*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1lij_c01 ADENOSINE KINASE user 6 3 RMSD = 0.43 A TRANSFORM -0.1966 -0.8046 -0.5603 0.8265 -0.4434 0.3468 -0.5275 -0.3949 0.7522 202.993 -9.336 34.936 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 = 0.43 A TRANSFORM 0.1718 0.6298 0.7575 -0.8046 -0.3540 0.4768 0.5685 -0.6914 0.4459 106.534 68.305 -4.326 A 316 ALA A 77 ALA.? A 317 GLY A 78 GLY.? A 318 ASP A 79 ASP.? ULMNm 3 1lio_c01 ADENOSINE KINASE user 3 3 RMSD = 0.45 A TRANSFORM -0.5365 -0.8383 -0.0974 -0.6209 0.4702 -0.6271 0.5715 -0.2760 -0.7728 87.576 36.065 29.791 A 316 ALA A 77 ALA.? A 317 GLY A 78 GLY.? A 318 ASP A 79 ASP.? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 6 3 RMSD = 0.47 A TRANSFORM -0.7607 0.2115 -0.6137 0.5980 -0.1393 -0.7893 -0.2524 -0.9674 -0.0205 65.881 -31.707 59.034 A 250 ALA B 77 ALA.? A 251 GLY B 78 GLY.? A 252 ASP B 79 ASP.? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 3 3 RMSD = 0.48 A TRANSFORM 0.7261 0.6343 -0.2654 -0.6376 0.7656 0.0855 0.2574 0.1071 0.9604 -32.267 -18.393 -25.012 A 250 ALA A 77 ALA.? A 251 GLY A 78 GLY.? A 252 ASP A 79 ASP.? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 6 3 RMSD = 0.48 A TRANSFORM -0.7362 0.2210 0.6396 0.4864 -0.4845 0.7272 0.4705 0.8465 0.2492 37.190 -34.355 -120.155 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 3 3 RMSD = 0.49 A TRANSFORM 0.7672 -0.6158 -0.1794 -0.4447 -0.7123 0.5431 -0.4622 -0.3369 -0.8203 6.617 25.133 -8.802 B 250 ALA A 77 ALA.? B 251 GLY A 78 GLY.? B 252 ASP A 79 ASP.? ULMNm 3 1lio_c01 ADENOSINE KINASE user 6 3 RMSD = 0.50 A TRANSFORM 0.5778 0.1650 0.7994 0.5906 0.5915 -0.5489 -0.5634 0.7893 0.2443 -23.230 -31.715 29.397 A 316 ALA B 77 ALA.? A 317 GLY B 78 GLY.? A 318 ASP B 79 ASP.? ULMNm 3 1xny_c00 PROPIONYL-COA CARBOXYLASE COMPLEX B user 3 3 RMSD = 0.56 A TRANSFORM -0.3779 0.6614 -0.6479 0.1135 0.7276 0.6766 0.9189 0.1822 -0.3500 19.594 -106.558 -172.594 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 = 0.60 A TRANSFORM 0.3680 0.6200 -0.6929 -0.0757 -0.7228 -0.6869 -0.9268 0.3052 -0.2190 -16.315 -18.340 -85.327 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 = 0.75 A TRANSFORM -0.0138 -0.9994 -0.0306 -0.8956 0.0260 -0.4441 0.4446 0.0212 -0.8955 96.235 -55.817 -134.855 A 420 ALA B 44 ALA.? B 182 GLY B 97 GLY^? B 183 GLY B 96 GLY.? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 2 3 RMSD = 0.78 A TRANSFORM -0.0174 0.1015 0.9947 0.8868 0.4610 -0.0315 -0.4617 0.8816 -0.0980 36.954 -169.611 -135.817 A 420 ALA A 44 ALA^? B 182 GLY A 97 GLY^? B 183 GLY A 96 GLY.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 5 3 RMSD = 0.99 A TRANSFORM -0.4671 -0.7887 -0.3998 -0.7505 0.1145 0.6509 -0.4676 0.6040 -0.6454 60.666 31.189 2.560 141 ASP A 79 ASP.? 166 GLY B 97 GLY^? 169 GLU B 63 GLU.? ULMNm 3 1qho_c07 ALPHA-AMYLASE user 1 3 RMSD = 1.00 A TRANSFORM -0.4364 -0.2392 -0.8674 -0.5130 -0.7259 0.4582 -0.7392 0.6449 0.1941 73.202 128.937 54.298 A 228 ASP A 17 ASP^? A 260 ASP A 101 ASP^? A 329 ASP A 41 ASP.? ULMNm 3 1qho_c07 ALPHA-AMYLASE user 5 3 RMSD = 1.05 A TRANSFORM 0.4298 0.8903 0.1507 0.5410 -0.3875 0.7465 0.7229 -0.2393 -0.6482 -31.587 56.986 27.828 A 228 ASP B 17 ASP^? A 260 ASP B 101 ASP^? A 329 ASP B 41 ASP.? ULMNm 3 1qrz_c20 PLASMINOGEN user 7 3 RMSD = 1.09 A TRANSFORM -0.8359 0.3810 0.3952 -0.0326 -0.7530 0.6572 0.5480 0.5364 0.6419 -13.389 17.966 -34.569 A 603 HIS B 49 HIS^? A 646 ASP B 109 ASP~? A 739 GLY B 20 GLY.? ULMNm 3 1j70_c00 ATP SULPHURYLASE user 11 3 RMSD = 1.10 A TRANSFORM 0.4468 -0.1123 0.8876 0.0557 -0.9867 -0.1529 0.8929 0.1177 -0.4346 -64.813 183.268 -41.592 A 197 ARG B 24 ARG^? A 201 HIS B 51 HIS.? A 204 HIS B 53 HIS.? ULMNm 3 1luc_c00 BACTERIAL LUCIFERASE user 22 3 RMSD = 1.11 A TRANSFORM -0.7067 -0.2023 -0.6780 -0.4202 0.8910 0.1721 0.5693 0.4065 -0.7146 113.329 -20.393 10.984 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 = 1.11 A TRANSFORM -0.8406 0.4316 -0.3273 0.1418 0.7585 0.6360 0.5228 0.4882 -0.6988 68.175 -20.961 6.557 A 194 SER B 57 SER^? A 292 ASP A 109 ASP~? A 322 HIS B 65 HIS^? ULMNm 3 1qrz_c23 PLASMINOGEN user 7 3 RMSD = 1.12 A TRANSFORM -0.7790 -0.3504 -0.5200 0.0408 0.7992 -0.5996 0.6257 -0.4883 -0.6083 14.209 -28.162 60.250 D 603 HIS B 49 HIS^? D 646 ASP B 109 ASP~? D 739 GLY B 20 GLY.? ULMNm 3 1j70_c01 ATP SULPHURYLASE user 3 3 RMSD = 1.13 A TRANSFORM -0.3525 -0.5016 0.7901 -0.2623 -0.7575 -0.5979 0.8983 -0.4180 0.1354 9.941 155.371 -16.913 B 197 ARG A 24 ARG^? B 201 HIS A 51 HIS.? B 204 HIS A 53 HIS.? ULMNm 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 5 3 RMSD = 1.13 A TRANSFORM -0.3063 -0.9392 0.1553 -0.9518 0.3047 -0.0344 -0.0151 -0.1584 -0.9873 111.802 54.437 42.515 199 ASP B 41 ASP.? 218 GLU A 32 GLU.? 329 ASP B 17 ASP^? ULMNm 3 1g8f_c00 SULFATE ADENYLYLTRANSFERASE user 11 3 RMSD = 1.14 A TRANSFORM 0.4382 -0.4993 0.7474 -0.0971 -0.8529 -0.5129 0.8936 0.1522 -0.4222 -40.130 70.261 6.064 A 197 ARG B 24 ARG^? A 201 HIS B 51 HIS.? A 204 HIS B 53 HIS.? ULMNm 3 1j70_c02 ATP SULPHURYLASE user 11 3 RMSD = 1.14 A TRANSFORM -0.3241 -0.5144 -0.7939 -0.3288 0.8482 -0.4153 0.8870 0.1265 -0.4441 81.924 0.716 -14.724 C 197 ARG B 24 ARG^? C 201 HIS B 51 HIS.? C 204 HIS B 53 HIS.? ULMNm 3 1aql_c02 BILE-SALT ACTIVATED LIPASE user 4 3 RMSD = 1.14 A TRANSFORM 0.7913 0.3526 -0.4994 -0.1501 -0.6799 -0.7178 -0.5927 0.6430 -0.4851 -9.413 72.109 54.052 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 11 3 RMSD = 1.14 A TRANSFORM 0.4893 0.4532 0.7451 0.7398 -0.6681 -0.0795 0.4618 0.5901 -0.6622 -55.435 -2.119 -44.110 141 ASP B 79 ASP.? 166 GLY A 97 GLY^? 169 GLU A 63 GLU.? ULMNm 3 1j70_c00 ATP SULPHURYLASE user 3 3 RMSD = 1.15 A TRANSFORM -0.4184 -0.8902 0.1802 -0.0716 0.2301 0.9705 -0.9054 0.3932 -0.1600 21.401 124.702 34.956 A 197 ARG A 24 ARG^? A 201 HIS A 51 HIS.? A 204 HIS A 53 HIS.? ULMNm 3 1j70_c02 ATP SULPHURYLASE user 3 3 RMSD = 1.15 A TRANSFORM 0.2925 0.8434 0.4507 0.3236 0.3562 -0.8766 -0.8999 0.4023 -0.1687 -22.512 -6.545 61.208 C 197 ARG A 24 ARG^? C 201 HIS A 51 HIS.? C 204 HIS A 53 HIS.? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 1 3 RMSD = 1.15 A TRANSFORM 0.1119 0.8127 0.5718 -0.5780 -0.4148 0.7027 0.8083 -0.4091 0.4234 6.027 -53.312 -170.385 A 420 ALA A 44 ALA^? B 182 GLY A 19 GLY.? B 183 GLY A 20 GLY.? ULMNm 3 1luc_c00 BACTERIAL LUCIFERASE user 7 3 RMSD = 1.15 A TRANSFORM 0.6948 0.7115 0.1052 0.3672 -0.2251 -0.9025 -0.6184 0.6657 -0.4176 -6.649 0.023 56.500 A 44 HIS A 51 HIS.? A 45 HIS A 86 HIS.? A 261 PHE A 82 PHE^? ULMNm 3 1j70_c01 ATP SULPHURYLASE user 11 3 RMSD = 1.18 A TRANSFORM 0.3636 -0.7503 0.5521 0.2918 0.6546 0.6974 -0.8847 -0.0924 0.4569 -13.632 51.291 56.152 B 197 ARG B 24 ARG^? B 201 HIS B 51 HIS.? B 204 HIS B 53 HIS.? ULMNm 3 5fit_c00 FRAGILE HISTIDINE TRIAD PROTEIN user 2 3 RMSD = 1.20 A TRANSFORM 0.0730 -0.9970 0.0236 0.0583 0.0279 0.9979 -0.9956 -0.0715 0.0602 49.535 -15.241 70.683 83 GLN B 55 GLN^? 94 HIS B 86 HIS.? 96 HIS B 51 HIS.? ULMNm 3 1hkd_p00 PEA LECTIN ALPHA CHAIN user 2 3 RMSD = 1.21 A TRANSFORM 0.3394 0.7841 -0.5196 -0.4473 0.6205 0.6442 0.8275 0.0138 0.5613 -52.310 15.653 -80.975 A 81 ASP B 69 ASP.? A 99 GLY B 70 GLY.? A 125 ASN B 67 ASN^? ULMNm 3 1hkd_p00 PEA LECTIN ALPHA CHAIN user 1 3 RMSD = 1.22 A TRANSFORM -0.4598 0.4907 -0.7402 0.3113 -0.6915 -0.6518 -0.8317 -0.5301 0.1652 3.958 47.551 32.900 A 81 ASP A 69 ASP.? A 99 GLY A 70 GLY.? A 125 ASN A 67 ASN^? ULMNm 3 1aql_c03 BILE-SALT ACTIVATED LIPASE user 18 3 RMSD = 1.22 A TRANSFORM 0.2241 0.9000 -0.3738 -0.1701 -0.3416 -0.9243 -0.9596 0.2707 0.0765 -7.065 114.033 59.047 B 194 SER B 57 SER^? B 292 ASP A 109 ASP~? B 322 HIS B 65 HIS^? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 4 3 RMSD = 1.24 A TRANSFORM -0.0366 -0.7036 -0.7097 0.6369 -0.5637 0.5259 -0.7701 -0.4327 0.4688 95.615 -108.129 -89.193 A 420 ALA B 44 ALA.? B 182 GLY B 19 GLY.? B 183 GLY B 20 GLY.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 4 3 RMSD = 1.24 A TRANSFORM -0.4010 -0.8288 -0.3902 0.9118 -0.4022 -0.0827 -0.0884 -0.3890 0.9170 59.187 -17.789 15.017 141 ASP A 79 ASP.? 166 GLY B 78 GLY.? 169 GLU B 63 GLU.? ULMNm 3 1qol_c07 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 3 3 RMSD = 1.25 A TRANSFORM 0.1699 0.4641 -0.8693 -0.9674 0.2468 -0.0573 0.1879 0.8507 0.4909 -33.908 44.953 -95.765 H 51 ALA B 106 ALA.? H 148 HIS B 53 HIS.? H 163 ASP B 109 ASP~? ULMNm 3 5fit_c00 FRAGILE HISTIDINE TRIAD PROTEIN user 1 3 RMSD = 1.25 A TRANSFORM 0.0531 0.0306 0.9981 -0.0621 -0.9975 0.0339 0.9967 -0.0638 -0.0511 -5.464 46.717 -30.210 83 GLN A 55 GLN^? 94 HIS A 86 HIS.? 96 HIS A 51 HIS.? ULMNm 3 1qol_c07 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 1.25 A TRANSFORM -0.2484 0.8509 -0.4629 0.9482 0.1161 -0.2956 -0.1977 -0.5124 -0.8357 -33.946 -43.614 -0.934 H 51 ALA A 106 ALA.? H 148 HIS A 53 HIS.? H 163 ASP A 109 ASP~? ULMNm 3 1aql_c03 BILE-SALT ACTIVATED LIPASE user 4 3 RMSD = 1.27 A TRANSFORM -0.3010 0.3153 -0.9000 0.1353 0.9483 0.2870 0.9440 -0.0354 -0.3281 51.124 28.368 -19.776 B 194 SER A 57 SER^? B 292 ASP B 109 ASP~? B 322 HIS A 65 HIS^? ULMNm 3 4kbp_c02 PURPLE ACID PHOSPHATASE user 5 3 RMSD = 1.27 A TRANSFORM -0.9882 0.0376 0.1488 0.0034 0.9746 -0.2240 -0.1534 -0.2208 -0.9632 96.023 -3.643 105.256 C 202 HIS B 53 HIS.? C 295 HIS B 49 HIS^? C 296 HIS B 89 HIS^? ULMNm 3 1g8f_c00 SULFATE ADENYLYLTRANSFERASE user 3 3 RMSD = 1.28 A TRANSFORM -0.4197 -0.7206 0.5519 0.0747 0.5786 0.8122 -0.9046 0.3821 -0.1890 15.919 -15.448 85.073 A 197 ARG A 24 ARG^? A 201 HIS A 51 HIS.? A 204 HIS A 53 HIS.? ULMNm 3 1luc_c00 BACTERIAL LUCIFERASE user 5 3 RMSD = 1.28 A TRANSFORM -0.5597 -0.5526 0.6176 0.5057 0.3626 0.7828 -0.6565 0.7505 0.0765 84.522 -47.337 48.765 A 44 HIS A 51 HIS.? A 45 HIS A 49 HIS^? A 261 PHE A 81 PHE^? ULMNm 3 1aql_c03 BILE-SALT ACTIVATED LIPASE user 23 3 RMSD = 1.28 A TRANSFORM 0.2981 0.9455 -0.1311 -0.9071 0.2379 -0.3473 -0.2972 0.2225 0.9286 -6.247 117.400 6.193 B 194 SER B 104 SER^? B 292 ASP A 69 ASP.? B 322 HIS A 6 HIS.? ULMNm 3 4kbp_c00 PURPLE ACID PHOSPHATASE user 5 3 RMSD = 1.29 A TRANSFORM 0.0122 -0.0491 -0.9987 -0.0357 -0.9982 0.0487 -0.9993 0.0351 -0.0140 96.260 100.577 95.601 A 202 HIS B 53 HIS.? A 295 HIS B 49 HIS^? A 296 HIS B 89 HIS^? ULMNm 3 4kbp_c03 PURPLE ACID PHOSPHATASE user 5 3 RMSD = 1.29 A TRANSFORM 0.3071 0.0328 0.9511 0.0332 0.9984 -0.0451 -0.9511 0.0454 0.3055 18.074 78.395 82.894 D 202 HIS B 53 HIS.? D 295 HIS B 49 HIS^? D 296 HIS B 89 HIS^? ULMNm 3 4kbp_c01 PURPLE ACID PHOSPHATASE user 5 3 RMSD = 1.29 A TRANSFORM 0.9884 -0.0425 -0.1456 0.0620 0.9893 0.1324 0.1384 -0.1399 0.9805 -19.764 -18.068 27.807 B 202 HIS B 53 HIS.? B 295 HIS B 49 HIS^? B 296 HIS B 89 HIS^? ULMNm 3 1ni4_c01 PYRUVATE DEHYDROGENASE E1 COMPONENT:user 6 3 RMSD = 1.30 A TRANSFORM 0.7639 -0.0574 -0.6427 0.2357 -0.9024 0.3607 -0.6007 -0.4271 -0.6759 -8.032 -0.933 137.362 A 263 HIS B 89 HIS^? D 59 GLU A 32 GLU.? D 128 HIS B 86 HIS.? ULMNm 3 1j70_c01 ATP SULPHURYLASE user 16 3 RMSD = 1.30 A TRANSFORM -0.2998 0.9533 -0.0361 0.5171 0.1306 -0.8459 -0.8017 -0.2723 -0.5321 -36.431 107.261 92.446 B 197 ARG B 52 ARG.? B 201 HIS B 89 HIS^? B 204 HIS B 49 HIS^? ULMNm 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 3 3 RMSD = 1.30 A TRANSFORM 0.3234 -0.0840 0.9425 0.9461 0.0459 -0.3205 -0.0164 0.9954 0.0943 33.553 -27.883 -19.853 199 ASP A 41 ASP.? 218 GLU B 32 GLU.? 329 ASP A 17 ASP^? ULMNm 3 1b2m_c00 5'-R(*GP*(CH2)U)-3' user 4 3 RMSD = 1.30 A TRANSFORM -0.3367 0.9379 0.0831 -0.4369 -0.2338 0.8686 0.8341 0.2561 0.4885 1.532 30.544 -55.838 A 40 HIS B 31 HIS.? A 58 GLU B 32 GLU.? A 92 HIS A 86 HIS.? ULMNm 3 1n2t_c02 L-CYSTEINE-CYSTINE LYASE C-DES user 2 3 RMSD = 1.30 A TRANSFORM -0.6931 0.4803 -0.5375 0.4772 0.8646 0.1574 0.5403 -0.1475 -0.8284 -32.289 -70.834 -21.147 A 114 HIS B 51 HIS.? A 197 ASP B 109 ASP~? A 223 ALA B 35 ALA^? ULMNm 3 1al6_c00 CITRATE SYNTHASE user 1 3 RMSD = 1.31 A TRANSFORM -0.1545 0.8859 0.4374 0.0215 0.4457 -0.8949 -0.9878 -0.1289 -0.0879 -5.598 -5.783 62.476 274 HIS A 49 HIS^? 320 HIS A 53 HIS.? 375 ASP A 101 ASP^? ULMNm 3 1n2t_c03 L-CYSTEINE-CYSTINE LYASE C-DES user 2 3 RMSD = 1.31 A TRANSFORM 0.6993 -0.4847 0.5254 -0.5574 -0.8299 -0.0237 0.4475 -0.2763 -0.8505 -61.352 66.737 -9.875 B 114 HIS B 51 HIS.? B 197 ASP B 109 ASP~? B 223 ALA B 35 ALA^? ULMNm 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 2 3 RMSD = 1.31 A TRANSFORM 0.3388 0.5473 0.7653 -0.3921 0.8215 -0.4140 -0.8553 -0.1599 0.4929 -24.450 82.293 40.210 193 ASP B 17 ASP^? 231 ASP A 79 ASP.? 294 ASP B 41 ASP.? ULMNm 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 1 3 RMSD = 1.32 A TRANSFORM -0.3189 -0.8287 -0.4600 0.3269 0.3594 -0.8741 0.8897 -0.4291 0.1563 82.934 71.403 -33.552 193 ASP A 17 ASP^? 231 ASP B 79 ASP.? 294 ASP A 41 ASP.? ULMNm 3 1ni4_c00 PYRUVATE DEHYDROGENASE E1 COMPONENT:user 4 3 RMSD = 1.32 A TRANSFORM -0.9446 0.1121 0.3086 0.3007 0.6726 0.6761 -0.1318 0.7315 -0.6690 44.703 -51.011 86.197 B 59 GLU A 32 GLU.? B 128 HIS B 86 HIS.? C 263 HIS B 89 HIS^? ULMNm 3 1al6_c00 CITRATE SYNTHASE user 16 3 RMSD = 1.32 A TRANSFORM -0.4952 -0.4032 -0.7695 0.1468 0.8342 -0.5315 0.8563 -0.3762 -0.3540 77.271 -32.038 -13.805 274 HIS B 89 HIS^? 320 HIS B 53 HIS.? 375 ASP B 101 ASP^? ULMNm 3 1ni4_c01 PYRUVATE DEHYDROGENASE E1 COMPONENT:user 3 3 RMSD = 1.32 A TRANSFORM -0.7855 0.6183 0.0276 -0.1840 -0.2758 0.9435 0.5909 0.7360 0.3303 33.995 -12.544 15.317 A 263 HIS A 89 HIS^? D 59 GLU B 32 GLU.? D 128 HIS A 86 HIS.? ULMNm 3 1aj8_c01 CITRATE SYNTHASE user 14 3 RMSD = 1.32 A TRANSFORM 0.1974 -0.7282 0.6563 -0.8718 0.1758 0.4573 -0.4484 -0.6625 -0.6001 27.173 52.063 161.493 B 223 HIS B 89 HIS^? B 262 HIS B 53 HIS.? B 312 ASP B 101 ASP^? ULMNm 3 1aj8_c00 CITRATE SYNTHASE user 13 3 RMSD = 1.32 A TRANSFORM -0.3419 -0.8866 0.3116 0.8400 -0.4370 -0.3216 0.4212 0.1518 0.8942 77.232 22.899 15.081 A 223 HIS B 89 HIS^? A 262 HIS B 53 HIS.? A 312 ASP B 101 ASP^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 8 3 RMSD = 1.33 A TRANSFORM -0.6313 0.4401 0.6386 -0.6716 -0.7219 -0.1665 0.3878 -0.5340 0.7513 -3.182 75.081 2.879 141 ASP B 41 ASP.? 166 GLY A 78 GLY.? 169 GLU A 61 GLU^? ULMNm 3 1xny_c00 PROPIONYL-COA CARBOXYLASE COMPLEX B user 2 3 RMSD = 1.33 A TRANSFORM -0.6113 -0.5355 0.5827 0.0661 0.6992 0.7119 -0.7886 0.4737 -0.3920 81.135 -94.497 -91.543 A 183 GLY A 20 GLY.? B 419 GLY A 21 GLY.? B 420 ALA A 44 ALA^? ULMNm 3 1ni4_c00 PYRUVATE DEHYDROGENASE E1 COMPONENT:user 7 3 RMSD = 1.33 A TRANSFORM 0.9505 -0.2852 -0.1231 -0.3014 -0.7507 -0.5879 0.0752 0.5959 -0.7995 -29.720 55.019 82.379 B 59 GLU B 32 GLU.? B 128 HIS A 86 HIS.? C 263 HIS A 89 HIS^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 9 3 RMSD = 1.33 A TRANSFORM 0.4184 0.4477 0.7903 -0.8989 0.0795 0.4309 0.1300 -0.8906 0.4357 -51.809 47.708 31.232 141 ASP B 79 ASP.? 166 GLY A 78 GLY.? 169 GLU A 63 GLU.? ULMNm 3 1j70_c01 ATP SULPHURYLASE user 14 3 RMSD = 1.33 A TRANSFORM 0.4985 -0.4194 0.7587 0.3340 0.9006 0.2783 -0.8000 0.1146 0.5890 -37.769 48.319 41.443 B 197 ARG B 24 ARG^? B 201 HIS B 89 HIS^? B 204 HIS B 51 HIS.? ULMNm 3 1j70_c02 ATP SULPHURYLASE user 14 3 RMSD = 1.34 A TRANSFORM -0.3936 -0.8192 -0.4172 -0.4523 0.5677 -0.6879 0.8003 -0.0820 -0.5939 89.425 23.700 0.529 C 197 ARG B 24 ARG^? C 201 HIS B 89 HIS^? C 204 HIS B 51 HIS.? ULMNm 3 1qol_c01 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 3 3 RMSD = 1.34 A TRANSFORM 0.9502 -0.0872 -0.2992 0.1144 -0.7953 0.5953 -0.2899 -0.5999 -0.7458 -64.680 25.255 105.440 B 51 ALA B 106 ALA.? B 148 HIS B 53 HIS.? B 163 ASP B 109 ASP~? ULMNm 3 1aql_c03 BILE-SALT ACTIVATED LIPASE user 10 3 RMSD = 1.34 A TRANSFORM -0.3530 0.0713 -0.9329 0.8700 0.3918 -0.2993 0.3442 -0.9173 -0.2003 74.011 20.176 36.503 B 194 SER A 104 SER^? B 292 ASP B 69 ASP.? B 322 HIS B 6 HIS.? ULMNm 3 1qol_c06 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 2 3 RMSD = 1.34 A TRANSFORM 0.1608 0.4326 -0.8871 0.9820 -0.1604 0.0998 -0.0991 -0.8872 -0.4506 -31.300 -52.000 30.090 G 51 ALA B 106 ALA.? G 148 HIS B 53 HIS.? G 163 ASP B 109 ASP~? ULMNm 3 4kbp_c02 PURPLE ACID PHOSPHATASE user 6 3 RMSD = 1.34 A TRANSFORM 0.8939 -0.3427 -0.2888 0.4146 0.8772 0.2421 0.1704 -0.3361 0.9263 37.303 -33.119 36.916 C 202 HIS B 53 HIS.? C 295 HIS B 89 HIS^? C 296 HIS B 49 HIS^? ULMNm 3 1qol_c03 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 1.34 A TRANSFORM 0.9374 0.1271 -0.3243 -0.2833 0.8198 -0.4976 0.2026 0.5583 0.8045 -58.117 -15.376 8.083 D 51 ALA A 106 ALA.? D 148 HIS A 53 HIS.? D 163 ASP A 109 ASP~? ULMNm 3 1qol_c03 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 3 3 RMSD = 1.34 A TRANSFORM -0.9589 0.2751 -0.0692 0.2047 0.5022 -0.8402 -0.1964 -0.8198 -0.5379 28.492 -22.650 104.444 D 51 ALA B 106 ALA.? D 148 HIS B 53 HIS.? D 163 ASP B 109 ASP~? ULMNm 3 1j70_c02 ATP SULPHURYLASE user 16 3 RMSD = 1.34 A TRANSFORM -0.4377 -0.2826 0.8536 0.3647 -0.9235 -0.1187 0.8218 0.2593 0.5073 29.752 33.470 -48.807 C 197 ARG B 52 ARG.? C 201 HIS B 89 HIS^? C 204 HIS B 49 HIS^? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 3 3 RMSD = 1.34 A TRANSFORM 0.6559 0.3208 0.6833 -0.1888 -0.8067 0.5600 0.7309 -0.4963 -0.4685 -8.452 -60.730 -146.540 A 420 ALA A 77 ALA.? B 182 GLY A 97 GLY^? B 183 GLY A 62 GLY^? ULMNm 3 1al6_c00 CITRATE SYNTHASE user 8 3 RMSD = 1.35 A TRANSFORM 0.4632 0.8173 0.3427 -0.1816 0.4660 -0.8660 -0.8674 0.3389 0.3642 -37.065 4.256 34.772 274 HIS A 89 HIS^? 320 HIS A 53 HIS.? 375 ASP A 101 ASP^? ULMNm 3 1j70_c01 ATP SULPHURYLASE user 8 3 RMSD = 1.35 A TRANSFORM 0.3141 -0.0128 -0.9493 -0.5973 0.7745 -0.2081 0.7379 0.6324 0.2356 -15.842 128.694 -32.878 B 197 ARG A 52 ARG.? B 201 HIS A 89 HIS^? B 204 HIS A 49 HIS^? ULMNm 3 1qol_c01 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 1.35 A TRANSFORM -0.9617 0.2389 0.1347 -0.0346 -0.5931 0.8044 0.2720 0.7689 0.5786 12.997 21.051 1.564 B 51 ALA A 106 ALA.? B 148 HIS A 53 HIS.? B 163 ASP A 109 ASP~? ULMNm 3 1lio_c01 ADENOSINE KINASE user 4 3 RMSD = 1.35 A TRANSFORM -0.2704 0.1628 -0.9489 -0.3801 0.8875 0.2606 0.8845 0.4311 -0.1781 50.257 -16.043 -14.430 A 316 ALA B 44 ALA.? A 317 GLY B 21 GLY.? A 318 ASP B 41 ASP.? ULMNm 3 4kbp_c01 PURPLE ACID PHOSPHATASE user 6 3 RMSD = 1.35 A TRANSFORM -0.8934 0.3377 0.2962 0.3217 0.9413 -0.1028 -0.3135 0.0035 -0.9496 38.825 -20.991 102.216 B 202 HIS B 53 HIS.? B 295 HIS B 89 HIS^? B 296 HIS B 49 HIS^? ULMNm 3 4kbp_c03 PURPLE ACID PHOSPHATASE user 6 3 RMSD = 1.35 A TRANSFORM -0.3938 0.2252 -0.8912 0.3751 0.9245 0.0679 0.8392 -0.3075 -0.4486 99.387 62.018 37.038 D 202 HIS B 53 HIS.? D 295 HIS B 89 HIS^? D 296 HIS B 49 HIS^? ULMNm 3 1aj8_c01 CITRATE SYNTHASE user 7 3 RMSD = 1.35 A TRANSFORM -0.1575 -0.6136 0.7737 0.8906 -0.4267 -0.1571 0.4266 0.6644 0.6137 39.109 -4.496 45.709 B 223 HIS A 89 HIS^? B 262 HIS A 53 HIS.? B 312 ASP A 101 ASP^? ULMNm 3 4kbp_c00 PURPLE ACID PHOSPHATASE user 6 3 RMSD = 1.36 A TRANSFORM 0.1098 -0.1198 0.9867 -0.3740 -0.9247 -0.0706 0.9209 -0.3613 -0.1463 33.689 116.996 26.396 A 202 HIS B 53 HIS.? A 295 HIS B 89 HIS^? A 296 HIS B 49 HIS^? ULMNm 3 1qol_c06 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 1.36 A TRANSFORM -0.2385 0.8702 -0.4312 -0.9641 -0.1590 0.2125 0.1164 0.4664 0.8769 -35.112 45.260 -55.762 G 51 ALA A 106 ALA.? G 148 HIS A 53 HIS.? G 163 ASP A 109 ASP~? ULMNm 3 1qrz_c22 PLASMINOGEN user 9 3 RMSD = 1.36 A TRANSFORM 0.9853 0.1499 0.0820 0.1009 -0.1232 -0.9872 -0.1379 0.9810 -0.1365 -58.199 21.145 -24.186 C 603 HIS B 89 HIS^? C 646 ASP B 69 ASP.? C 739 GLY A 28 GLY^? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 6 3 RMSD = 1.36 A TRANSFORM -0.6492 -0.7136 -0.2632 0.2197 -0.5072 0.8333 -0.7282 0.4832 0.4861 113.844 -97.565 -125.877 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 14 3 RMSD = 1.37 A TRANSFORM 0.5775 0.3008 0.7590 0.1149 -0.9504 0.2892 0.8083 -0.0798 -0.5834 -84.890 169.580 -26.914 A 197 ARG B 24 ARG^? A 201 HIS B 89 HIS^? A 204 HIS B 51 HIS.? ULMNm 3 1qrz_c21 PLASMINOGEN user 9 3 RMSD = 1.37 A TRANSFORM 0.4366 -0.8801 0.1864 -0.0765 0.1702 0.9824 -0.8964 -0.4432 0.0070 -37.019 -30.651 61.602 B 603 HIS B 89 HIS^? B 646 ASP B 69 ASP.? B 739 GLY A 28 GLY^? ULMNm 3 1qol_c05 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 1.37 A TRANSFORM -0.0627 -0.6427 0.7635 0.9163 -0.3403 -0.2112 0.3956 0.6864 0.6103 10.719 -23.909 -72.397 F 51 ALA A 106 ALA.? F 148 HIS A 53 HIS.? F 163 ASP A 109 ASP~? ULMNm 3 1aj8_c00 CITRATE SYNTHASE user 7 3 RMSD = 1.37 A TRANSFORM 0.3666 -0.2340 0.9004 -0.8493 0.3110 0.4266 -0.3799 -0.9211 -0.0847 6.366 67.965 113.546 A 223 HIS A 89 HIS^? A 262 HIS A 53 HIS.? A 312 ASP A 101 ASP^? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 1 3 RMSD = 1.37 A TRANSFORM -0.3218 -0.9268 0.1937 0.4270 -0.3246 -0.8440 0.8450 -0.1889 0.5002 83.025 60.950 -93.528 D 465 GLY A 10 GLY.? D 501 ASP A 109 ASP~? E 367 TYR B 47 TYR^? ULMNm 3 1qol_c00 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 3 3 RMSD = 1.37 A TRANSFORM -0.9540 0.0612 0.2934 0.1501 -0.7498 0.6444 0.2595 0.6589 0.7061 33.444 20.304 -28.950 A 51 ALA B 106 ALA.? A 148 HIS B 53 HIS.? A 163 ASP B 109 ASP~? ULMNm 3 1qrz_c23 PLASMINOGEN user 8 3 RMSD = 1.37 A TRANSFORM -0.8708 0.2214 -0.4390 0.4401 0.7490 -0.4953 0.2192 -0.6245 -0.7496 -6.953 -44.447 85.431 D 603 HIS B 51 HIS.? D 646 ASP B 109 ASP~? D 739 GLY B 46 GLY^? ULMNm 3 1qol_c00 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 1.37 A TRANSFORM 0.9666 -0.2322 -0.1083 -0.0698 -0.6453 0.7607 -0.2465 -0.7278 -0.6400 -46.491 25.059 73.161 A 51 ALA A 106 ALA.? A 148 HIS A 53 HIS.? A 163 ASP A 109 ASP~? ULMNm 3 1qol_c05 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 3 3 RMSD = 1.37 A TRANSFORM 0.1425 -0.7527 0.6427 -0.9025 0.1679 0.3967 -0.4065 -0.6366 -0.6554 6.995 39.053 41.013 F 51 ALA B 106 ALA.? F 148 HIS B 53 HIS.? F 163 ASP B 109 ASP~? ULMNm 3 3qrf_d00 DNA BINDING PROTEIN/DNA user 2 3 RMSD = 1.38 A TRANSFORM -0.6487 -0.0020 -0.7611 -0.7071 0.3716 0.6016 0.2816 0.9284 -0.2424 150.441 52.767 -3.446 G 386 ARG B 52 ARG.? G 387 HIS B 51 HIS.? G 390 SER B 54 SER^? ULMNm 3 1qol_c02 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 3 3 RMSD = 1.38 A TRANSFORM 0.9486 -0.3008 0.0980 0.2466 0.5090 -0.8247 0.1982 0.8065 0.5570 -60.517 -25.044 -27.960 C 51 ALA B 106 ALA.? C 148 HIS B 53 HIS.? C 163 ASP B 109 ASP~? ULMNm 3 1be1_c02 GLUTAMATE MUTASE user 13 3 RMSD = 1.39 A TRANSFORM -0.2119 0.0920 -0.9730 0.8652 0.4805 -0.1430 0.4544 -0.8721 -0.1814 30.256 -68.227 17.858 14 ASP B 88 ASP.? 16 HIS B 49 HIS^? 67 GLY B 62 GLY^? ULMNm 3 1qol_c02 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 1.40 A TRANSFORM -0.9239 -0.1573 0.3487 -0.3258 0.8012 -0.5019 -0.2004 -0.5773 -0.7915 25.092 -12.145 68.673 C 51 ALA A 106 ALA.? C 148 HIS A 53 HIS.? C 163 ASP A 109 ASP~? ULMNm 3 1qrz_c20 PLASMINOGEN user 11 3 RMSD = 1.40 A TRANSFORM 0.4265 -0.8944 0.1347 -0.0984 0.1022 0.9899 -0.8991 -0.4354 -0.0445 -6.648 -26.668 101.223 A 603 HIS B 89 HIS^? A 646 ASP B 69 ASP.? A 739 GLY A 28 GLY^? ULMNm 3 1j70_c00 ATP SULPHURYLASE user 16 3 RMSD = 1.40 A TRANSFORM 0.1142 0.7845 -0.6096 -0.5616 0.5571 0.6118 0.8195 0.2724 0.5042 -43.103 125.661 -75.835 A 197 ARG B 52 ARG.? A 201 HIS B 89 HIS^? A 204 HIS B 49 HIS^? ULMNm 3 1c54_c00 RIBONUCLEASE SA user 1 3 RMSD = 1.40 A TRANSFORM 0.9525 -0.2991 0.0577 -0.1397 -0.5975 -0.7896 0.2707 0.7440 -0.6109 -47.158 55.806 -36.944 A 54 GLU A 32 GLU.? A 65 ARG B 52 ARG.? A 85 HIS B 51 HIS.? ULMNm 3 3qrf_d00 DNA BINDING PROTEIN/DNA user 1 3 RMSD = 1.40 A TRANSFORM 0.6016 0.7944 -0.0840 0.7187 -0.5842 -0.3771 -0.3486 0.1665 -0.9223 44.747 33.287 69.280 G 386 ARG A 52 ARG.? G 387 HIS A 51 HIS.? G 390 SER A 54 SER^? ULMNm 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 6 3 RMSD = 1.41 A TRANSFORM -0.4903 -0.8697 0.0571 -0.8589 0.4933 0.1376 -0.1478 0.0184 -0.9888 116.264 38.080 37.995 199 ASP B 41 ASP.? 218 GLU B 32 GLU.? 329 ASP B 17 ASP^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 10 3 RMSD = 1.41 A TRANSFORM 0.8451 0.2105 0.4915 0.1382 -0.9740 0.1795 0.5165 -0.0837 -0.8522 -59.569 44.396 -10.181 141 ASP B 79 ASP.? 166 GLY A 78 GLY.? 169 GLU B 11 GLU.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 1 3 RMSD = 1.41 A TRANSFORM 0.1534 -0.4378 -0.8859 -0.7689 -0.6160 0.1713 -0.6207 0.6548 -0.4311 17.981 80.483 24.211 141 ASP A 17 ASP^? 166 GLY A 28 GLY^? 169 GLU A 5 GLU.? ULMNm 3 1ddj_c13 PLASMINOGEN user 2 3 RMSD = 1.41 A TRANSFORM -0.9518 -0.2669 -0.1512 0.2410 -0.3456 -0.9069 0.1898 -0.8996 0.3933 28.037 66.202 -8.128 B 603 HIS B 53 HIS.? B 646 ASP B 109 ASP~? B 739 GLY B 28 GLY^? ULMNm 3 1lio_c01 ADENOSINE KINASE user 1 3 RMSD = 1.41 A TRANSFORM 0.2854 0.9196 -0.2699 0.2698 -0.3473 -0.8981 -0.9196 0.1835 -0.3473 -19.847 18.539 91.704 A 316 ALA A 44 ALA^? A 317 GLY A 21 GLY.? A 318 ASP A 41 ASP.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 7 3 RMSD = 1.42 A TRANSFORM -0.1373 0.9179 0.3722 0.7923 -0.1238 0.5975 0.5945 0.3769 -0.7102 -40.157 -25.513 -22.589 141 ASP B 17 ASP^? 166 GLY B 28 GLY^? 169 GLU B 5 GLU.? ULMNm 3 1qrz_c21 PLASMINOGEN user 2 3 RMSD = 1.42 A TRANSFORM 0.9200 -0.1083 -0.3767 0.2458 -0.5890 0.7698 -0.3053 -0.8008 -0.5153 -96.708 -5.533 38.144 B 603 HIS A 49 HIS^? B 646 ASP A 109 ASP~? B 739 GLY A 21 GLY.? ULMNm 3 1qho_c07 ALPHA-AMYLASE user 6 3 RMSD = 1.42 A TRANSFORM -0.7006 -0.6584 -0.2750 0.7078 -0.5925 -0.3847 0.0903 -0.4642 0.8811 98.317 83.240 33.290 A 228 ASP B 41 ASP.? A 260 ASP B 101 ASP^? A 329 ASP B 17 ASP^? ULMNm 3 1qrz_c23 PLASMINOGEN user 11 3 RMSD = 1.42 A TRANSFORM 0.9914 0.1269 0.0329 0.0533 -0.1612 -0.9855 -0.1198 0.9787 -0.1666 -110.115 25.559 14.079 D 603 HIS B 89 HIS^? D 646 ASP B 69 ASP.? D 739 GLY A 28 GLY^? ULMNm 3 1luc_c00 BACTERIAL LUCIFERASE user 6 3 RMSD = 1.42 A TRANSFORM 0.3129 0.4044 -0.8594 0.1982 -0.9127 -0.3573 -0.9289 -0.0585 -0.3658 34.642 17.450 89.969 A 44 HIS A 51 HIS.? A 45 HIS A 53 HIS.? A 261 PHE A 82 PHE^? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 1 3 RMSD = 1.42 A TRANSFORM -0.4935 -0.3367 0.8020 -0.0329 0.9286 0.3696 -0.8691 0.1560 -0.4693 40.022 -21.743 30.065 A 465 GLY A 10 GLY.? A 501 ASP A 109 ASP~? B 367 TYR B 47 TYR^? ULMNm 3 1qrz_c21 PLASMINOGEN user 6 3 RMSD = 1.42 A TRANSFORM -0.4990 0.6478 0.5756 -0.4192 -0.7618 0.4939 0.7585 0.0052 0.6517 -69.437 38.056 -60.280 B 603 HIS B 51 HIS.? B 646 ASP B 109 ASP~? B 739 GLY B 46 GLY^? ULMNm 3 1qrz_c20 PLASMINOGEN user 8 3 RMSD = 1.42 A TRANSFORM -0.4652 0.6869 0.5583 -0.4044 -0.7260 0.5563 0.7875 0.0330 0.6155 -44.442 33.988 -23.372 A 603 HIS B 51 HIS.? A 646 ASP B 109 ASP~? A 739 GLY B 46 GLY^? ULMNm 3 1j70_c02 ATP SULPHURYLASE user 8 3 RMSD = 1.42 A TRANSFORM 0.5177 -0.7765 0.3593 -0.3946 0.1559 0.9055 -0.7592 -0.6105 -0.2257 8.337 14.083 76.679 C 197 ARG A 52 ARG.? C 201 HIS A 89 HIS^? C 204 HIS A 49 HIS^? ULMNm 3 1aql_c02 BILE-SALT ACTIVATED LIPASE user 22 3 RMSD = 1.43 A TRANSFORM -0.4407 0.5735 0.6906 0.8976 0.2711 0.3477 0.0122 0.7731 -0.6342 21.952 -29.753 31.003 A 194 SER B 104 SER^? A 292 ASP A 69 ASP.? A 322 HIS A 6 HIS.? ULMNm 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 2 3 RMSD = 1.43 A TRANSFORM 0.5092 0.0241 0.8603 0.8553 -0.1251 -0.5028 0.0955 0.9919 -0.0843 17.184 -15.053 -26.640 199 ASP A 41 ASP.? 218 GLU A 32 GLU.? 329 ASP A 17 ASP^? ULMNm 3 1xny_c00 PROPIONYL-COA CARBOXYLASE COMPLEX B user 4 3 RMSD = 1.43 A TRANSFORM 0.6542 -0.3973 0.6436 0.0398 -0.8316 -0.5539 0.7553 0.3880 -0.5282 7.858 -10.860 -164.993 A 183 GLY B 20 GLY.? B 419 GLY B 21 GLY.? B 420 ALA B 44 ALA.? ULMNm 3 1qrz_c22 PLASMINOGEN user 2 3 RMSD = 1.43 A TRANSFORM 0.5836 0.7099 0.3943 -0.2620 0.6242 -0.7360 -0.7686 0.3262 0.5503 -53.800 -0.958 41.007 C 603 HIS A 49 HIS^? C 646 ASP A 109 ASP~? C 739 GLY A 21 GLY.? ULMNm 3 1c54_c00 RIBONUCLEASE SA user 2 3 RMSD = 1.44 A TRANSFORM -0.9356 -0.0880 0.3418 0.1164 0.8374 0.5341 -0.3332 0.5395 -0.7732 36.292 -34.439 4.134 A 54 GLU B 32 GLU.? A 65 ARG A 52 ARG.? A 85 HIS A 51 HIS.? ULMNm 3 1qol_c04 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 2 3 RMSD = 1.44 A TRANSFORM 0.1098 -0.7583 0.6426 0.9090 -0.1849 -0.3734 0.4020 0.6252 0.6690 8.798 -39.815 -102.975 E 51 ALA B 106 ALA.? E 148 HIS B 53 HIS.? E 163 ASP B 109 ASP~? ULMNm 3 2bhg_c02 FOOT-AND-MOUTH DISEASE VIRUS 3C PROTuser 1 3 RMSD = 1.44 A TRANSFORM -0.4695 0.0308 0.8824 0.7300 0.5756 0.3684 -0.4965 0.8172 -0.2927 23.241 -64.120 7.018 B 46 HIS B 53 HIS.? B 163 ALA B 106 ALA.? B 182 SER B 104 SER^? ULMNm 3 1hkd_p00 PEA LECTIN ALPHA CHAIN user 3 3 RMSD = 1.45 A TRANSFORM 0.8178 0.0232 -0.5751 0.1743 0.9423 0.2859 0.5485 -0.3341 0.7665 -36.622 -23.485 -53.723 A 81 ASP B 88 ASP.? A 99 GLY B 70 GLY.? A 125 ASN B 67 ASN^? ULMNm 3 1gns_c00 SUBTILISIN BPN' user 2 3 RMSD = 1.45 A TRANSFORM -0.4501 -0.7677 0.4562 -0.8833 0.3078 -0.3535 0.1310 -0.5620 -0.8167 49.757 87.962 72.339 A 32 ASP B 69 ASP.? A 64 HIS A 6 HIS.? A 155 ASN A 30 ASN^? ULMNm 3 2vmg_p00 FIBRONECTIN TYPE III DOMAIN PROTEIN user 1 3 RMSD = 1.45 A TRANSFORM 0.9364 -0.1322 0.3252 -0.1016 -0.9888 -0.1094 0.3360 0.0695 -0.9393 -54.307 20.488 2.436 A 82 HIS A 51 HIS.? A 166 SER A 54 SER^? A 168 HIS A 53 HIS.? ULMNm 3 1rgq_c01 NS4A PEPTIDE user 2 3 RMSD = 1.45 A TRANSFORM -0.2798 -0.9570 0.0770 0.8179 -0.1956 0.5412 -0.5028 0.2144 0.8374 54.008 -17.214 -12.054 B 60 HIS B 6 HIS.? B 84 ASP A 69 ASP.? B 140 GLY B 28 GLY^? ULMNm 3 1luc_c00 BACTERIAL LUCIFERASE user 3 3 RMSD = 1.45 A TRANSFORM 0.8146 -0.0195 0.5796 0.3028 -0.8382 -0.4537 0.4947 0.5451 -0.6769 -3.190 7.814 -3.252 A 44 HIS A 49 HIS^? A 45 HIS A 89 HIS^? A 261 PHE A 40 PHE^? ULMNm 3 2vmg_p00 FIBRONECTIN TYPE III DOMAIN PROTEIN user 3 3 RMSD = 1.45 A TRANSFORM -0.9097 -0.3644 0.1992 0.1496 0.1599 0.9757 -0.3874 0.9174 -0.0910 50.826 -54.774 -7.689 A 82 HIS B 51 HIS.? A 166 SER B 54 SER^? A 168 HIS B 53 HIS.? ULMNm 3 1lij_c01 ADENOSINE KINASE user 4 3 RMSD = 1.45 A TRANSFORM -0.2538 -0.7004 0.6671 -0.8283 -0.1988 -0.5238 0.4995 -0.6855 -0.5297 178.603 74.498 25.262 A 316 ALA B 44 ALA.? A 317 GLY B 21 GLY.? A 318 ASP B 41 ASP.? ULMNm 3 1gns_c00 SUBTILISIN BPN' user 1 3 RMSD = 1.45 A TRANSFORM 0.4848 -0.4135 0.7707 0.8688 0.3295 -0.3697 -0.1010 0.8488 0.5190 -17.198 -2.482 7.810 A 32 ASP A 69 ASP.? A 64 HIS B 6 HIS.? A 155 ASN B 30 ASN^? ULMNm 3 1qrz_c21 PLASMINOGEN user 1 3 RMSD = 1.46 A TRANSFORM 0.9089 -0.2823 -0.3070 0.1292 -0.5094 0.8508 -0.3966 -0.8129 -0.4265 -92.418 -1.992 42.728 B 603 HIS A 49 HIS^? B 646 ASP A 109 ASP~? B 739 GLY A 20 GLY.? ULMNm 3 1b2m_c00 5'-R(*GP*(CH2)U)-3' user 2 3 RMSD = 1.46 A TRANSFORM 0.7587 -0.2404 -0.6054 0.5289 -0.3153 0.7880 -0.3803 -0.9180 -0.1121 -4.969 -17.464 55.657 A 40 HIS A 31 HIS.? A 58 GLU A 32 GLU.? A 92 HIS B 53 HIS.? ULMNm 3 1qrz_c22 PLASMINOGEN user 6 3 RMSD = 1.46 A TRANSFORM -0.8896 0.1750 -0.4220 0.4013 0.7409 -0.5386 0.2183 -0.6485 -0.7293 49.397 -41.257 47.611 C 603 HIS B 51 HIS.? C 646 ASP B 109 ASP~? C 739 GLY B 46 GLY^? ULMNm 3 1qrz_c23 PLASMINOGEN user 1 3 RMSD = 1.46 A TRANSFORM 0.6663 0.6886 0.2861 -0.1520 0.5010 -0.8520 -0.7300 0.5242 0.4385 -110.934 -2.428 73.210 D 603 HIS A 49 HIS^? D 646 ASP A 109 ASP~? D 739 GLY A 20 GLY.? ULMNm 3 1qrz_c22 PLASMINOGEN user 1 3 RMSD = 1.46 A TRANSFORM 0.6633 0.6698 0.3338 -0.1418 0.5505 -0.8227 -0.7348 0.4984 0.4601 -56.709 -4.797 35.674 C 603 HIS A 49 HIS^? C 646 ASP A 109 ASP~? C 739 GLY A 20 GLY.? ULMNm 3 1qol_c04 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 1.47 A TRANSFORM -0.0297 -0.6412 0.7668 -0.9208 0.3160 0.2285 -0.3888 -0.6993 -0.5998 8.833 24.081 9.961 E 51 ALA A 106 ALA.? E 148 HIS A 53 HIS.? E 163 ASP A 109 ASP~? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 4 3 RMSD = 1.47 A TRANSFORM 0.8941 -0.1449 -0.4238 -0.4430 -0.4260 -0.7889 -0.0663 0.8931 -0.4450 -2.661 36.500 -85.268 B 250 ALA B 44 ALA.? B 251 GLY B 21 GLY.? B 252 ASP B 41 ASP.? ULMNm 3 1be1_c02 GLUTAMATE MUTASE user 1 3 RMSD = 1.47 A TRANSFORM 0.2186 0.9758 0.0018 -0.9745 0.2184 -0.0513 -0.0504 0.0094 0.9987 -40.360 34.451 -14.775 14 ASP A 69 ASP.? 16 HIS A 89 HIS^? 67 GLY A 78 GLY.? ULMNm 3 1aql_c02 BILE-SALT ACTIVATED LIPASE user 10 3 RMSD = 1.47 A TRANSFORM 0.4545 -0.6860 -0.5681 -0.8860 -0.4141 -0.2088 -0.0920 0.5982 -0.7960 46.111 96.793 45.685 A 194 SER A 104 SER^? A 292 ASP B 69 ASP.? A 322 HIS B 6 HIS.? ULMNm 3 1rgq_c01 NS4A PEPTIDE user 1 3 RMSD = 1.47 A TRANSFORM 0.2348 -0.0398 0.9712 -0.8591 -0.4760 0.1882 0.4548 -0.8786 -0.1459 -22.050 85.988 -1.964 B 60 HIS A 6 HIS.? B 84 ASP B 69 ASP.? B 140 GLY A 28 GLY^? ULMNm 3 2odj_o01 PORIN D user 5 3 RMSD = 1.47 A TRANSFORM -0.5672 -0.6172 -0.5453 0.4528 -0.7868 0.4195 -0.6880 -0.0090 0.7257 43.551 -13.178 97.292 B 156 HIS B 6 HIS.? B 208 ASP A 79 ASP.? B 296 SER B 54 SER^? ULMNm 3 1g8f_c00 SULFATE ADENYLYLTRANSFERASE user 14 3 RMSD = 1.47 A TRANSFORM 0.5834 -0.1077 0.8050 -0.1013 -0.9931 -0.0595 0.8059 -0.0468 -0.5903 -63.985 66.400 21.385 A 197 ARG B 24 ARG^? A 201 HIS B 89 HIS^? A 204 HIS B 51 HIS.? ULMNm 3 1qrz_c20 PLASMINOGEN user 1 3 RMSD = 1.48 A TRANSFORM 0.8955 -0.2665 -0.3565 0.1552 -0.5638 0.8112 -0.4172 -0.7817 -0.4635 -63.832 -1.810 81.884 A 603 HIS A 49 HIS^? A 646 ASP A 109 ASP~? A 739 GLY A 20 GLY.? ULMNm 3 1qrz_c20 PLASMINOGEN user 6 3 RMSD = 1.48 A TRANSFORM -0.8739 0.2856 0.3934 0.0992 -0.6875 0.7193 0.4760 0.6676 0.5725 -7.686 7.404 -34.656 A 603 HIS B 49 HIS^? A 646 ASP B 109 ASP~? A 739 GLY B 19 GLY.? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 4 3 RMSD = 1.48 A TRANSFORM 0.6205 0.0632 0.7816 -0.7761 0.1921 0.6006 -0.1122 -0.9793 0.1682 -19.285 -8.613 51.183 A 250 ALA B 44 ALA.? A 251 GLY B 21 GLY.? A 252 ASP B 41 ASP.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 6 3 RMSD = 1.48 A TRANSFORM 0.9344 -0.3149 -0.1665 -0.1697 0.0175 -0.9853 0.3132 0.9490 -0.0371 -30.927 27.031 -46.566 141 ASP A 101 ASP^? 166 GLY B 10 GLY.? 169 GLU B 14 GLU.? ULMNm 3 1qrz_c22 PLASMINOGEN user 5 3 RMSD = 1.48 A TRANSFORM -0.9921 -0.1077 -0.0650 -0.1118 0.9917 0.0629 0.0577 0.0697 -0.9959 55.458 -28.271 14.846 C 603 HIS A 89 HIS^? C 646 ASP A 69 ASP.? C 739 GLY B 28 GLY^? ULMNm 3 1j70_c00 ATP SULPHURYLASE user 8 3 RMSD = 1.48 A TRANSFORM -0.1609 0.5272 -0.8343 0.6351 -0.5918 -0.4964 -0.7555 -0.6098 -0.2396 -15.764 126.979 49.962 A 197 ARG A 52 ARG.? A 201 HIS A 89 HIS^? A 204 HIS A 49 HIS^? ULMNm 3 1qrz_c21 PLASMINOGEN user 5 3 RMSD = 1.48 A TRANSFORM -0.3623 -0.1314 0.9227 0.0839 -0.9906 -0.1081 0.9283 0.0383 0.3700 -36.850 23.868 -56.342 B 603 HIS A 89 HIS^? B 646 ASP A 69 ASP.? B 739 GLY B 28 GLY^? ULMNm 3 1qrz_c20 PLASMINOGEN user 2 3 RMSD = 1.48 A TRANSFORM 0.9019 -0.0886 -0.4229 0.2763 -0.6343 0.7220 -0.3322 -0.7680 -0.5476 -68.002 -5.751 77.552 A 603 HIS A 49 HIS^? A 646 ASP A 109 ASP~? A 739 GLY A 21 GLY.? ULMNm 3 4kbp_c02 PURPLE ACID PHOSPHATASE user 1 3 RMSD = 1.49 A TRANSFORM 0.9987 -0.0508 -0.0003 0.0062 0.1263 -0.9920 0.0504 0.9907 0.1265 1.022 40.862 30.633 C 202 HIS A 53 HIS.? C 295 HIS A 49 HIS^? C 296 HIS A 89 HIS^? ULMNm 3 1be1_c02 GLUTAMATE MUTASE user 2 3 RMSD = 1.49 A TRANSFORM -0.0111 0.9998 0.0181 -0.9999 -0.0109 -0.0078 -0.0076 -0.0182 0.9998 -30.062 40.005 -16.212 14 ASP A 69 ASP.? 16 HIS A 89 HIS^? 67 GLY B 10 GLY.? ULMNm 3 1qho_c07 ALPHA-AMYLASE user 2 3 RMSD = 1.49 A TRANSFORM 0.7044 0.3437 0.6211 -0.7073 0.4139 0.5731 -0.0601 -0.8430 0.5346 -27.201 100.760 61.582 A 228 ASP A 41 ASP.? A 260 ASP A 101 ASP^? A 329 ASP A 17 ASP^? ULMNm 3 1be1_c02 GLUTAMATE MUTASE user 10 3 RMSD = 1.49 A TRANSFORM 0.0169 -0.0952 -0.9953 0.9934 0.1144 0.0059 0.1133 -0.9889 0.0965 27.551 -67.684 29.357 14 ASP B 69 ASP.? 16 HIS B 89 HIS^? 67 GLY A 10 GLY.? ULMNm 3 4kbp_c00 PURPLE ACID PHOSPHATASE user 1 3 RMSD = 1.49 A TRANSFORM -0.1085 0.9927 -0.0522 0.0079 0.0534 0.9985 0.9941 0.1079 -0.0136 46.857 42.949 -8.425 A 202 HIS A 53 HIS.? A 295 HIS A 49 HIS^? A 296 HIS A 89 HIS^? ULMNm 3 1be1_c02 GLUTAMATE MUTASE user 14 3 RMSD = 1.50 A TRANSFORM -0.3935 0.1610 -0.9051 0.7082 0.6809 -0.1868 0.5862 -0.7145 -0.3819 33.655 -68.366 10.844 14 ASP B 88 ASP.? 16 HIS B 49 HIS^? 67 GLY B 96 GLY.? ULMNm 3 1qrz_c23 PLASMINOGEN user 2 3 RMSD = 1.50 A TRANSFORM 0.5812 0.7346 0.3501 -0.2665 0.5784 -0.7710 -0.7688 0.3548 0.5320 -107.913 1.050 78.720 D 603 HIS A 49 HIS^? D 646 ASP A 109 ASP~? D 739 GLY A 21 GLY.? ULMNm 3 1sca_c01 SUBTILISIN CARLSBERG (E.C.3.4.21.62)user 2 3 RMSD = 1.50 A TRANSFORM -0.9973 -0.0685 0.0269 0.0002 0.3630 0.9318 -0.0736 0.9293 -0.3620 140.513 22.884 35.312 32 ASP B 69 ASP.? 64 HIS A 6 HIS.? 155 ASN A 30 ASN^?