*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 7 3 RMSD = 0.85 A TRANSFORM -0.9044 0.3581 -0.2318 -0.0817 0.3878 0.9181 0.4187 0.8493 -0.3215 54.706 -127.940 -162.341 A 420 ALA A 149 ALA~? B 182 GLY A 58 GLY^? B 183 GLY A 57 GLY^? ULMNm 3 1qol_c02 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 0.86 A TRANSFORM -0.8740 -0.3284 -0.3581 0.0041 0.7318 -0.6815 0.4859 -0.5971 -0.6383 16.287 -40.573 39.781 C 51 ALA A 60 ALA^? C 148 HIS A 88 HIS^? C 163 ASP A 99 ASP^? ULMNm 3 1qol_c01 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 0.86 A TRANSFORM -0.8030 0.0606 -0.5929 -0.5017 -0.6058 0.6175 -0.3218 0.7933 0.5168 -6.105 51.048 24.389 B 51 ALA A 60 ALA^? B 148 HIS A 88 HIS^? B 163 ASP A 99 ASP^? ULMNm 3 1qol_c00 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 0.91 A TRANSFORM 0.7873 -0.0587 0.6138 -0.4920 -0.6599 0.5679 0.3717 -0.7491 -0.5484 -26.193 52.966 48.850 A 51 ALA A 60 ALA^? A 148 HIS A 88 HIS^? A 163 ASP A 99 ASP^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 5 3 RMSD = 0.91 A TRANSFORM 0.1275 0.8219 0.5552 -0.9299 -0.0957 0.3552 0.3451 -0.5615 0.7521 -46.476 31.735 9.652 141 ASP A 132 ASP.? 166 GLY A 82 GLY.? 169 GLU A 85 GLU.? ULMNm 3 1qol_c07 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 0.95 A TRANSFORM 0.0257 0.8082 -0.5883 0.8543 0.2879 0.4328 0.5191 -0.5138 -0.6831 -60.228 -32.065 -32.521 H 51 ALA A 60 ALA^? H 148 HIS A 88 HIS^? H 163 ASP A 99 ASP^? ULMNm 3 1qol_c06 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 0.95 A TRANSFORM 0.0131 0.8250 -0.5650 -0.8035 -0.3277 -0.4970 -0.5952 0.4605 0.6586 -60.143 30.569 -24.788 G 51 ALA A 60 ALA^? G 148 HIS A 88 HIS^? G 163 ASP A 99 ASP^? ULMNm 3 1qol_c03 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 0.95 A TRANSFORM 0.8678 0.2924 0.4018 0.0354 0.7702 -0.6369 -0.4957 0.5669 0.6580 -47.751 -43.601 38.098 D 51 ALA A 60 ALA^? D 148 HIS A 88 HIS^? D 163 ASP A 99 ASP^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 6 3 RMSD = 0.95 A TRANSFORM 0.5819 0.7192 -0.3795 0.6872 -0.6845 -0.2435 -0.4349 -0.1191 -0.8926 -42.497 21.822 34.071 141 ASP A 138 ASP.? 166 GLY A 57 GLY^? 169 GLU A 146 GLU~? ULMNm 3 1qol_c05 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 0.96 A TRANSFORM -0.4855 -0.6665 0.5657 0.8387 -0.1724 0.5166 -0.2468 0.7253 0.6427 39.251 -7.814 -44.913 F 51 ALA A 60 ALA^? F 148 HIS A 88 HIS^? F 163 ASP A 99 ASP^? ULMNm 3 1qol_c04 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 0.99 A TRANSFORM -0.4635 -0.6624 0.5886 -0.8499 0.1443 -0.5068 0.2508 -0.7351 -0.6298 38.348 8.719 -17.153 E 51 ALA A 60 ALA^? E 148 HIS A 88 HIS^? E 163 ASP A 99 ASP^? ULMNm 3 1e2t_c05 N-HYDROXYARYLAMINE O-ACETYLTRANSFERAuser 1 3 RMSD = 1.04 A TRANSFORM 0.8094 0.5442 -0.2207 0.4977 -0.4362 0.7497 0.3117 -0.7166 -0.6239 22.499 78.929 38.518 F 69 CYH A 89 CYH^? F 107 HIS A 88 HIS^? F 122 ASP A 99 ASP^? ULMNm 3 1e2t_c01 N-HYDROXYARYLAMINE O-ACETYLTRANSFERAuser 1 3 RMSD = 1.05 A TRANSFORM -0.7604 -0.5863 0.2792 0.5726 -0.4026 0.7141 -0.3063 0.7030 0.6419 109.684 75.638 46.552 B 69 CYH A 89 CYH^? B 107 HIS A 88 HIS^? B 122 ASP A 99 ASP^? ULMNm 3 1e2t_c06 N-HYDROXYARYLAMINE O-ACETYLTRANSFERAuser 1 3 RMSD = 1.08 A TRANSFORM -0.1098 -0.8583 -0.5012 -0.5524 0.4719 -0.6872 0.8264 0.2014 -0.5259 68.190 96.379 11.247 G 69 CYH A 89 CYH^? G 107 HIS A 88 HIS^? G 122 ASP A 99 ASP^? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 1 3 RMSD = 1.09 A TRANSFORM 0.5113 -0.0624 0.8571 -0.8262 0.2388 0.5103 -0.2365 -0.9691 0.0706 32.996 9.078 59.338 A 67 ASP A 73 ASP.? A 68 ALA A 72 ALA.? A 72 LEU A 59 LEU^? ULMNm 3 1e2t_c00 N-HYDROXYARYLAMINE O-ACETYLTRANSFERAuser 1 3 RMSD = 1.09 A TRANSFORM 0.3380 0.6196 -0.7085 0.7629 0.2605 0.5918 0.5512 -0.7405 -0.3846 86.570 61.477 83.294 A 69 CYH A 89 CYH^? A 107 HIS A 88 HIS^? A 122 ASP A 99 ASP^? ULMNm 3 1be1_c02 GLUTAMATE MUTASE user 1 3 RMSD = 1.09 A TRANSFORM 0.5657 0.7911 -0.2327 0.8190 -0.5719 0.0468 -0.0961 -0.2171 -0.9714 -49.712 1.349 8.867 14 ASP A 73 ASP.? 16 HIS A 74 HIS.? 67 GLY A 66 GLY.? ULMNm 3 1e2t_c07 N-HYDROXYARYLAMINE O-ACETYLTRANSFERAuser 1 3 RMSD = 1.11 A TRANSFORM -0.3921 0.9194 -0.0311 -0.7122 -0.3248 -0.6223 -0.5823 -0.2219 0.7821 26.191 114.119 16.279 H 69 CYH A 89 CYH^? H 107 HIS A 88 HIS^? H 122 ASP A 99 ASP^? ULMNm 3 1e2t_c04 N-HYDROXYARYLAMINE O-ACETYLTRANSFERAuser 1 3 RMSD = 1.11 A TRANSFORM -0.2810 -0.6001 0.7489 0.7798 0.3121 0.5427 -0.5594 0.7365 0.3803 44.469 63.010 2.737 E 69 CYH A 89 CYH^? E 107 HIS A 88 HIS^? E 122 ASP A 99 ASP^? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 5 3 RMSD = 1.12 A TRANSFORM 0.9781 -0.0795 0.1923 -0.1065 -0.9852 0.1343 0.1788 -0.1519 -0.9721 -23.147 -1.807 -39.020 B 250 ALA A 165 ALA~? B 251 GLY A 162 GLY~? B 252 ASP A 163 ASP~? ULMNm 3 1e2t_c03 N-HYDROXYARYLAMINE O-ACETYLTRANSFERAuser 1 3 RMSD = 1.12 A TRANSFORM 0.0954 0.9035 0.4178 -0.5661 0.3945 -0.7238 -0.8188 -0.1675 0.5491 65.121 96.702 72.826 D 69 CYH A 89 CYH^? D 107 HIS A 88 HIS^? D 122 ASP A 99 ASP^? ULMNm 3 1e2t_c02 N-HYDROXYARYLAMINE O-ACETYLTRANSFERAuser 1 3 RMSD = 1.12 A TRANSFORM 0.3426 -0.9395 -0.0045 -0.7449 -0.2687 -0.6107 0.5725 0.2126 -0.7918 107.749 111.291 69.428 C 69 CYH A 89 CYH^? C 107 HIS A 88 HIS^? C 122 ASP A 99 ASP^? ULMNm 3 3o4g_o02 ACYLAMINO-ACID-RELEASING ENZYME user 1 3 RMSD = 1.13 A TRANSFORM 0.3870 -0.4104 -0.8257 0.9214 0.2063 0.3293 0.0352 -0.8883 0.4580 -28.280 -37.364 80.160 C 445 SER A 34 SER~? C 524 ASP A 99 ASP^? C 556 HIS A 88 HIS^? ULMNm 3 3o4g_o00 ACYLAMINO-ACID-RELEASING ENZYME user 1 3 RMSD = 1.14 A TRANSFORM -0.5150 -0.8571 0.0153 -0.8494 0.5126 0.1254 -0.1153 0.0516 -0.9920 55.353 20.193 3.628 A 445 SER A 34 SER~? A 524 ASP A 99 ASP^? A 556 HIS A 88 HIS^? ULMNm 3 3o4g_o00 ACYLAMINO-ACID-RELEASING ENZYME user 1 3 RMSD = 1.14 A TRANSFORM -0.5150 -0.8571 0.0153 -0.8494 0.5126 0.1254 -0.1153 0.0516 -0.9920 55.353 20.193 3.628 A 445 SER A 34 SER~? A 524 ASP A 99 ASP^? A 556 HIS A 88 HIS^? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 3 3 RMSD = 1.14 A TRANSFORM 0.8887 -0.4080 0.2093 0.0737 0.5775 0.8131 -0.4526 -0.7071 0.5433 28.009 -136.912 -99.867 A 420 ALA A 60 ALA^? B 182 GLY A 57 GLY^? B 183 GLY A 58 GLY^? ULMNm 3 1lij_c01 ADENOSINE KINASE user 5 3 RMSD = 1.14 A TRANSFORM -0.5548 0.2884 0.7804 -0.5547 -0.8273 -0.0886 0.6201 -0.4820 0.6190 149.732 56.639 -27.930 A 316 ALA A 165 ALA~? A 317 GLY A 162 GLY~? A 318 ASP A 163 ASP~? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 5 3 RMSD = 1.14 A TRANSFORM 0.2475 0.9380 0.2425 -0.9417 0.2918 -0.1675 -0.2279 -0.1869 0.9556 -3.873 17.452 -4.733 A 250 ALA A 165 ALA~? A 251 GLY A 162 GLY~? A 252 ASP A 163 ASP~? ULMNm 3 1qfm_c00 PROLYL OLIGOPEPTIDASE user 1 3 RMSD = 1.15 A TRANSFORM -0.0412 0.4662 0.8837 0.4598 0.7941 -0.3975 -0.8870 0.3900 -0.2471 13.881 4.557 97.193 A 554 SER A 34 SER~? A 641 ASP A 99 ASP^? A 680 HIS A 88 HIS^? ULMNm 3 1lio_c01 ADENOSINE KINASE user 5 3 RMSD = 1.15 A TRANSFORM 0.1629 -0.8896 -0.4268 -0.3706 0.3457 -0.8621 0.9144 0.2985 -0.2734 43.500 43.405 3.917 A 316 ALA A 165 ALA~? A 317 GLY A 162 GLY~? A 318 ASP A 163 ASP~? ULMNm 3 1a8q_c00 BROMOPEROXIDASE A1 user 1 3 RMSD = 1.16 A TRANSFORM 0.4355 0.3121 -0.8444 -0.8887 0.2982 -0.3481 0.1432 0.9020 0.4072 24.698 21.884 -32.730 94 SER A 34 SER~? 223 ASP A 99 ASP^? 252 HIS A 88 HIS^? ULMNm 3 2wwt_o05 INTRACELLULAR SUBTILISIN PROTEASE user 2 3 RMSD = 1.16 A TRANSFORM 0.7887 -0.3757 -0.4866 -0.3702 -0.9222 0.1119 -0.4908 0.0919 -0.8664 -90.159 55.566 59.831 F 49 ASP A 99 ASP^? F 86 HIS A 88 HIS^? F 250 ALA A 33 ALA~? ULMNm 3 1dwo_c01 HYDROXYNITRILE LYASE user 1 3 RMSD = 1.16 A TRANSFORM 0.7024 0.1481 -0.6962 -0.5956 -0.4132 -0.6889 -0.3897 0.8985 -0.2020 34.268 56.980 83.894 B 80 SER A 34 SER~? B 208 ASP A 99 ASP^? B 236 HIS A 88 HIS^? ULMNm 3 1sca_c00 SUBTILISIN CARLSBERG (E.C.3.4.21.62)user 1 3 RMSD = 1.17 A TRANSFORM 0.4029 -0.8006 0.4436 0.9083 0.4094 -0.0861 -0.1127 0.4376 0.8921 91.087 25.801 39.608 32 ASP A 99 ASP^? 64 HIS A 88 HIS^? 221 SER A 34 SER~? ULMNm 3 1azw_c00 PROLINE IMINOPEPTIDASE user 1 3 RMSD = 1.17 A TRANSFORM -0.8323 0.4816 0.2746 0.5528 0.6841 0.4759 0.0414 0.5479 -0.8355 41.122 -17.033 66.689 A 110 SER A 34 SER~? A 266 ASP A 99 ASP^? A 294 HIS A 88 HIS^? ULMNm 3 1nw9_c02 CASPASE 9, APOPTOSIS-RELATED CYSTEINuser 2 3 RMSD = 1.18 A TRANSFORM 0.6845 -0.0589 -0.7267 0.6051 -0.5101 0.6113 -0.4066 -0.8581 -0.3135 40.948 6.385 134.902 B 237 HIS A 88 HIS^? B 238 GLY A 58 GLY^? B 287 CYH A 89 CYH^? ULMNm 3 1dwo_c00 HYDROXYNITRILE LYASE user 1 3 RMSD = 1.18 A TRANSFORM 0.0225 0.9283 0.3711 0.0492 -0.3718 0.9270 0.9985 -0.0026 -0.0540 16.777 44.872 94.260 A 80 SER A 34 SER~? A 208 ASP A 99 ASP^? A 236 HIS A 88 HIS^? ULMNm 3 1t4c_c02 FORMYL-COENZYME A TRANSFERASE user 1 3 RMSD = 1.19 A TRANSFORM 0.5244 -0.6504 -0.5495 0.7886 0.1276 0.6015 -0.3211 -0.7488 0.5798 76.132 -38.681 41.566 A 261 GLY A 4 GLY.? B 17 GLN A 120 GLN^? B 140 GLU A 3 GLU.? ULMNm 3 1zoi_c01 ESTERASE user 1 3 RMSD = 1.19 A TRANSFORM 0.1586 0.9271 0.3397 0.1731 0.3126 -0.9340 -0.9720 0.2070 -0.1109 28.121 -8.892 54.947 B 97 SER A 34 SER~? B 227 ASP A 99 ASP^? B 256 HIS A 88 HIS^? ULMNm 3 1zoi_c00 ESTERASE user 1 3 RMSD = 1.20 A TRANSFORM 0.1811 0.9334 0.3099 0.7494 -0.3350 0.5711 0.6369 0.1287 -0.7601 27.624 6.881 41.943 A 97 SER A 34 SER~? A 227 ASP A 99 ASP^? A 256 HIS A 88 HIS^? ULMNm 3 1zoi_c02 ESTERASE user 1 3 RMSD = 1.20 A TRANSFORM 0.1900 0.9082 0.3728 -0.9362 0.0533 0.3473 0.2956 -0.4150 0.8605 28.485 10.925 63.906 C 97 SER A 34 SER~? C 227 ASP A 99 ASP^? C 256 HIS A 88 HIS^? ULMNm 3 2wwt_o04 INTRACELLULAR SUBTILISIN PROTEASE user 2 3 RMSD = 1.20 A TRANSFORM -0.2863 0.9067 0.3097 -0.8763 -0.3785 0.2980 0.3875 -0.1861 0.9029 -63.966 67.228 1.290 E 49 ASP A 99 ASP^? E 86 HIS A 88 HIS^? E 250 ALA A 33 ALA~? ULMNm 3 1pfq_c00 DIPEPTIDYL PEPTIDASE IV SOLUBLE FORMuser 1 3 RMSD = 1.21 A TRANSFORM 0.5786 -0.4149 0.7022 0.4000 -0.6059 -0.6876 0.7108 0.6788 -0.1847 -18.469 19.383 -35.644 A 630 SER A 34 SER~? A 708 ASP A 99 ASP^? A 740 HIS A 88 HIS^? ULMNm 3 1pfq_c01 DIPEPTIDYL PEPTIDASE IV SOLUBLE FORMuser 1 3 RMSD = 1.21 A TRANSFORM -0.6657 0.7264 -0.1711 -0.1021 -0.3157 -0.9433 -0.7392 -0.6105 0.2843 4.347 34.195 77.391 B 630 SER A 34 SER~? B 708 ASP A 99 ASP^? B 740 HIS A 88 HIS^? ULMNm 3 1ehy_c02 SOLUBLE EPOXIDE HYDROLASE user 2 3 RMSD = 1.21 A TRANSFORM -0.5767 0.7576 0.3057 0.7691 0.3773 0.5159 0.2755 0.5327 -0.8002 -8.853 -11.614 51.561 C 107 ASP A 99 ASP^? C 246 ASP A 73 ASP.? C 275 HIS A 88 HIS^? ULMNm 3 2wwt_o02 INTRACELLULAR SUBTILISIN PROTEASE user 3 3 RMSD = 1.21 A TRANSFORM -0.5819 -0.0403 -0.8122 0.4102 -0.8769 -0.2504 -0.7022 -0.4789 0.5268 84.184 11.490 44.362 C 49 ASP A 99 ASP^? C 86 HIS A 88 HIS^? C 250 ALA A 60 ALA^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 7 3 RMSD = 1.22 A TRANSFORM 0.5662 0.7277 -0.3872 0.3775 -0.6465 -0.6630 -0.7328 0.2292 -0.6407 -42.558 36.227 22.820 141 ASP A 138 ASP.? 166 GLY A 58 GLY^? 169 GLU A 146 GLU~? ULMNm 3 1a8s_c00 CHLOROPEROXIDASE F user 1 3 RMSD = 1.22 A TRANSFORM -0.8780 -0.4751 0.0591 -0.0689 0.2476 0.9664 -0.4738 0.8444 -0.2501 57.704 66.563 49.634 94 SER A 34 SER~? 224 ASP A 99 ASP^? 253 HIS A 88 HIS^? ULMNm 3 1c4x_c00 2-HYDROXY-6-OXO-6-PHENYLHEXA-2,4-DIEuser 1 3 RMSD = 1.23 A TRANSFORM -0.0307 -0.2372 0.9710 -0.3288 0.9198 0.2143 -0.9439 -0.3127 -0.1063 30.487 36.444 57.084 A 110 SER A 34 SER~? A 235 ASP A 99 ASP^? A 263 HIS A 88 HIS^? ULMNm 3 2wwt_o03 INTRACELLULAR SUBTILISIN PROTEASE user 2 3 RMSD = 1.23 A TRANSFORM -0.6831 0.5845 -0.4379 0.0689 0.6484 0.7581 0.7271 0.4877 -0.4832 41.654 -89.411 -48.194 D 49 ASP A 99 ASP^? D 86 HIS A 88 HIS^? D 250 ALA A 60 ALA^? ULMNm 3 1be1_c02 GLUTAMATE MUTASE user 2 3 RMSD = 1.23 A TRANSFORM 0.4625 0.8863 0.0246 0.8448 -0.4490 0.2910 0.2690 -0.1138 -0.9564 -53.441 -5.521 -1.621 14 ASP A 73 ASP.? 16 HIS A 74 HIS.? 67 GLY A 134 GLY.? ULMNm 3 1azw_c01 PROLINE IMINOPEPTIDASE user 1 3 RMSD = 1.24 A TRANSFORM 0.2248 -0.8111 -0.5400 0.9739 0.1687 0.1521 -0.0323 -0.5601 0.8278 73.930 -4.063 47.991 B 110 SER A 34 SER~? B 266 ASP A 99 ASP^? B 294 HIS A 88 HIS^? ULMNm 3 1a0j_c02 TRYPSIN user 1 3 RMSD = 1.24 A TRANSFORM 0.0574 -0.3716 0.9266 -0.2834 -0.8960 -0.3418 0.9573 -0.2430 -0.1567 36.565 86.775 54.401 C 57 HIS A 88 HIS^? C 102 ASP A 99 ASP^? C 195 SER A 34 SER~? ULMNm 3 1rtf_c03 TWO CHAIN TISSUE PLASMINOGEN ACTIVATuser 1 3 RMSD = 1.24 A TRANSFORM 0.7267 -0.2339 0.6459 0.6776 0.3993 -0.6176 -0.1135 0.8865 0.4487 -25.000 -1.626 8.678 B 57 HIS A 88 HIS^? B 102 ASP A 99 ASP^? B 195 SER A 34 SER~? ULMNm 3 2wwt_o00 INTRACELLULAR SUBTILISIN PROTEASE user 2 3 RMSD = 1.24 A TRANSFORM -0.1016 -0.6206 -0.7775 -0.6714 0.6195 -0.4067 0.7341 0.4807 -0.4796 54.280 -21.893 -14.374 A 49 ASP A 99 ASP^? A 86 HIS A 88 HIS^? A 250 ALA A 60 ALA^? ULMNm 3 2wwt_o00 INTRACELLULAR SUBTILISIN PROTEASE user 2 3 RMSD = 1.24 A TRANSFORM -0.1016 -0.6206 -0.7775 -0.6714 0.6195 -0.4067 0.7341 0.4807 -0.4796 54.280 -21.893 -14.374 A 49 ASP A 99 ASP^? A 86 HIS A 88 HIS^? A 250 ALA A 60 ALA^? ULMNm 3 1a0j_c00 TRYPSIN user 1 3 RMSD = 1.25 A TRANSFORM -0.7517 0.6123 0.2453 0.6109 0.7865 -0.0909 -0.2485 0.0815 -0.9652 23.434 -5.799 76.522 A 57 HIS A 88 HIS^? A 102 ASP A 99 ASP^? A 195 SER A 34 SER~? ULMNm 3 1a7u_c02 CHLOROPEROXIDASE T user 1 3 RMSD = 1.25 A TRANSFORM -0.6918 -0.2805 -0.6654 0.6864 -0.5415 -0.4854 -0.2241 -0.7925 0.5672 45.496 40.810 60.747 A 98 SER A 34 SER~? A 228 ASP A 99 ASP^? A 257 HIS A 88 HIS^? ULMNm 3 1a7u_c03 CHLOROPEROXIDASE T user 1 3 RMSD = 1.25 A TRANSFORM -0.5903 0.7681 -0.2481 0.0254 -0.2896 -0.9568 -0.8068 -0.5711 0.1514 25.408 87.313 45.635 B 98 SER A 34 SER~? B 228 ASP A 99 ASP^? B 257 HIS A 88 HIS^? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 3 3 RMSD = 1.25 A TRANSFORM 0.1041 -0.8983 -0.4270 0.9596 0.2035 -0.1943 0.2615 -0.3895 0.8831 85.779 -36.391 -1.325 A 67 ASP A 94 ASP.? A 68 ALA A 93 ALA^? A 72 LEU A 45 LEU~? ULMNm 3 2qs9_o00 RETINOBLASTOMA-BINDING PROTEIN 9 user 1 3 RMSD = 1.25 A TRANSFORM -0.7697 0.5046 0.3910 -0.4258 -0.8622 0.2744 0.4756 0.0447 0.8785 2.006 52.344 -8.554 A 75 SER A 34 SER~? A 138 ASP A 99 ASP^? A 165 HIS A 88 HIS^? ULMNm 3 1a0j_c03 TRYPSIN user 1 3 RMSD = 1.26 A TRANSFORM 0.9039 0.3744 -0.2069 0.4027 -0.9078 0.1168 -0.1440 -0.1889 -0.9714 -31.344 35.067 117.434 D 57 HIS A 88 HIS^? D 102 ASP A 99 ASP^? D 195 SER A 34 SER~? ULMNm 3 1d6o_c01 FK506-BINDING PROTEIN user 4 3 RMSD = 1.26 A TRANSFORM -0.3143 -0.8526 0.4174 -0.9283 0.1841 -0.3230 0.1986 -0.4890 -0.8494 98.593 12.790 -11.295 B 37 ASP A 99 ASP^? B 56 ILE A 15 ILE~? B 82 TYR A 12 TYR~? ULMNm 3 1a0j_c01 TRYPSIN user 1 3 RMSD = 1.27 A TRANSFORM 0.0555 -0.5424 -0.8383 -0.0281 -0.8401 0.5417 -0.9981 -0.0065 -0.0619 71.301 71.864 84.456 B 57 HIS A 88 HIS^? B 102 ASP A 99 ASP^? B 195 SER A 34 SER~? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 6 3 RMSD = 1.27 A TRANSFORM 0.0368 -0.9104 -0.4120 -0.9925 -0.0815 0.0913 -0.1167 0.4056 -0.9066 73.306 -80.146 -131.325 A 420 ALA A 147 ALA~? B 182 GLY A 84 GLY.? B 183 GLY A 82 GLY.? ULMNm 3 1lio_c01 ADENOSINE KINASE user 3 3 RMSD = 1.27 A TRANSFORM 0.7743 0.0118 0.6327 -0.4795 -0.6416 0.5987 0.4130 -0.7669 -0.4911 -18.202 51.926 64.241 A 316 ALA A 93 ALA^? A 317 GLY A 95 GLY.? A 318 ASP A 94 ASP.? ULMNm 3 2qs9_o01 RETINOBLASTOMA-BINDING PROTEIN 9 user 1 3 RMSD = 1.27 A TRANSFORM 0.9021 0.1068 0.4182 0.0178 0.9589 -0.2833 -0.4312 0.2630 0.8631 -28.419 20.512 1.543 B 75 SER A 34 SER~? B 138 ASP A 99 ASP^? B 165 HIS A 88 HIS^? ULMNm 3 2lip_c00 LIPASE user 1 3 RMSD = 1.29 A TRANSFORM -0.6821 -0.4206 -0.5982 -0.3642 -0.5141 0.7766 -0.6342 0.7475 0.1975 50.094 46.792 13.820 87 SER A 34 SER~? 264 ASP A 99 ASP^? 286 HIS A 88 HIS^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 1 3 RMSD = 1.30 A TRANSFORM 0.9702 0.2035 0.1316 0.1762 -0.2195 -0.9596 -0.1664 0.9542 -0.2488 -43.996 32.149 -19.888 141 ASP A 94 ASP.? 166 GLY A 57 GLY^? 169 GLU A 146 GLU~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 4 3 RMSD = 1.30 A TRANSFORM -0.4753 -0.1656 0.8641 0.7673 -0.5587 0.3150 0.4306 0.8127 0.3925 51.320 23.858 -43.841 A 229 ALA A 61 ALA^? A 257 ALA A 60 ALA^? A 328 ASP A 99 ASP^? ULMNm 3 2wwt_o01 INTRACELLULAR SUBTILISIN PROTEASE user 3 3 RMSD = 1.30 A TRANSFORM -0.4716 0.8352 0.2828 -0.5411 -0.0209 -0.8407 -0.6962 -0.5495 0.4618 -42.560 21.886 82.861 B 49 ASP A 99 ASP^? B 86 HIS A 88 HIS^? B 250 ALA A 60 ALA^? ULMNm 3 1lio_c01 ADENOSINE KINASE user 2 3 RMSD = 1.31 A TRANSFORM -0.0647 0.7908 -0.6086 0.3131 -0.5630 -0.7648 -0.9475 -0.2400 -0.2112 7.332 44.034 67.863 A 316 ALA A 83 ALA.? A 317 GLY A 82 GLY.? A 318 ASP A 73 ASP.? ULMNm 3 2wwt_o03 INTRACELLULAR SUBTILISIN PROTEASE user 1 3 RMSD = 1.32 A TRANSFORM -0.4168 -0.9056 0.0781 0.8174 -0.4110 -0.4037 0.3977 -0.1045 0.9116 81.773 -63.305 -29.674 D 49 ASP A 99 ASP^? D 86 HIS A 88 HIS^? D 250 ALA A 33 ALA~? ULMNm 3 2wwt_o00 INTRACELLULAR SUBTILISIN PROTEASE user 1 3 RMSD = 1.33 A TRANSFORM -0.8360 0.3598 0.4144 -0.3664 -0.9281 0.0667 0.4086 -0.0961 0.9077 30.273 19.484 3.530 A 49 ASP A 99 ASP^? A 86 HIS A 88 HIS^? A 250 ALA A 33 ALA~? ULMNm 3 2wwt_o00 INTRACELLULAR SUBTILISIN PROTEASE user 1 3 RMSD = 1.33 A TRANSFORM -0.8360 0.3598 0.4144 -0.3664 -0.9281 0.0667 0.4086 -0.0961 0.9077 30.273 19.484 3.530 A 49 ASP A 99 ASP^? A 86 HIS A 88 HIS^? A 250 ALA A 33 ALA~? ULMNm 3 1ukf_o00 AVIRULENCE PROTEIN AVRPPH3 user 1 3 RMSD = 1.34 A TRANSFORM -0.8827 0.2766 -0.3799 -0.3268 0.2197 0.9192 0.3378 0.9355 -0.1036 55.761 30.432 3.260 A 98 CYH A 89 CYH^? A 212 HIS A 88 HIS^? A 227 ASP A 99 ASP^? ULMNm 3 1uk7_c00 3.07.01.0009 user 1 3 RMSD = 1.34 A TRANSFORM -0.5094 -0.5095 0.6935 0.8489 -0.1655 0.5020 -0.1410 0.8444 0.5168 37.070 18.834 -40.690 A 103 ALA A 60 ALA^? A 224 ASP A 99 ASP^? A 252 HIS A 88 HIS^? ULMNm 3 1ct9_c04 ASPARAGINE SYNTHETASE B user 1 3 RMSD = 1.34 A TRANSFORM -0.3821 -0.6956 -0.6084 0.8397 -0.5362 0.0856 -0.3858 -0.4782 0.7890 39.046 65.770 144.188 A 1 ALA A 72 ALA.? A 74 ASN A 86 ASN.? A 75 GLY A 84 GLY.? ULMNm 3 1lij_c01 ADENOSINE KINASE user 2 3 RMSD = 1.35 A TRANSFORM 0.5742 -0.2169 0.7894 0.6515 0.7051 -0.2801 -0.4958 0.6751 0.5462 134.398 -14.223 -23.361 A 316 ALA A 83 ALA.? A 317 GLY A 82 GLY.? A 318 ASP A 73 ASP.? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 4 3 RMSD = 1.35 A TRANSFORM 0.9351 -0.0747 -0.3463 0.2404 0.8518 0.4654 0.2602 -0.5184 0.8146 24.137 -145.439 -128.175 A 420 ALA A 72 ALA.? B 182 GLY A 57 GLY^? B 183 GLY A 58 GLY^? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 2 3 RMSD = 1.36 A TRANSFORM -0.3545 -0.8280 0.4344 0.8582 -0.4726 -0.2005 0.3713 0.3017 0.8781 56.786 -13.249 -28.573 A 250 ALA A 83 ALA.? A 251 GLY A 82 GLY.? A 252 ASP A 73 ASP.? ULMNm 3 1rgq_c01 NS4A PEPTIDE user 1 3 RMSD = 1.36 A TRANSFORM 0.8643 -0.5029 -0.0008 -0.1090 -0.1888 0.9760 -0.4910 -0.8435 -0.2180 11.911 19.946 29.411 B 60 HIS A 88 HIS^? B 84 ASP A 99 ASP^? B 140 GLY A 82 GLY.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 4 3 RMSD = 1.36 A TRANSFORM 0.3928 0.8748 -0.2837 0.6225 -0.4800 -0.6181 -0.6769 0.0662 -0.7331 -45.357 24.641 28.911 141 ASP A 132 ASP.? 166 GLY A 58 GLY^? 169 GLU A 146 GLU~? ULMNm 3 2wwt_o02 INTRACELLULAR SUBTILISIN PROTEASE user 2 3 RMSD = 1.36 A TRANSFORM -0.8791 -0.3789 0.2891 -0.3183 0.9182 0.2357 -0.3548 0.1152 -0.9278 94.742 -35.009 25.806 C 49 ASP A 99 ASP^? C 86 HIS A 88 HIS^? C 250 ALA A 33 ALA~? ULMNm 3 2wwt_o01 INTRACELLULAR SUBTILISIN PROTEASE user 2 3 RMSD = 1.38 A TRANSFORM 0.2746 -0.9171 -0.2891 -0.8778 -0.3618 0.3140 -0.3926 0.1676 -0.9043 2.648 33.298 60.313 B 49 ASP A 99 ASP^? B 86 HIS A 88 HIS^? B 250 ALA A 33 ALA~? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 2 3 RMSD = 1.38 A TRANSFORM -0.9285 0.2712 0.2535 0.2632 0.9625 -0.0656 -0.2618 0.0058 -0.9651 20.819 -58.969 -35.138 B 250 ALA A 83 ALA.? B 251 GLY A 82 GLY.? B 252 ASP A 73 ASP.? ULMNm 3 1ct9_c05 ASPARAGINE SYNTHETASE B user 1 3 RMSD = 1.39 A TRANSFORM 0.0971 -0.9953 0.0046 -0.0537 -0.0006 0.9986 -0.9938 -0.0972 -0.0535 77.117 8.487 52.976 B 1 ALA A 72 ALA.? B 74 ASN A 86 ASN.? B 75 GLY A 84 GLY.? ULMNm 3 1qj4_c00 HYDROXYNITRILE LYASE user 1 3 RMSD = 1.40 A TRANSFORM 0.5225 0.7791 -0.3464 -0.5597 0.6199 0.5500 0.6433 -0.0935 0.7599 -21.453 40.329 -7.178 A 80 SER A 34 SER~? A 207 ASP A 99 ASP^? A 235 HIS A 88 HIS^? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 1 3 RMSD = 1.41 A TRANSFORM 0.2692 0.6983 0.6633 0.2431 0.6171 -0.7484 -0.9319 0.3627 -0.0036 5.822 -121.832 -121.143 A 420 ALA A 31 ALA~? B 182 GLY A 82 GLY.? B 183 GLY A 84 GLY.? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 4 3 RMSD = 1.41 A TRANSFORM 0.6300 0.2699 0.7282 -0.4771 -0.6054 0.6371 0.6128 -0.7488 -0.2526 21.737 50.381 30.352 A 67 ASP A 110 ASP~? A 68 ALA A 111 ALA~? A 72 LEU A 112 LEU~? ULMNm 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 1 3 RMSD = 1.42 A TRANSFORM -0.2305 -0.9604 0.1565 0.7635 -0.2782 -0.5829 0.6033 -0.0149 0.7973 47.297 82.763 -17.882 193 ASP A 163 ASP~? 231 ASP A 29 ASP~? 294 ASP A 189 ASP.? ULMNm 3 1fr8_c01 BETA 1,4 GALACTOSYLTRANSFERASE user 1 3 RMSD = 1.43 A TRANSFORM -0.4008 0.5086 0.7621 0.3045 -0.7106 0.6343 0.8641 0.4863 0.1299 -3.853 12.839 -25.839 B 317 GLU A 3 GLU.? B 319 ASP A 11 ASP~? B 359 ARG A 14 ARG~? ULMNm 3 1ct9_c06 ASPARAGINE SYNTHETASE B user 1 3 RMSD = 1.43 A TRANSFORM -0.6339 0.7195 0.2837 -0.6828 -0.3483 -0.6422 -0.3633 -0.6008 0.7121 -1.491 48.589 63.068 C 1 ALA A 72 ALA.? C 74 ASN A 86 ASN.? C 75 GLY A 84 GLY.? ULMNm 3 1rgq_c01 NS4A PEPTIDE user 2 3 RMSD = 1.44 A TRANSFORM -0.2119 0.3811 0.8999 0.5956 0.7804 -0.1902 -0.7748 0.4957 -0.3924 5.532 -27.285 -8.748 B 60 HIS A 88 HIS^? B 84 ASP A 99 ASP^? B 140 GLY A 108 GLY.? ULMNm 3 1ct9_c07 ASPARAGINE SYNTHETASE B user 1 3 RMSD = 1.45 A TRANSFORM -0.1744 0.4359 0.8829 -0.1429 0.8760 -0.4607 -0.9743 -0.2065 -0.0905 -33.904 13.257 146.228 D 1 ALA A 72 ALA.? D 74 ASN A 86 ASN.? D 75 GLY A 84 GLY.? ULMNm 3 2z3x_d00 DNA BINDING PROTEIN/DNA user 2 3 RMSD = 1.45 A TRANSFORM 0.4037 -0.7661 -0.5001 0.9140 0.3612 0.1846 0.0392 -0.5316 0.8461 -15.696 -9.055 80.522 B 34 SER A 21 SER~? B 37 ASN A 20 ASN~? B 45 THR A 39 THR~? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 5 3 RMSD = 1.46 A TRANSFORM 0.6207 -0.6545 0.4317 0.1217 -0.4635 -0.8777 0.7746 0.5973 -0.2081 39.998 -75.263 -165.555 A 420 ALA A 147 ALA~? B 182 GLY A 57 GLY^? B 183 GLY A 58 GLY^? ULMNm 3 2bsq_d00 TRANSCRIPTION user 1 3 RMSD = 1.46 A TRANSFORM -0.4284 0.7629 -0.4842 -0.7344 -0.6062 -0.3053 -0.5265 0.2248 0.8199 -3.760 22.913 51.444 E 3 SER A 21 SER~? E 5 VAL A 195 VAL^? E 7 ARG A 193 ARG^? ULMNm 3 2z3x_d00 DNA BINDING PROTEIN/DNA user 6 3 RMSD = 1.46 A TRANSFORM -0.6037 -0.5520 0.5751 -0.5659 0.8049 0.1786 -0.5615 -0.2176 -0.7983 7.872 49.550 111.349 B 34 SER A 166 SER~? B 37 ASN A 170 ASN~? B 45 THR A 194 THR^? ULMNm 3 3nwu_o00 SERINE PROTEASE HTRA1 user 1 3 RMSD = 1.46 A TRANSFORM 0.2664 0.9637 0.0160 0.8124 -0.2334 0.5343 0.5187 -0.1293 -0.8451 -75.028 20.980 -11.454 A 220 HIS A 88 HIS^? A 250 ASP A 99 ASP^? A 328 SER A 143 SER^? ULMNm 3 1vom_c00 MYOSIN user 1 3 RMSD = 1.46 A TRANSFORM 0.7968 -0.4850 0.3604 -0.3464 0.1221 0.9301 -0.4951 -0.8659 -0.0708 40.446 50.381 19.845 233 ASN A 20 ASN~? 457 GLY A 199 GLY.? 459 GLU A 200 GLU.? ULMNm 3 2c7v_c09 PTERIDINE REDUCTASE user 1 3 RMSD = 1.47 A TRANSFORM -0.0288 -0.9915 0.1267 -0.8025 -0.0526 -0.5943 0.5959 -0.1189 -0.7942 21.839 47.690 1.648 B 14 ARG A 142 ARG^? B 161 ASP A 99 ASP^? B 174 TYR A 62 TYR^? ULMNm 3 1be1_c02 GLUTAMATE MUTASE user 4 3 RMSD = 1.47 A TRANSFORM 0.8286 0.4261 0.3631 -0.0612 0.7137 -0.6978 -0.5565 0.5560 0.6174 -41.355 -8.115 -12.780 14 ASP A 154 ASP~? 16 HIS A 156 HIS~? 67 GLY A 41 GLY~? ULMNm 3 2c7v_c08 PTERIDINE REDUCTASE user 1 3 RMSD = 1.48 A TRANSFORM -0.3264 0.8483 0.4171 0.8544 0.0761 0.5139 0.4042 0.5241 -0.7496 -21.903 -44.100 -8.838 A 14 ARG A 142 ARG^? A 161 ASP A 99 ASP^? A 174 TYR A 62 TYR^? ULMNm 3 2z3x_d00 DNA BINDING PROTEIN/DNA user 5 3 RMSD = 1.48 A TRANSFORM 0.8893 0.4563 0.0305 0.1609 -0.3746 0.9131 0.4281 -0.8071 -0.4065 -76.226 46.572 99.490 B 34 SER A 136 SER.? B 37 ASN A 63 ASN^? B 45 THR A 109 THR~? ULMNm 3 1xqw_c00 PROLINE IMINOPEPTIDASE user 1 3 RMSD = 1.48 A TRANSFORM -0.2679 0.9381 -0.2196 0.3044 -0.1338 -0.9431 -0.9141 -0.3195 -0.2497 -12.723 12.334 48.738 A 105 ALA A 60 ALA^? A 244 ASP A 99 ASP^? A 271 HIS A 88 HIS^? ULMNm 3 1pnl_c00 PENICILLIN AMIDOHYDROLASE user 3 3 RMSD = 1.48 A TRANSFORM -0.1058 -0.7079 0.6984 0.4971 -0.6459 -0.5794 0.8612 0.2859 0.4202 19.028 38.906 -15.263 B 1 SER A 166 SER~? B 69 ALA A 169 ALA~? B 241 ASN A 170 ASN~? ULMNm 3 2c7v_c11 PTERIDINE REDUCTASE user 1 3 RMSD = 1.48 A TRANSFORM 0.3501 -0.8406 -0.4133 0.8018 0.0408 0.5962 -0.4842 -0.5401 0.6883 4.803 -41.393 50.555 D 14 ARG A 142 ARG^? D 161 ASP A 99 ASP^? D 174 TYR A 62 TYR^? ULMNm 3 2r11_o01 CARBOXYLESTERASE NP user 12 3 RMSD = 1.48 A TRANSFORM 0.9919 0.0977 -0.0808 -0.1234 0.5966 -0.7930 -0.0292 0.7966 0.6038 -57.642 43.870 65.729 B 130 SER A 38 SER~? B 166 PHE A 152 PHE~? B 182 PHE A 87 PHE.? ULMNm 3 3nwu_o01 SERINE PROTEASE HTRA1 user 1 3 RMSD = 1.49 A TRANSFORM -0.4020 0.1467 0.9038 0.3385 0.9410 -0.0022 -0.8508 0.3050 -0.4279 -63.351 20.186 1.506 B 220 HIS A 88 HIS^? B 250 ASP A 99 ASP^? B 328 SER A 143 SER^? ULMNm 3 1lio_c01 ADENOSINE KINASE user 4 3 RMSD = 1.49 A TRANSFORM 0.9068 -0.1948 -0.3739 0.1573 -0.6665 0.7287 -0.3912 -0.7196 -0.5738 3.851 17.585 71.910 A 316 ALA A 159 ALA~? A 317 GLY A 162 GLY~? A 318 ASP A 163 ASP~? ULMNm 3 1eag_c04 PEPTIDE INHIBITOR user 1 3 RMSD = 1.49 A TRANSFORM -0.2726 0.7796 -0.5638 -0.3260 0.4765 0.8165 0.9052 0.4064 0.1243 20.610 -7.080 -40.103 A 32 ASP A 132 ASP.? A 35 SER A 129 SER.? A 218 ASP A 138 ASP.? ULMNm 3 2c7v_c10 PTERIDINE REDUCTASE user 1 3 RMSD = 1.49 A TRANSFORM 0.0135 0.9898 -0.1416 -0.8535 -0.0624 -0.5174 -0.5210 0.1279 0.8439 -36.598 49.712 30.822 C 14 ARG A 142 ARG^? C 161 ASP A 99 ASP^? C 174 TYR A 62 TYR^? ULMNm 3 1cms_c04 CHYMOSIN B (FORMERLY KNOWN AS RENNINuser 1 3 RMSD = 1.50 A TRANSFORM 0.1620 0.9200 0.3569 -0.2218 0.3864 -0.8953 -0.9615 0.0658 0.2667 -43.080 24.645 47.636 34 ASP A 132 ASP.? 37 SER A 129 SER.? 216 ASP A 138 ASP.? ULMNm 3 2r11_o02 CARBOXYLESTERASE NP user 19 3 RMSD = 1.50 A TRANSFORM 0.4918 0.1961 0.8483 0.2114 0.9183 -0.3348 -0.8446 0.3440 0.4101 -39.645 31.169 51.977 C 130 SER A 143 SER^? C 166 PHE A 87 PHE.? C 182 PHE A 152 PHE~?