0.7585 0.2106 0.7471 0.6305 -0.9041 0.3941 -0.1650 -1.748 -32.129 61.679 C 197 ARG A 24 ARG^? C 201 HIS A 51 HIS.? C 204 HIS A 49 HIS^? ULMNm 3 1j70_c00 ATP SULPHURYLASE user 2 3 RMSD = 1.03 A TRANSFORM -0.4122 -0.8848 0.2174 0.0673 -0.2675 -0.9612 -0.9086 0.3816 -0.1698 20.581 157.577 35.648 A 197 ARG A 24 ARG^? A 201 HIS A 51 HIS.? A 204 HIS A 49 HIS^? ULMNm 3 1qrz_c20 PLASMINOGEN user 5 3 RMSD = 1.04 A TRANSFORM -0.5848 0.6401 -0.4982 -0.0100 -0.6198 -0.7847 0.8111 0.4539 -0.3689 -1.631 26.792 -14.399 A 603 HIS A 89 HIS^? A 646 ASP A 69 ASP.? A 739 GLY B 28 GLY^? ULMNm 3 1aql_c02 BILE-SALT ACTIVATED LIPASE user 4 3 RMSD = 1.07 A TRANSFORM 0.6329 -0.7146 -0.2978 0.0089 0.3914 -0.9202 -0.7742 -0.5797 -0.2541 31.748 30.792 101.209 A 194 SER A 57 SER^? A 292 ASP B 109 ASP~? A 322 HIS A 65 HIS^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 5 3 RMSD = 1.08 A TRANSFORM -0.4614 -0.8015 -0.3804 -0.8871 0.4218 0.1873 -0.0103 -0.4239 0.9056 60.796 28.068 13.001 141 ASP A 79 ASP.? 166 GLY B 97 GLY^? 169 GLU B 63 GLU.? ULMNm 3 1qrz_c23 PLASMINOGEN user 5 3 RMSD = 1.09 A TRANSFORM -0.9522 -0.1973 0.2334 0.0432 0.6691 0.7419 0.3025 -0.7165 0.6286 -1.679 -35.187 42.506 D 603 HIS A 89 HIS^? D 646 ASP A 69 ASP.? D 739 GLY B 28 GLY^? ULMNm 3 1luc_c00 BACTERIAL LUCIFERASE user 22 3 RMSD = 1.09 A TRANSFORM -0.4421 0.8615 -0.2496 -0.7679 -0.5073 -0.3910 0.4635 -0.0188 -0.8859 43.850 70.928 38.763 A 44 HIS B 51 HIS.? A 45 HIS B 86 HIS.? A 261 PHE B 82 PHE^? ULMNm 3 1aql_c02 BILE-SALT ACTIVATED LIPASE user 17 3 RMSD = 1.10 A TRANSFORM -0.6095 0.2932 0.7366 -0.0901 0.8975 -0.4317 0.7877 0.3295 0.5206 39.124 8.197 -26.741 A 194 SER B 57 SER^? A 292 ASP A 109 ASP~? A 322 HIS B 65 HIS^? ULMNm 3 4kbp_c02 PURPLE ACID PHOSPHATASE user 5 3 RMSD = 1.11 A TRANSFORM -0.8960 0.0117 0.4439 0.1778 0.9254 0.3346 0.4069 -0.3788 0.8312 83.733 -26.899 30.545 C 202 HIS B 53 HIS.? C 295 HIS B 49 HIS^? C 296 HIS B 89 HIS^? ULMNm 3 4kbp_c03 PURPLE ACID PHOSPHATASE user 5 3 RMSD = 1.12 A TRANSFORM -0.2784 0.1982 -0.9398 0.1017 0.9791 0.1764 -0.9551 0.0465 0.2927 96.609 69.195 83.425 D 202 HIS B 53 HIS.? D 295 HIS B 49 HIS^? D 296 HIS B 89 HIS^? ULMNm 3 1luc_c00 BACTERIAL LUCIFERASE user 7 3 RMSD = 1.12 A TRANSFORM 0.3749 0.1958 -0.9061 0.7863 0.4506 0.4227 -0.4911 0.8710 -0.0150 38.324 -58.905 38.594 A 44 HIS A 51 HIS.? A 45 HIS A 86 HIS.? A 261 PHE A 82 PHE^? ULMNm 3 4kbp_c00 PURPLE ACID PHOSPHATASE user 5 3 RMSD = 1.12 A TRANSFORM 0.5630 -0.2052 0.8006 -0.1048 -0.9786 -0.1771 -0.8198 -0.0158 0.5724 21.770 109.923 71.325 A 202 HIS B 53 HIS.? A 295 HIS B 49 HIS^? A 296 HIS B 89 HIS^? ULMNm 3 4kbp_c01 PURPLE ACID PHOSPHATASE user 5 3 RMSD = 1.13 A TRANSFORM 0.8956 -0.0163 -0.4445 0.0256 0.9996 0.0149 -0.4441 0.0247 -0.8956 -7.339 -13.187 105.785 B 202 HIS B 53 HIS.? B 295 HIS B 49 HIS^? B 296 HIS B 89 HIS^? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 1 3 RMSD = 1.20 A TRANSFORM 0.0671 0.7697 0.6349 0.4280 0.5526 -0.7152 0.9013 -0.3197 0.2923 10.106 -145.018 -178.859 A 420 ALA A 44 ALA^? B 182 GLY A 19 GLY.? B 183 GLY A 20 GLY.? ULMNm 3 1lio_c01 ADENOSINE KINASE user 3 3 RMSD = 1.20 A TRANSFORM -0.5500 -0.8286 -0.1044 0.8194 -0.5596 0.1245 0.1616 0.0171 -0.9867 87.837 8.272 37.701 A 316 ALA A 77 ALA.? A 317 GLY A 78 GLY.? A 318 ASP A 79 ASP.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 11 3 RMSD = 1.22 A TRANSFORM 0.4837 0.4348 0.7596 0.8752 -0.2281 -0.4267 0.0122 -0.8712 0.4909 -54.423 -26.316 36.257 141 ASP B 79 ASP.? 166 GLY A 97 GLY^? 169 GLU A 63 GLU.? ULMNm 3 1lio_c01 ADENOSINE KINASE user 6 3 RMSD = 1.22 A TRANSFORM 0.5889 0.1703 0.7901 -0.7923 -0.0717 0.6059 -0.1598 0.9828 -0.0927 -23.992 63.373 1.647 A 316 ALA B 77 ALA.? A 317 GLY B 78 GLY.? A 318 ASP B 79 ASP.? ULMNm 3 1lio_c01 ADENOSINE KINASE user 1 3 RMSD = 1.24 A TRANSFORM 0.2928 0.9122 -0.2866 -0.4741 0.3988 0.7850 -0.8304 0.0940 -0.5492 -20.054 39.468 89.193 A 316 ALA A 44 ALA^? A 317 GLY A 21 GLY.? A 318 ASP A 41 ASP.? ULMNm 3 1lio_c01 ADENOSINE KINASE user 4 3 RMSD = 1.24 A TRANSFORM -0.2906 0.1971 -0.9363 0.5807 -0.7414 -0.3363 0.7605 0.6414 -0.1010 48.897 48.640 -22.781 A 316 ALA B 44 ALA.? A 317 GLY B 21 GLY.? A 318 ASP B 41 ASP.? ULMNm 3 1g8f_c00 SULFATE ADENYLYLTRANSFERASE user 2 3 RMSD = 1.24 A TRANSFORM -0.3579 -0.9156 -0.1832 0.2069 0.1136 -0.9717 -0.9106 0.3857 -0.1487 28.260 14.737 84.793 A 197 ARG A 24 ARG^? A 201 HIS A 51 HIS.? A 204 HIS A 49 HIS^? ULMNm 3 1qho_c07 ALPHA-AMYLASE user 6 3 RMSD = 1.25 A TRANSFORM -0.7354 -0.4087 0.5405 0.6614 -0.2593 0.7038 0.1475 -0.8750 -0.4610 70.968 46.737 78.297 A 228 ASP B 41 ASP.? A 260 ASP B 101 ASP^? A 329 ASP B 17 ASP^? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 4 3 RMSD = 1.27 A TRANSFORM 0.0167 -0.7573 -0.6529 -0.4843 0.5652 -0.6679 -0.8748 -0.3273 0.3573 95.136 -98.049 -88.251 A 420 ALA B 44 ALA.? B 182 GLY B 19 GLY.? B 183 GLY B 20 GLY.? ULMNm 3 1aql_c03 BILE-SALT ACTIVATED LIPASE user 4 3 RMSD = 1.28 A TRANSFORM -0.4222 -0.5221 -0.7410 -0.1149 -0.7800 0.6151 0.8992 -0.3448 -0.2694 83.272 94.713 -7.898 B 194 SER A 57 SER^? B 292 ASP B 109 ASP~? B 322 HIS A 65 HIS^? ULMNm 3 1qho_c07 ALPHA-AMYLASE user 2 3 RMSD = 1.28 A TRANSFORM 0.7571 -0.4830 0.4399 -0.6364 -0.6974 0.3295 -0.1477 0.5295 0.8354 -0.669 136.428 17.533 A 228 ASP A 41 ASP.? A 260 ASP A 101 ASP^? A 329 ASP A 17 ASP^? ULMNm 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 2 3 RMSD = 1.28 A TRANSFORM 0.5085 -0.2823 0.8135 0.8563 0.2653 -0.4431 0.0908 -0.9219 -0.3766 28.326 -29.250 42.955 199 ASP A 41 ASP.? 218 GLU A 32 GLU.? 329 ASP A 17 ASP^? ULMNm 3 1lij_c01 ADENOSINE KINASE user 6 3 RMSD = 1.29 A TRANSFORM -0.0597 -0.7384 -0.6717 0.4785 -0.6117 0.6300 0.8761 0.2838 -0.3898 193.511 14.771 -62.284 A 316 ALA B 77 ALA.? A 317 GLY B 78 GLY.? A 318 ASP B 79 ASP.? ULMNm 3 1lij_c01 ADENOSINE KINASE user 3 3 RMSD = 1.29 A TRANSFORM 0.0216 0.7341 0.6787 -0.4532 -0.5979 0.6611 -0.8912 0.3218 -0.3198 109.561 61.224 25.088 A 316 ALA A 77 ALA.? A 317 GLY A 78 GLY.? A 318 ASP A 79 ASP.? ULMNm 3 1aql_c03 BILE-SALT ACTIVATED LIPASE user 18 3 RMSD = 1.29 A TRANSFORM 0.4021 0.7901 0.4627 0.1967 -0.5681 0.7991 -0.8942 0.2303 0.3838 -29.655 67.496 50.749 B 194 SER B 57 SER^? B 292 ASP A 109 ASP~? B 322 HIS B 65 HIS^? ULMNm 3 1be1_c02 GLUTAMATE MUTASE user 17 3 RMSD = 1.29 A TRANSFORM -0.7209 -0.0796 -0.6884 -0.6085 0.5482 0.5738 -0.3317 -0.8325 0.4436 55.042 -21.905 33.726 14 ASP B 88 ASP.? 16 HIS B 89 HIS^? 67 GLY B 19 GLY.? ULMNm 3 1qol_c01 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 3 3 RMSD = 1.29 A TRANSFORM 0.6967 -0.6679 0.2618 0.6572 0.4481 -0.6060 -0.2874 -0.5943 -0.7511 -49.317 -7.643 105.293 B 51 ALA B 106 ALA.? B 148 HIS B 53 HIS.? B 163 ASP B 109 ASP~? ULMNm 3 1lij_c01 ADENOSINE KINASE user 1 3 RMSD = 1.30 A TRANSFORM 0.4986 -0.8121 0.3032 0.7967 0.5672 0.2087 0.3414 -0.1375 -0.9298 139.995 -48.786 -20.494 A 316 ALA A 44 ALA^? A 317 GLY A 21 GLY.? A 318 ASP A 41 ASP.? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 6 3 RMSD = 1.31 A TRANSFORM 0.4612 0.8218 -0.3345 0.8504 -0.3018 0.4310 -0.2533 0.4832 0.8380 -46.842 -59.900 -69.360 B 250 ALA B 77 ALA.? B 251 GLY B 78 GLY.? B 252 ASP B 79 ASP.? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.31 A TRANSFORM -0.3234 -0.0562 -0.9446 0.8000 0.5170 -0.3046 -0.5054 0.8542 0.1222 37.898 -88.125 -45.049 B 250 ALA A 44 ALA^? B 251 GLY A 21 GLY.? B 252 ASP A 41 ASP.? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.31 A TRANSFORM -0.6362 -0.7706 0.0382 0.1682 -0.0902 0.9816 0.7530 -0.6309 -0.1870 90.494 -23.645 -29.525 A 250 ALA A 44 ALA^? A 251 GLY A 21 GLY.? A 252 ASP A 41 ASP.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 6 3 RMSD = 1.32 A TRANSFORM 0.9245 -0.3396 -0.1730 0.0327 0.5229 -0.8518 -0.3797 -0.7819 -0.4945 -29.494 -2.363 54.097 141 ASP A 101 ASP^? 166 GLY B 10 GLY.? 169 GLU B 14 GLU.? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 3 3 RMSD = 1.32 A TRANSFORM -0.4695 0.2409 -0.8494 -0.8315 -0.4443 0.3335 0.2970 -0.8629 -0.4089 31.726 32.986 -24.217 B 250 ALA A 77 ALA.? B 251 GLY A 78 GLY.? B 252 ASP A 79 ASP.? ULMNm 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 2 3 RMSD = 1.32 A TRANSFORM 0.5910 -0.5525 -0.5877 0.4156 0.8330 -0.3652 -0.6913 0.0284 -0.7220 64.920 33.629 79.458 229 ASP B 17 ASP^? 264 GLU B 61 GLU^? 328 ASP B 41 ASP.? ULMNm 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 6 3 RMSD = 1.32 A TRANSFORM -0.4748 -0.8029 0.3605 -0.8786 0.4086 -0.2472 -0.0512 0.4341 0.8994 106.464 50.510 -23.006 199 ASP B 41 ASP.? 218 GLU B 32 GLU.? 329 ASP B 17 ASP^? ULMNm 3 1qol_c01 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 1.32 A TRANSFORM -0.6440 -0.2974 0.7049 -0.7164 0.5578 -0.4191 0.2685 0.7749 0.5723 -3.001 55.380 1.742 B 51 ALA A 106 ALA.? B 148 HIS A 53 HIS.? B 163 ASP A 109 ASP~? ULMNm 3 1lij_c01 ADENOSINE KINASE user 4 3 RMSD = 1.32 A TRANSFORM -0.4881 -0.3153 0.8138 -0.7435 -0.3382 -0.5770 -0.4572 0.8867 0.0694 163.476 79.975 -36.494 A 316 ALA B 44 ALA.? A 317 GLY B 21 GLY.? A 318 ASP B 41 ASP.? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 6 3 RMSD = 1.33 A TRANSFORM -0.5923 0.2954 -0.7497 -0.6295 -0.7504 0.2017 0.5030 -0.5913 -0.6304 54.078 54.299 6.106 A 250 ALA B 77 ALA.? A 251 GLY B 78 GLY.? A 252 ASP B 79 ASP.? ULMNm 3 1j70_c01 ATP SULPHURYLASE user 10 3 RMSD = 1.33 A TRANSFORM 0.3891 0.5940 0.7040 0.2410 -0.8033 0.5446 -0.8891 0.0423 0.4557 -74.502 118.211 50.737 B 197 ARG B 24 ARG^? B 201 HIS B 51 HIS.? B 204 HIS B 49 HIS^? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 3 3 RMSD = 1.33 A TRANSFORM 0.5585 0.7495 -0.3555 0.6316 -0.1065 0.7679 -0.5377 0.6534 0.5329 -28.830 -44.419 -8.709 A 250 ALA A 77 ALA.? A 251 GLY A 78 GLY.? A 252 ASP A 79 ASP.? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 3 3 RMSD = 1.33 A TRANSFORM 0.6427 0.2462 0.7255 0.1137 0.9058 -0.4081 0.7576 -0.3447 -0.5542 -4.845 -143.496 -153.864 A 420 ALA A 77 ALA.? B 182 GLY A 97 GLY^? B 183 GLY A 62 GLY^? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 4 3 RMSD = 1.34 A TRANSFORM 0.2047 0.9788 0.0068 -0.8108 0.1735 -0.5591 0.5484 -0.1089 -0.8291 -46.636 13.038 -46.056 B 250 ALA B 44 ALA.? B 251 GLY B 21 GLY.? B 252 ASP B 41 ASP.? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 4 3 RMSD = 1.35 A TRANSFORM 0.6067 0.0856 0.7903 -0.0514 -0.9879 0.1465 -0.7932 0.1295 0.5950 -20.163 37.573 7.783 A 250 ALA B 44 ALA.? A 251 GLY B 21 GLY.? A 252 ASP B 41 ASP.? ULMNm 3 1qol_c00 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 3 3 RMSD = 1.35 A TRANSFORM -0.6951 0.6575 -0.2906 0.6821 0.4755 -0.5556 0.2271 0.5844 0.7790 17.956 -11.520 -27.016 A 51 ALA B 106 ALA.? A 148 HIS B 53 HIS.? A 163 ASP B 109 ASP~? ULMNm 3 1j70_c01 ATP SULPHURYLASE user 12 3 RMSD = 1.35 A TRANSFORM 0.7828 0.2129 0.5847 -0.2928 -0.7031 0.6480 -0.5491 0.6784 0.4881 -71.184 132.229 9.946 B 197 ARG B 24 ARG^? B 201 HIS B 53 HIS.? B 204 HIS B 51 HIS.? ULMNm 3 1j70_c02 ATP SULPHURYLASE user 10 3 RMSD = 1.36 A TRANSFORM -0.2836 0.6904 -0.6655 -0.3590 -0.7200 -0.5939 0.8892 -0.0705 -0.4520 26.587 71.810 -6.391 C 197 ARG B 24 ARG^? C 201 HIS B 51 HIS.? C 204 HIS B 49 HIS^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 4 3 RMSD = 1.36 A TRANSFORM -0.3904 -0.8191 -0.4203 0.7564 -0.5456 0.3608 0.5249 0.1770 -0.8326 58.526 -8.035 -23.464 141 ASP A 79 ASP.? 166 GLY B 78 GLY.? 169 GLU B 63 GLU.? ULMNm 3 1n2t_c03 L-CYSTEINE-CYSTINE LYASE C-DES user 2 3 RMSD = 1.36 A TRANSFORM 0.2897 0.9539 0.0781 -0.8784 0.2974 -0.3742 0.3802 -0.0398 -0.9240 -87.044 46.606 -14.098 B 114 HIS B 51 HIS.? B 197 ASP B 109 ASP~? B 223 ALA B 35 ALA^? ULMNm 3 1n2t_c02 L-CYSTEINE-CYSTINE LYASE C-DES user 2 3 RMSD = 1.36 A TRANSFORM -0.2848 -0.9542 -0.0915 0.8058 -0.2900 0.5163 0.5192 -0.0733 -0.8515 -6.662 -50.209 -22.472 A 114 HIS B 51 HIS.? A 197 ASP B 109 ASP~? A 223 ALA B 35 ALA^? ULMNm 3 2r11_o03 CARBOXYLESTERASE NP user 2 3 RMSD = 1.36 A TRANSFORM 0.2212 0.6185 -0.7540 -0.8754 -0.2149 -0.4330 0.4298 -0.7559 -0.4939 -54.330 111.711 56.180 D 130 SER A 57 SER^? D 166 PHE A 64 PHE^? D 182 PHE A 40 PHE^? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 6 3 RMSD = 1.36 A TRANSFORM -0.6340 -0.7497 -0.1895 -0.1422 0.3539 -0.9244 -0.7601 0.5592 0.3310 113.974 -100.678 -126.151 A 420 ALA B 77 ALA.? B 182 GLY B 97 GLY^? B 183 GLY B 62 GLY^? ULMNm 3 1j70_c00 ATP SULPHURYLASE user 10 3 RMSD = 1.36 A TRANSFORM 0.4326 -0.1054 0.8954 0.1035 0.9924 0.0669 0.8956 -0.0637 -0.4402 -64.536 93.154 -33.986 A 197 ARG B 24 ARG^? A 201 HIS B 51 HIS.? A 204 HIS B 49 HIS^? ULMNm 3 1j70_c00 ATP SULPHURYLASE user 12 3 RMSD = 1.37 A TRANSFORM 0.3681 -0.3035 0.8788 0.7610 0.6414 -0.0973 0.5342 -0.7046 -0.4671 -53.524 86.123 7.711 A 197 ARG B 24 ARG^? A 201 HIS B 53 HIS.? A 204 HIS B 51 HIS.? ULMNm 3 1hwt_d00 GENE REGULATION/DNA user 1 3 RMSD = 1.37 A TRANSFORM -0.1340 0.0072 0.9909 0.6272 -0.7736 0.0904 -0.7672 -0.6336 -0.0992 20.960 19.209 99.859 C 70 ARG A 24 ARG^? C 71 LYS A 37 LYS^? C 72 VAL A 36 VAL^? ULMNm 3 2r11_o03 CARBOXYLESTERASE NP user 15 3 RMSD = 1.37 A TRANSFORM -0.2852 0.7061 -0.6482 0.8704 0.4739 0.1334 -0.4014 0.5262 0.7497 -33.647 -13.536 28.369 D 130 SER B 57 SER^? D 166 PHE B 64 PHE^? D 182 PHE B 40 PHE^? ULMNm 3 1j70_c00 ATP SULPHURYLASE user 4 3 RMSD = 1.38 A TRANSFORM -0.3346 -0.8632 0.3781 -0.7548 0.0052 -0.6559 -0.5642 0.5048 0.6533 12.592 196.839 -1.071 A 197 ARG A 24 ARG^? A 201 HIS A 53 HIS.? A 204 HIS A 51 HIS.? ULMNm 3 2r11_o01 CARBOXYLESTERASE NP user 3 3 RMSD = 1.38 A TRANSFORM -0.4425 0.0149 0.8967 0.8758 0.2223 0.4285 0.1930 -0.9749 0.1114 -9.818 -10.374 119.125 B 130 SER A 57 SER^? B 166 PHE A 64 PHE^? B 182 PHE A 40 PHE^? ULMNm 3 1qol_c00 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 1.38 A TRANSFORM 0.6413 0.3270 -0.6941 -0.7393 0.5055 -0.4449 -0.2054 -0.7985 -0.5659 -30.340 58.298 71.119 A 51 ALA A 106 ALA.? A 148 HIS A 53 HIS.? A 163 ASP A 109 ASP~? ULMNm 3 1j70_c02 ATP SULPHURYLASE user 12 3 RMSD = 1.38 A TRANSFORM 0.1698 0.6380 -0.7511 -0.8333 -0.3139 -0.4551 0.5261 -0.7032 -0.4783 13.297 70.102 35.012 C 197 ARG B 24 ARG^? C 201 HIS B 53 HIS.? C 204 HIS B 51 HIS.? ULMNm 3 1al6_c00 CITRATE SYNTHASE user 5 3 RMSD = 1.39 A TRANSFORM 0.8745 -0.0062 -0.4850 0.4728 0.2340 0.8496 -0.1083 0.9722 -0.2075 -28.911 -52.491 -12.834 274 HIS A 53 HIS.? 320 HIS A 49 HIS^? 375 ASP A 109 ASP~? ULMNm 3 2vmg_p00 FIBRONECTIN TYPE III DOMAIN PROTEIN user 1 3 RMSD = 1.39 A TRANSFORM 0.9479 -0.0572 0.3135 0.1868 0.8967 -0.4013 0.2582 -0.4389 -0.8606 -56.604 -37.253 18.005 A 82 HIS A 51 HIS.? A 166 SER A 54 SER^? A 168 HIS A 53 HIS.? ULMNm 3 1qol_c05 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 3 3 RMSD = 1.39 A TRANSFORM 0.6853 0.4818 -0.5461 -0.6491 0.7441 -0.1582 -0.3301 -0.4629 -0.8226 -25.942 23.680 36.379 F 51 ALA B 106 ALA.? F 148 HIS B 53 HIS.? F 163 ASP B 109 ASP~? ULMNm 3 2r11_o01 CARBOXYLESTERASE NP user 16 3 RMSD = 1.40 A TRANSFORM 0.4731 -0.8809 0.0122 -0.8713 -0.4699 -0.1415 -0.1304 -0.0564 0.9899 -7.203 115.133 85.530 B 130 SER B 57 SER^? B 166 PHE B 64 PHE^? B 182 PHE B 40 PHE^? ULMNm 3 1luc_c00 BACTERIAL LUCIFERASE user 5 3 RMSD = 1.40 A TRANSFORM 0.1026 0.3669 0.9246 -0.3676 -0.8497 0.3779 -0.9243 0.3786 -0.0477 21.169 36.199 74.387 A 44 HIS A 51 HIS.? A 45 HIS A 49 HIS^? A 261 PHE A 81 PHE^? ULMNm 3 2vmg_p00 FIBRONECTIN TYPE III DOMAIN PROTEIN user 3 3 RMSD = 1.41 A TRANSFORM -0.9273 -0.3558 0.1160 -0.2485 0.3539 -0.9017 -0.2797 0.8650 0.4166 53.883 14.226 -26.344 A 82 HIS B 51 HIS.? A 166 SER B 54 SER^? A 168 HIS B 53 HIS.? ULMNm 3 1g8f_c00 SULFATE ADENYLYLTRANSFERASE user 4 3 RMSD = 1.41 A TRANSFORM -0.6158 -0.7828 0.0894 -0.5756 0.3695 -0.7295 -0.5380 0.5007 0.6781 36.491 52.973 46.516 A 197 ARG A 24 ARG^? A 201 HIS A 53 HIS.? A 204 HIS A 51 HIS.? ULMNm 3 1j70_c02 ATP SULPHURYLASE user 4 3 RMSD = 1.42 A TRANSFORM -0.1921 0.6828 -0.7049 0.8085 0.5173 0.2807 -0.5563 0.5160 0.6514 28.720 -57.830 24.878 C 197 ARG A 24 ARG^? C 201 HIS A 53 HIS.? C 204 HIS A 51 HIS.? ULMNm 3 1aj8_c00 CITRATE SYNTHASE user 4 3 RMSD = 1.42 A TRANSFORM -0.1924 -0.2923 -0.9368 -0.1372 0.9532 -0.2693 -0.9717 -0.0767 0.2235 66.179 24.638 122.706 A 223 HIS A 53 HIS.? A 262 HIS A 49 HIS^? A 312 ASP A 109 ASP~? ULMNm 3 1qol_c05 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 1.42 A TRANSFORM -0.7424 0.4960 -0.4504 0.5992 0.1909 -0.7775 0.2996 0.8471 0.4389 45.062 -7.889 -67.549 F 51 ALA A 106 ALA.? F 148 HIS A 53 HIS.? F 163 ASP A 109 ASP~? ULMNm 3 1qol_c03 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 3 3 RMSD = 1.42 A TRANSFORM -0.9277 0.3465 -0.1389 -0.3709 -0.8141 0.4467 -0.0417 -0.4660 -0.8838 26.625 11.783 95.188 D 51 ALA B 106 ALA.? D 148 HIS B 53 HIS.? D 163 ASP B 109 ASP~? ULMNm 3 1j70_c01 ATP SULPHURYLASE user 4 3 RMSD = 1.42 A TRANSFORM -0.7544 -0.6344 -0.1686 0.3093 -0.5701 0.7611 0.5789 -0.5220 -0.6264 52.423 95.066 16.805 B 197 ARG A 24 ARG^? B 201 HIS A 53 HIS.? B 204 HIS A 51 HIS.? ULMNm 3 1qol_c06 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 2 3 RMSD = 1.42 A TRANSFORM -0.3982 -0.8452 0.3564 0.9116 -0.3213 0.2565 0.1023 -0.4270 -0.8984 2.299 -47.767 17.989 G 51 ALA B 106 ALA.? G 148 HIS B 53 HIS.? G 163 ASP B 109 ASP~? ULMNm 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 2 3 RMSD = 1.42 A TRANSFORM -0.2982 0.9521 -0.0677 0.5426 0.2275 0.8086 -0.7853 -0.2043 0.5845 -7.563 57.509 38.354 193 ASP B 17 ASP^? 231 ASP A 79 ASP.? 294 ASP B 41 ASP.? ULMNm 3 1aj8_c01 CITRATE SYNTHASE user 4 3 RMSD = 1.43 A TRANSFORM -0.7323 -0.0129 -0.6808 0.0121 -0.9999 0.0060 0.6808 0.0038 -0.7324 79.278 54.485 66.676 B 223 HIS A 53 HIS.? B 262 HIS A 49 HIS^? B 312 ASP A 109 ASP~? ULMNm 3 1qol_c02 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 3 3 RMSD = 1.43 A TRANSFORM 0.9460 -0.3070 0.1042 -0.3183 -0.8178 0.4795 0.0620 0.4867 0.8714 -60.357 8.802 -19.802 C 51 ALA B 106 ALA.? C 148 HIS B 53 HIS.? C 163 ASP B 109 ASP~? ULMNm 3 1qol_c04 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 2 3 RMSD = 1.44 A TRANSFORM 0.6584 0.4959 -0.5662 0.6727 -0.7251 0.1473 0.3375 0.4779 0.8110 -24.511 -25.467 -99.063 E 51 ALA B 106 ALA.? E 148 HIS B 53 HIS.? E 163 ASP B 109 ASP~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 10 3 RMSD = 1.44 A TRANSFORM 0.8341 0.2055 0.5118 0.4105 -0.8511 -0.3272 -0.3684 -0.4830 0.7943 -59.023 30.801 33.996 141 ASP B 79 ASP.? 166 GLY A 78 GLY.? 169 GLU B 11 GLU.? ULMNm 3 1mas_c01 INOSINE-URIDINE NUCLEOSIDE N-RIBOHYDuser 2 3 RMSD = 1.44 A TRANSFORM 0.2570 0.9657 0.0374 0.8889 -0.2210 -0.4012 0.3792 -0.1363 0.9152 -79.541 -31.937 3.652 B 10 ASP B 69 ASP.? B 168 ASN B 67 ASN^? B 241 HIS B 49 HIS^? ULMNm 3 1qol_c07 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 3 3 RMSD = 1.44 A TRANSFORM -0.4053 -0.8310 0.3810 -0.9142 0.3666 -0.1730 -0.0041 0.4184 0.9083 0.806 41.742 -84.176 H 51 ALA B 106 ALA.? H 148 HIS B 53 HIS.? H 163 ASP B 109 ASP~? ULMNm 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 5 3 RMSD = 1.44 A TRANSFORM -0.3431 -0.8094 0.4766 -0.9133 0.1690 -0.3705 -0.2193 0.5624 0.7973 100.191 66.585 -21.986 199 ASP B 41 ASP.? 218 GLU A 32 GLU.? 329 ASP B 17 ASP^? ULMNm 3 1qol_c03 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 1.45 A TRANSFORM 0.8977 0.1946 -0.3952 0.4405 -0.4130 0.7971 0.0081 0.8897 0.4565 -56.141 -51.443 17.779 D 51 ALA A 106 ALA.? D 148 HIS A 53 HIS.? D 163 ASP A 109 ASP~? ULMNm 3 4kbp_c02 PURPLE ACID PHOSPHATASE user 1 3 RMSD = 1.45 A TRANSFORM 0.9228 -0.3806 0.0597 -0.1244 -0.4410 -0.8888 -0.3646 -0.8128 0.4543 12.453 60.524 93.131 C 202 HIS A 53 HIS.? C 295 HIS A 49 HIS^? C 296 HIS A 89 HIS^? ULMNm 3 1xny_c00 PROPIONYL-COA CARBOXYLASE COMPLEX B user 2 3 RMSD = 1.46 A TRANSFORM -0.1446 -0.6964 -0.7029 0.5567 0.5300 -0.6396 -0.8180 0.4838 -0.3111 58.178 -118.631 -90.099 A 183 GLY A 20 GLY.? B 419 GLY A 21 GLY.? B 420 ALA A 44 ALA^? ULMNm 3 4kbp_c00 PURPLE ACID PHOSPHATASE user 1 3 RMSD = 1.46 A TRANSFORM -0.5199 -0.8088 0.2748 0.0610 0.2857 0.9564 0.8520 -0.5140 0.0992 109.119 34.919 13.068 A 202 HIS A 53 HIS.? A 295 HIS A 49 HIS^? A 296 HIS A 89 HIS^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 8 3 RMSD = 1.46 A TRANSFORM -0.6459 0.4482 0.6179 -0.3667 -0.8921 0.2639 -0.6696 0.0561 -0.7406 -2.706 65.183 37.196 141 ASP B 41 ASP.? 166 GLY A 78 GLY.? 169 GLU A 61 GLU^? ULMNm 3 1j70_c01 ATP SULPHURYLASE user 5 3 RMSD = 1.46 A TRANSFORM -0.1027 -0.9131 -0.3947 -0.8323 -0.1384 0.5368 0.5448 -0.3836 0.7457 22.875 155.910 -3.262 B 197 ARG A 24 ARG^? B 201 HIS A 89 HIS^? B 204 HIS A 49 HIS^? ULMNm 3 1qol_c02 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 1.46 A TRANSFORM -0.9203 -0.1638 0.3554 0.3903 -0.4488 0.8039 -0.0279 -0.8785 -0.4770 24.910 -47.503 60.155 C 51 ALA A 106 ALA.? C 148 HIS A 53 HIS.? C 163 ASP A 109 ASP~? ULMNm 3 1qol_c07 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 1.47 A TRANSFORM 0.4730 -0.3446 0.8109 0.8801 0.2291 -0.4160 0.0424 -0.9104 -0.4116 -70.458 -40.163 -13.088 H 51 ALA A 106 ALA.? H 148 HIS A 53 HIS.? H 163 ASP A 109 ASP~? ULMNm 3 1qol_c06 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 1.47 A TRANSFORM 0.4642 -0.3203 0.8258 -0.8751 -0.3098 0.3717 -0.1368 0.8952 0.4241 -70.298 40.803 -43.087 G 51 ALA A 106 ALA.? G 148 HIS A 53 HIS.? G 163 ASP A 109 ASP~? ULMNm 3 2odj_o00 PORIN D user 5 3 RMSD = 1.47 A TRANSFORM -0.8480 0.5001 -0.1754 0.4601 0.5306 -0.7119 0.2629 0.6844 0.6800 38.269 -6.075 -11.478 A 156 HIS B 6 HIS.? A 208 ASP A 79 ASP.? A 296 SER B 54 SER^? ULMNm 3 1g8f_c00 SULFATE ADENYLYLTRANSFERASE user 7 3 RMSD = 1.47 A TRANSFORM -0.3548 0.4104 -0.8401 -0.9291 -0.2553 0.2676 0.1047 -0.8754 -0.4719 2.915 72.127 60.213 A 197 ARG A 52 ARG.? A 201 HIS A 49 HIS^? A 204 HIS A 89 HIS^? ULMNm 3 4kbp_c03 PURPLE ACID PHOSPHATASE user 1 3 RMSD = 1.47 A TRANSFORM 0.2260 0.9299 -0.2903 -0.0581 -0.2846 -0.9569 0.9724 -0.2332 0.0103 31.812 143.872 0.519 D 202 HIS A 53 HIS.? D 295 HIS A 49 HIS^? D 296 HIS A 89 HIS^? ULMNm 3 4kbp_c01 PURPLE ACID PHOSPHATASE user 1 3 RMSD = 1.47 A TRANSFORM -0.9224 0.3823 -0.0550 0.0089 -0.1213 -0.9926 0.3861 0.9160 -0.1085 63.585 46.596 16.127 B 202 HIS A 53 HIS.? B 295 HIS A 49 HIS^? B 296 HIS A 89 HIS^? ULMNm 3 2r11_o01 CARBOXYLESTERASE NP user 5 3 RMSD = 1.47 A TRANSFORM -0.7775 0.2933 -0.5563 0.5842 0.0094 -0.8115 0.2328 0.9560 0.1787 15.325 25.367 51.563 B 130 SER A 57 SER^? B 166 PHE A 103 PHE^? B 182 PHE A 110 PHE~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 9 3 RMSD = 1.48 A TRANSFORM 0.4062 0.4778 0.7789 -0.7249 -0.3505 0.5930 -0.5563 0.8055 -0.2040 -52.415 56.356 -2.884 141 ASP B 79 ASP.? 166 GLY A 78 GLY.? 169 GLU A 63 GLU.? ULMNm 3 1mas_c00 INOSINE-URIDINE NUCLEOSIDE N-RIBOHYDuser 2 3 RMSD = 1.49 A TRANSFORM 0.7459 -0.5713 -0.3425 0.5578 0.8168 -0.1476 -0.3640 0.0810 -0.9279 -2.078 -84.199 58.046 A 10 ASP B 69 ASP.? A 168 ASN B 67 ASN^? A 241 HIS B 49 HIS^? ULMNm 3 1qol_c04 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 1.49 A TRANSFORM -0.7173 0.5175 -0.4666 -0.6252 -0.1822 0.7589 -0.3077 -0.8361 -0.4542 43.496 9.176 5.870 E 51 ALA A 106 ALA.? E 148 HIS A 53 HIS.? E 163 ASP A 109 ASP~? ULMNm 3 2r11_o01 CARBOXYLESTERASE NP user 18 3 RMSD = 1.50 A TRANSFORM 0.7704 0.5353 -0.3464 -0.5554 0.8302 0.0476 -0.3131 -0.1557 -0.9369 -76.494 37.185 140.688 B 130 SER B 57 SER^? B 166 PHE B 103 PHE^? B 182 PHE B 110 PHE~? ULMNm 3 1be1_c02 GLUTAMATE MUTASE user 5 3 RMSD = 1.50 A TRANSFORM 0.6711 0.7412 0.0147 0.6640 -0.5922 -0.4565 0.3297 -0.3161 0.8896 -58.739 -25.636 -25.949 14 ASP A 88 ASP.? 16 HIS A 89 HIS^? 67 GLY A 19 GLY.?