*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 4 1cmx_c00 UBIQUITIN YUH1-UBAL user 1 4 RMSD = 0.22 A TRANSFORM -0.2051 0.9130 -0.3527 -0.5753 0.1791 0.7981 0.7918 0.3666 0.4885 15.661 58.195 -49.399 A 84 GLN A 64 GLN.? A 90 CYH A 72 CYH~? A 166 HIS A 200 HIS^? A 181 ASP A 216 ASP.? ULMNm 4 1cmx_c01 UBIQUITIN YUH1-UBAL user 1 4 RMSD = 0.24 A TRANSFORM 0.2945 -0.8425 0.4511 0.6159 -0.1937 -0.7637 0.7307 0.5027 0.4618 115.024 11.237 -54.963 C 484 GLN A 64 GLN.? C 490 CYH A 72 CYH~? C 566 HIS A 200 HIS^? C 581 ASP A 216 ASP.? ULMNm 4 1uch_c00 UBIQUITIN C-TERMINAL HYDROLASE UCH-Luser 1 4 RMSD = 0.65 A TRANSFORM -0.7183 0.1768 -0.6729 0.6722 0.4259 -0.6056 0.1795 -0.8873 -0.4247 69.741 -26.638 87.212 89 GLN A 64 GLN.? 95 CYH A 72 CYH~? 169 HIS A 200 HIS^? 184 ASP A 216 ASP.? ULMNm 3 1ukf_o00 AVIRULENCE PROTEIN AVRPPH3 user 1 3 RMSD = 0.18 A TRANSFORM -0.5863 0.6961 0.4143 0.7574 0.2899 0.5850 0.2872 0.6568 -0.6972 27.703 -9.313 -0.749 A 98 CYH A 72 CYH~? A 212 HIS A 200 HIS^? A 227 ASP A 216 ASP.? ULMNm 3 9pap_c01 PAPAIN user 1 3 RMSD = 0.42 A TRANSFORM 0.3920 -0.3749 -0.8401 0.3084 -0.8068 0.5039 -0.8667 -0.4567 -0.2006 28.573 94.176 82.618 19 GLN A 64 GLN.? 25 CYH A 72 CYH~? 159 HIS A 200 HIS^? ULMNm 3 1e2t_c04 N-HYDROXYARYLAMINE O-ACETYLTRANSFERAuser 1 3 RMSD = 0.62 A TRANSFORM 0.3565 -0.5001 0.7892 0.8299 -0.2184 -0.5133 0.4291 0.8379 0.3372 32.395 75.926 -44.133 E 69 CYH A 72 CYH~? E 107 HIS A 200 HIS^? E 122 ASP A 216 ASP.? ULMNm 3 1e2t_c00 N-HYDROXYARYLAMINE O-ACETYLTRANSFERAuser 1 3 RMSD = 0.64 A TRANSFORM -0.2926 0.4902 -0.8211 0.8452 -0.2691 -0.4618 -0.4473 -0.8291 -0.3355 99.054 74.450 130.129 A 69 CYH A 72 CYH~? A 107 HIS A 200 HIS^? A 122 ASP A 216 ASP.? ULMNm 3 1e2t_c01 N-HYDROXYARYLAMINE O-ACETYLTRANSFERAuser 1 3 RMSD = 0.65 A TRANSFORM -0.1998 -0.1682 0.9653 0.6457 -0.7636 0.0006 0.7369 0.6235 0.2612 87.651 94.710 5.448 B 69 CYH A 72 CYH~? B 107 HIS A 200 HIS^? B 122 ASP A 216 ASP.? ULMNm 3 1e2t_c06 N-HYDROXYARYLAMINE O-ACETYLTRANSFERAuser 1 3 RMSD = 0.65 A TRANSFORM -0.7908 -0.5794 0.1974 -0.5959 0.8024 -0.0315 -0.1401 -0.1425 -0.9798 93.651 76.452 49.638 G 69 CYH A 72 CYH~? G 107 HIS A 200 HIS^? G 122 ASP A 216 ASP.? ULMNm 3 1e2t_c05 N-HYDROXYARYLAMINE O-ACETYLTRANSFERAuser 1 3 RMSD = 0.65 A TRANSFORM 0.2495 0.0976 -0.9634 0.6377 -0.7652 0.0877 -0.7287 -0.6363 -0.2532 46.381 95.498 79.775 F 69 CYH A 72 CYH~? F 107 HIS A 200 HIS^? F 122 ASP A 216 ASP.? ULMNm 3 1e2t_c02 N-HYDROXYARYLAMINE O-ACETYLTRANSFERAuser 1 3 RMSD = 0.67 A TRANSFORM -0.2528 -0.9647 0.0744 -0.8584 0.2591 0.4428 -0.4464 0.0481 -0.8935 143.783 99.432 102.296 C 69 CYH A 72 CYH~? C 107 HIS A 200 HIS^? C 122 ASP A 216 ASP.? ULMNm 3 1e2t_c03 N-HYDROXYARYLAMINE O-ACETYLTRANSFERAuser 1 3 RMSD = 0.67 A TRANSFORM 0.7378 0.6323 -0.2364 -0.6508 0.7593 -0.0001 0.1795 0.1539 0.9717 39.655 77.878 33.752 D 69 CYH A 72 CYH~? D 107 HIS A 200 HIS^? D 122 ASP A 216 ASP.? ULMNm 3 1e2t_c07 N-HYDROXYARYLAMINE O-ACETYLTRANSFERAuser 1 3 RMSD = 0.68 A TRANSFORM 0.2033 0.9783 -0.0390 -0.8786 0.1999 0.4337 0.4321 -0.0539 0.9002 -10.819 104.952 -16.377 H 69 CYH A 72 CYH~? H 107 HIS A 200 HIS^? H 122 ASP A 216 ASP.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 6 3 RMSD = 0.98 A TRANSFORM 0.0115 0.9669 0.2549 0.9434 -0.0950 0.3178 0.3315 0.2368 -0.9133 -53.451 -24.972 -8.831 141 ASP A 192 ASP^? 166 GLY A 117 GLY.? 169 GLU A 124 GLU.? ULMNm 3 1ssx_c02 ALPHA-LYTIC PROTEASE user 2 3 RMSD = 0.99 A TRANSFORM 0.8003 0.3073 -0.5148 0.0891 0.7881 0.6090 0.5929 -0.5333 0.6034 -36.620 -27.135 12.784 A 57 HIS A 131 HIS~? A 102 ASP A 148 ASP^? A 193 GLY A 239 GLY.? ULMNm 3 1rgq_c01 NS4A PEPTIDE user 3 3 RMSD = 1.01 A TRANSFORM -0.2218 -0.2192 -0.9501 0.4362 -0.8938 0.1044 -0.8721 -0.3913 0.2938 38.694 43.616 40.677 B 60 HIS A 200 HIS^? B 84 ASP A 216 ASP.? B 140 GLY A 128 GLY.? ULMNm 3 1rtf_c06 TWO CHAIN TISSUE PLASMINOGEN ACTIVATuser 2 3 RMSD = 1.02 A TRANSFORM 0.8122 -0.0941 -0.5757 0.5405 0.4928 0.6819 0.2195 -0.8650 0.4511 -33.363 -35.658 75.527 B 57 HIS A 131 HIS~? B 102 ASP A 148 ASP^? B 193 GLY A 239 GLY.? ULMNm 3 1a0j_c14 TRYPSIN user 2 3 RMSD = 1.02 A TRANSFORM 0.2203 -0.4764 -0.8512 -0.5849 0.6338 -0.5062 0.7806 0.6093 -0.1390 60.263 40.766 0.947 C 57 HIS A 131 HIS~? C 102 ASP A 148 ASP^? C 193 GLY A 239 GLY.? ULMNm 3 1a0j_c12 TRYPSIN user 2 3 RMSD = 1.03 A TRANSFORM -0.4817 -0.7889 0.3815 0.7300 -0.1204 0.6728 -0.4849 0.6026 0.6339 90.118 3.330 44.518 A 57 HIS A 131 HIS~? A 102 ASP A 148 ASP^? A 193 GLY A 239 GLY.? ULMNm 3 1a0j_c15 TRYPSIN user 2 3 RMSD = 1.05 A TRANSFORM 0.8726 0.2861 0.3958 0.1869 0.5532 -0.8118 -0.4512 0.7824 0.4293 -56.702 -16.194 69.081 D 57 HIS A 131 HIS~? D 102 ASP A 148 ASP^? D 193 GLY A 239 GLY.? ULMNm 3 2pth_c00 PEPTIDYL-TRNA HYDROLASE user 1 3 RMSD = 1.05 A TRANSFORM -0.0150 0.9811 0.1928 -0.9682 -0.0625 0.2424 0.2499 -0.1830 0.9508 -10.350 88.375 32.591 10 ASN A 112 ASN.? 20 HIS A 131 HIS~? 93 ASP A 148 ASP^? ULMNm 3 2lpr_c02 ALPHA-LYTIC PROTEASE user 2 3 RMSD = 1.06 A TRANSFORM 0.7952 0.3026 -0.5254 0.1037 0.7858 0.6097 0.5974 -0.5393 0.5935 -36.023 -27.732 12.987 A 57 HIS A 131 HIS~? A 102 ASP A 148 ASP^? A 193 GLY A 239 GLY.? ULMNm 3 1bhg_c02 BETA-GLUCURONIDASE user 2 3 RMSD = 1.07 A TRANSFORM -0.4680 -0.6741 0.5715 0.8627 -0.4887 0.1299 0.1917 0.5538 0.8103 132.784 69.004 47.938 A 451 GLU A 73 GLU~? A 504 TYR A 130 TYR~? A 540 GLU A 199 GLU^? ULMNm 3 1a0j_c13 TRYPSIN user 2 3 RMSD = 1.07 A TRANSFORM -0.3179 0.9464 0.0572 -0.0765 0.0345 -0.9965 -0.9450 -0.3211 0.0614 5.752 59.191 117.964 B 57 HIS A 131 HIS~? B 102 ASP A 148 ASP^? B 193 GLY A 239 GLY.? ULMNm 3 1bp2_c00 PHOSPHOLIPASE A2 (E.C.3.1.1.4) (PHOSuser 1 3 RMSD = 1.12 A TRANSFORM -0.7696 0.6364 -0.0524 0.4781 0.5198 -0.7080 -0.4233 -0.5699 -0.7043 21.815 -35.883 70.601 30 GLY A 71 GLY~? 48 HIS A 200 HIS^? 99 ASP A 216 ASP.? ULMNm 3 1bhg_c02 BETA-GLUCURONIDASE user 1 3 RMSD = 1.13 A TRANSFORM -0.2921 -0.8096 -0.5091 0.7172 -0.5376 0.4434 -0.6327 -0.2356 0.7377 136.993 76.478 124.403 A 451 GLU A 73 GLU~? A 504 TYR A 127 TYR.? A 540 GLU A 199 GLU^? ULMNm 3 1qol_c01 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 1.13 A TRANSFORM -0.7474 -0.2775 0.6037 0.1593 0.8073 0.5683 -0.6450 0.5209 -0.5591 14.234 -25.889 50.555 B 51 ALA A 173 ALA.? B 148 HIS A 200 HIS^? B 163 ASP A 216 ASP.? ULMNm 3 1qol_c02 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 1.13 A TRANSFORM -0.5039 -0.0113 0.8637 -0.6242 -0.6863 -0.3733 0.5970 -0.7272 0.3388 -0.837 40.374 36.384 C 51 ALA A 173 ALA.? C 148 HIS A 200 HIS^? C 163 ASP A 216 ASP.? ULMNm 3 1s3i_c00 10-FORMYLTETRAHYDROFOLATE DEHYDROGENuser 1 3 RMSD = 1.14 A TRANSFORM 0.0265 0.5154 -0.8566 0.3258 0.8056 0.4948 0.9451 -0.2921 -0.1466 -38.899 -3.483 -5.782 A 104 ILE A 243 ILE^? A 106 HIS A 131 HIS~? A 142 ASP A 148 ASP^? ULMNm 3 1qol_c04 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 1.17 A TRANSFORM 0.2100 0.7824 0.5863 -0.8126 -0.1937 0.5497 0.5436 -0.5919 0.5951 -40.805 30.222 -36.362 E 51 ALA A 173 ALA.? E 148 HIS A 200 HIS^? E 163 ASP A 216 ASP.? ULMNm 3 1rtf_c06 TWO CHAIN TISSUE PLASMINOGEN ACTIVATuser 3 3 RMSD = 1.17 A TRANSFORM 0.9320 0.1386 -0.3348 -0.2937 -0.2522 -0.9220 -0.2123 0.9577 -0.1943 -54.544 50.604 4.495 B 57 HIS A 200 HIS^? B 102 ASP A 216 ASP.? B 193 GLY A 71 GLY~? ULMNm 3 1ssx_c02 ALPHA-LYTIC PROTEASE user 3 3 RMSD = 1.17 A TRANSFORM 0.8567 -0.2392 -0.4571 -0.4939 -0.6359 -0.5930 -0.1488 0.7338 -0.6629 -13.176 81.271 -11.997 A 57 HIS A 200 HIS^? A 102 ASP A 216 ASP.? A 193 GLY A 71 GLY~? ULMNm 3 2lpr_c02 ALPHA-LYTIC PROTEASE user 3 3 RMSD = 1.17 A TRANSFORM 0.8626 -0.2373 -0.4468 -0.4867 -0.6303 -0.6048 -0.1381 0.7392 -0.6592 -13.553 80.652 -12.771 A 57 HIS A 200 HIS^? A 102 ASP A 216 ASP.? A 193 GLY A 71 GLY~? ULMNm 3 1qol_c05 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 1.17 A TRANSFORM 0.1964 0.7630 0.6158 0.8296 0.2055 -0.5192 -0.5227 0.6128 -0.5926 -39.300 -31.844 -27.779 F 51 ALA A 173 ALA.? F 148 HIS A 200 HIS^? F 163 ASP A 216 ASP.? ULMNm 3 1bhg_c03 BETA-GLUCURONIDASE user 2 3 RMSD = 1.19 A TRANSFORM -0.2911 -0.7691 0.5690 -0.9378 0.3469 -0.0109 -0.1890 -0.5368 -0.8223 134.177 62.789 151.337 B 451 GLU A 73 GLU~? B 504 TYR A 130 TYR~? B 540 GLU A 199 GLU^? ULMNm 3 1qol_c07 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 1.19 A TRANSFORM -0.6369 -0.6004 -0.4835 0.5400 0.1001 -0.8357 0.5502 -0.7934 0.2605 21.134 -22.197 -27.147 H 51 ALA A 173 ALA.? H 148 HIS A 200 HIS^? H 163 ASP A 216 ASP.? ULMNm 3 1geq_c03 TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT user 2 3 RMSD = 1.19 A TRANSFORM 0.6696 -0.5355 -0.5146 -0.5906 0.0362 -0.8062 0.4503 0.8438 -0.2921 45.093 78.523 -1.166 B 36 GLU A 96 GLU~? B 47 ASP A 89 ASP~? B 161 TYR A 141 TYR~? ULMNm 3 1a0j_c14 TRYPSIN user 3 3 RMSD = 1.19 A TRANSFORM 0.8522 0.3491 0.3896 0.0683 -0.8126 0.5788 0.5187 -0.4666 -0.7164 -20.337 80.092 70.728 C 57 HIS A 200 HIS^? C 102 ASP A 216 ASP.? C 193 GLY A 71 GLY~? ULMNm 3 1geq_c02 TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT user 2 3 RMSD = 1.19 A TRANSFORM 0.6636 -0.0401 0.7470 -0.6366 0.4941 0.5921 -0.3928 -0.8685 0.3024 -8.990 25.804 125.773 A 36 GLU A 96 GLU~? A 47 ASP A 89 ASP~? A 161 TYR A 141 TYR~? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 5 3 RMSD = 1.20 A TRANSFORM -0.0790 0.8040 -0.5893 -0.8824 -0.3314 -0.3339 -0.4638 0.4937 0.7357 -5.220 110.734 -52.639 D 465 GLY A 126 GLY.? D 501 ASP A 181 ASP~? E 367 TYR A 245 TYR^? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 5 3 RMSD = 1.20 A TRANSFORM 0.6151 0.7850 -0.0740 0.6237 -0.4269 0.6548 0.4824 -0.4489 -0.7522 -52.022 14.962 -15.956 A 465 GLY A 126 GLY.? A 501 ASP A 181 ASP~? B 367 TYR A 245 TYR^? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 1 3 RMSD = 1.21 A TRANSFORM 0.8579 0.0788 0.5077 -0.3029 0.8757 0.3760 -0.4149 -0.4764 0.7752 -19.637 -5.038 48.269 A 229 ALA A 138 ALA~? A 257 ALA A 146 ALA^? A 328 ASP A 148 ASP^? ULMNm 3 1a0j_c12 TRYPSIN user 3 3 RMSD = 1.22 A TRANSFORM -0.5478 0.7393 0.3917 -0.1508 0.3733 -0.9154 -0.8229 -0.5605 -0.0930 14.947 26.869 126.384 A 57 HIS A 200 HIS^? A 102 ASP A 216 ASP.? A 193 GLY A 71 GLY~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 7 3 RMSD = 1.22 A TRANSFORM -0.0169 0.9770 0.2125 0.8271 0.1330 -0.5460 -0.5617 0.1665 -0.8104 -52.471 -20.294 23.962 141 ASP A 192 ASP^? 166 GLY A 126 GLY.? 169 GLU A 124 GLU.? ULMNm 3 1qol_c00 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 1.23 A TRANSFORM 0.7339 0.2992 -0.6098 0.1938 0.7682 0.6101 0.6510 -0.5660 0.5059 -47.234 -25.680 27.338 A 51 ALA A 173 ALA.? A 148 HIS A 200 HIS^? A 163 ASP A 216 ASP.? ULMNm 3 3hde_o02 LYSOZYME user 3 3 RMSD = 1.23 A TRANSFORM 0.2244 -0.8906 0.3957 -0.5732 0.2078 0.7927 -0.7881 -0.4047 -0.4638 64.199 2.317 54.589 C 35 GLU A 180 GLU~? C 44 ASP A 192 ASP^? C 50 THR A 185 THR^? ULMNm 3 1xva_c03 GLYCINE N-METHYLTRANSFERASE user 2 3 RMSD = 1.24 A TRANSFORM -0.7131 -0.7010 0.0105 0.6248 -0.6286 0.4632 -0.3181 0.3369 0.8862 181.309 61.632 9.603 B 137 GLY A 206 GLY^? B 175 ARG A 215 ARG^? B 242 TYR A 83 TYR~? ULMNm 3 1xqw_c00 PROLINE IMINOPEPTIDASE user 1 3 RMSD = 1.25 A TRANSFORM -0.8519 -0.1839 -0.4903 0.1099 -0.9783 0.1759 -0.5120 0.0959 0.8536 57.213 51.058 26.858 A 105 ALA A 173 ALA.? A 244 ASP A 216 ASP.? A 271 HIS A 200 HIS^? ULMNm 3 1qol_c03 PROTEASE (NONSTRUCTURAL PROTEIN P20Auser 1 3 RMSD = 1.26 A TRANSFORM 0.5232 0.0440 -0.8511 -0.6137 -0.6734 -0.4121 -0.5913 0.7380 -0.3253 -34.146 39.002 39.524 D 51 ALA A 173 ALA.? D 148 HIS A 200 HIS^? D 163 ASP A 216 ASP.? ULMNm 3 1dub_c13 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.26 A TRANSFORM -0.1561 -0.9874 -0.0271 0.2439 -0.0651 0.9676 -0.9571 0.1445 0.2510 142.698 100.071 183.524 B 141 GLY A 128 GLY.? B 144 GLU A 199 GLU^? B 164 GLU A 73 GLU~? ULMNm 3 1bgl_c08 BETA-GALACTOSIDASE user 1 3 RMSD = 1.26 A TRANSFORM 0.8998 -0.3164 0.3003 0.1754 -0.3681 -0.9131 0.3995 0.8743 -0.2757 -5.396 160.452 -48.529 A 461 GLU A 73 GLU~? A 503 TYR A 127 TYR.? A 537 GLU A 199 GLU^? ULMNm 3 1dub_c13 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.26 A TRANSFORM -0.3724 0.4882 0.7893 -0.8707 -0.4782 -0.1150 0.3213 -0.7301 0.6031 75.101 175.592 168.193 B 141 GLY A 128 GLY.? B 144 GLU A 73 GLU~? B 164 GLU A 199 GLU^? ULMNm 3 8pch_c01 CATHEPSIN H user 1 3 RMSD = 1.27 A TRANSFORM 0.3384 -0.9407 0.0226 0.6018 0.2348 0.7634 -0.7234 -0.2448 0.6456 43.438 -27.623 66.068 A 19 GLN A 64 GLN.? A 25 CYH A 72 CYH~? A 159 HIS A 200 HIS^? ULMNm 3 1bhg_c03 BETA-GLUCURONIDASE user 1 3 RMSD = 1.27 A TRANSFORM -0.1278 -0.8961 -0.4251 -0.7631 0.3626 -0.5349 0.6335 0.2561 -0.7301 138.115 56.706 74.691 B 451 GLU A 73 GLU~? B 504 TYR A 127 TYR.? B 540 GLU A 199 GLU^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 9 3 RMSD = 1.30 A TRANSFORM -0.0123 -0.9714 -0.2372 0.9470 0.0648 -0.3145 0.3209 -0.2285 0.9191 46.058 -47.000 5.700 141 ASP A 220 ASP.? 166 GLY A 206 GLY^? 169 GLU A 232 GLU~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 3 3 RMSD = 1.30 A TRANSFORM -0.5479 -0.0884 0.8319 0.8345 -0.1283 0.5359 0.0594 0.9878 0.1441 8.301 -27.639 -48.826 141 ASP A 105 ASP.? 166 GLY A 114 GLY.? 169 GLU A 73 GLU~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 1 3 RMSD = 1.31 A TRANSFORM 0.3933 -0.6931 -0.6041 0.8348 -0.0061 0.5505 -0.3852 -0.7209 0.5762 20.527 -27.747 43.736 141 ASP A 69 ASP.? 166 GLY A 109 GLY.? 169 GLU A 187 GLU^? ULMNm 3 1bs4_c00 PEPTIDE DEFORMYLASE user 3 3 RMSD = 1.31 A TRANSFORM 0.1621 0.9765 -0.1418 0.6612 -0.2142 -0.7190 -0.7325 0.0228 -0.6804 -24.444 32.077 95.441 A 50 GLN A 237 GLN~? A 91 LEU A 178 LEU.? A 133 GLU A 180 GLU~? ULMNm 3 1dub_c16 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.31 A TRANSFORM -0.3508 -0.5416 0.7640 0.6497 0.4468 0.6150 -0.6744 0.7121 0.1951 124.587 26.728 164.088 E 141 GLY A 128 GLY.? E 144 GLU A 73 GLU~? E 164 GLU A 199 GLU^? ULMNm 3 1dub_c17 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.32 A TRANSFORM 0.4063 -0.6018 -0.6876 0.8776 0.4666 0.1102 0.2545 -0.6482 0.7177 73.969 9.799 168.943 F 141 GLY A 128 GLY.? F 144 GLU A 73 GLU~? F 164 GLU A 199 GLU^? ULMNm 3 1bs4_c01 PEPTIDE DEFORMYLASE user 3 3 RMSD = 1.33 A TRANSFORM -0.7554 0.3413 0.5593 -0.1832 -0.9296 0.3198 0.6291 0.1391 0.7648 95.637 109.971 22.152 B 550 GLN A 237 GLN~? B 591 LEU A 178 LEU.? B 633 GLU A 180 GLU~? ULMNm 3 1dub_c14 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.33 A TRANSFORM 0.7959 -0.5612 0.2271 -0.5083 -0.8232 -0.2529 0.3289 0.0859 -0.9405 46.749 167.674 125.460 C 141 GLY A 128 GLY.? C 144 GLU A 73 GLU~? C 164 GLU A 199 GLU^? ULMNm 3 1euu_c00 SIALIDASE user 2 3 RMSD = 1.34 A TRANSFORM 0.7217 -0.2741 -0.6356 0.5685 -0.2891 0.7702 -0.3948 -0.9172 -0.0528 -20.864 -43.565 83.601 92 ASP A 89 ASP~? 260 GLU A 96 GLU~? 370 TYR A 141 TYR~? ULMNm 3 1dub_c15 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.34 A TRANSFORM -0.7116 0.5772 -0.4006 0.5010 0.8166 0.2865 0.4925 0.0032 -0.8703 92.780 17.891 118.739 D 141 GLY A 128 GLY.? D 144 GLU A 73 GLU~? D 164 GLU A 199 GLU^? ULMNm 3 1dub_c16 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.34 A TRANSFORM -0.6743 -0.3903 0.6268 -0.5197 -0.3521 -0.7784 0.5245 -0.8507 0.0346 132.183 125.386 188.973 E 141 GLY A 128 GLY.? E 144 GLU A 199 GLU^? E 164 GLU A 73 GLU~? ULMNm 3 1dub_c17 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.35 A TRANSFORM 0.0180 0.9959 0.0892 -0.2465 0.0909 -0.9649 -0.9690 -0.0046 0.2471 8.168 83.861 193.877 F 141 GLY A 128 GLY.? F 144 GLU A 199 GLU^? F 164 GLU A 73 GLU~? ULMNm 3 1bp2_c00 PHOSPHOLIPASE A2 (E.C.3.1.1.4) (PHOSuser 3 3 RMSD = 1.36 A TRANSFORM -0.6876 0.4368 -0.5800 0.6847 0.1242 -0.7182 -0.2417 -0.8909 -0.3845 25.594 -25.002 79.692 30 GLY A 128 GLY.? 48 HIS A 200 HIS^? 99 ASP A 216 ASP.? ULMNm 3 1bp2_c00 PHOSPHOLIPASE A2 (E.C.3.1.1.4) (PHOSuser 4 3 RMSD = 1.37 A TRANSFORM -0.2785 -0.5462 0.7900 0.9320 -0.3523 0.0850 0.2319 0.7600 0.6071 54.321 -14.405 -36.643 30 GLY A 239 GLY.? 48 HIS A 131 HIS~? 99 ASP A 148 ASP^? ULMNm 3 1dub_c14 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.37 A TRANSFORM -0.8111 0.5418 -0.2205 0.0054 0.3839 0.9234 0.5849 0.7477 -0.3143 65.872 79.077 78.116 C 141 GLY A 128 GLY.? C 144 GLU A 199 GLU^? C 164 GLU A 73 GLU~? ULMNm 3 1dub_c15 2-ENOYL-COA HYDRATASE user 2 3 RMSD = 1.38 A TRANSFORM 0.9072 -0.3966 0.1405 -0.0326 -0.3991 -0.9163 0.4195 0.8267 -0.3750 66.261 107.944 78.687 D 141 GLY A 128 GLY.? D 144 GLU A 199 GLU^? D 164 GLU A 73 GLU~? ULMNm 3 1sll_c00 SIALIDASE L user 1 3 RMSD = 1.38 A TRANSFORM 0.5923 -0.7857 0.1788 -0.0998 0.1487 0.9838 -0.7995 -0.6005 0.0097 -1.008 -0.303 105.732 318 ASP A 89 ASP~? 595 GLU A 96 GLU~? 713 TYR A 141 TYR~? ULMNm 3 1din_c00 DIENELACTONE HYDROLASE user 1 3 RMSD = 1.39 A TRANSFORM -0.5655 -0.8227 -0.0589 0.4398 -0.2404 -0.8653 0.6977 -0.5152 0.4978 78.307 42.608 -3.228 123 CYH A 72 CYH~? 171 ASP A 216 ASP.? 202 HIS A 200 HIS^? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 1 3 RMSD = 1.39 A TRANSFORM -0.1398 0.4013 -0.9052 -0.9256 -0.3777 -0.0245 -0.3518 0.8345 0.4242 21.368 114.593 -76.527 D 465 GLY A 109 GLY.? D 501 ASP A 181 ASP~? E 367 TYR A 245 TYR^? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 1 3 RMSD = 1.40 A TRANSFORM 0.6159 0.5851 -0.5275 0.6961 -0.0906 0.7122 0.3689 -0.8059 -0.4631 -39.517 -7.720 8.979 A 465 GLY A 109 GLY.? A 501 ASP A 181 ASP~? B 367 TYR A 245 TYR^? ULMNm 3 1cqt_d00 GENE REGULATION/DNA user 9 3 RMSD = 1.40 A TRANSFORM 0.6162 0.6399 0.4592 0.7423 -0.6667 -0.0669 0.2633 0.3821 -0.8858 -49.301 23.435 -25.558 I 303 TYR A 245 TYR^? I 306 VAL A 167 VAL^? I 308 VAL A 203 VAL^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 4 3 RMSD = 1.41 A TRANSFORM -0.5935 -0.1428 0.7920 -0.7208 -0.3434 -0.6021 0.3580 -0.9283 0.1009 13.371 60.264 29.704 141 ASP A 105 ASP.? 166 GLY A 126 GLY.? 169 GLU A 73 GLU~? ULMNm 3 3qwd_o03 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.41 A TRANSFORM 0.7304 -0.6555 -0.1920 -0.6811 -0.7200 -0.1331 -0.0510 0.2280 -0.9723 71.150 165.432 21.066 D 98 SER A 240 SER.? D 123 HIS A 131 HIS~? D 172 ASP A 148 ASP^? ULMNm 3 3qwd_o06 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.42 A TRANSFORM -0.3576 0.9222 0.1468 0.8164 0.3851 -0.4303 -0.4533 -0.0340 -0.8907 -18.635 -18.240 67.160 G 98 SER A 240 SER.? G 123 HIS A 131 HIS~? G 172 ASP A 148 ASP^? ULMNm 3 3qwd_o05 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.42 A TRANSFORM 0.4868 0.8725 -0.0418 0.7693 -0.4509 -0.4526 -0.4138 0.1882 -0.8907 -59.679 62.811 44.473 F 98 SER A 240 SER.? F 123 HIS A 131 HIS~? F 172 ASP A 148 ASP^? ULMNm 3 3qwd_o04 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.43 A TRANSFORM 0.9716 0.1342 -0.1947 0.0633 -0.9409 -0.3326 -0.2278 0.3109 -0.9227 -17.275 146.191 23.190 E 98 SER A 240 SER.? E 123 HIS A 131 HIS~? E 172 ASP A 148 ASP^? ULMNm 3 1wbf_p00 PROTEIN (AGGLUTININ) user 1 3 RMSD = 1.43 A TRANSFORM 0.3640 0.8206 0.4405 0.7483 0.0239 -0.6629 -0.5546 0.5709 -0.6054 -73.533 -26.462 35.971 A 44 ASN A 110 ASN.? A 213 PRO A 111 PRO.? A 219 ASN A 104 ASN^? ULMNm 3 3qwd_o13 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.44 A TRANSFORM -0.2509 -0.9669 -0.0459 -0.9678 0.2514 -0.0074 0.0187 0.0426 -0.9989 239.368 63.262 85.664 N 98 SER A 240 SER.? N 123 HIS A 131 HIS~? N 172 ASP A 148 ASP^? ULMNm 3 1ds2_c02 PROTEINASE B (SGPB user 2 3 RMSD = 1.44 A TRANSFORM -0.6477 -0.0040 -0.7619 0.7259 -0.3072 -0.6154 -0.2316 -0.9516 0.2019 37.870 8.456 84.419 E 57 HIS A 200 HIS^? E 102 ASP A 216 ASP.? E 193 GLY A 128 GLY.? ULMNm 3 3qwd_o07 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.44 A TRANSFORM 0.5923 -0.7805 -0.1998 -0.8049 -0.5844 -0.1031 -0.0363 0.2219 -0.9744 176.719 132.235 71.053 H 98 SER A 240 SER.? H 123 HIS A 131 HIS~? H 172 ASP A 148 ASP^? ULMNm 3 3qwd_o01 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.44 A TRANSFORM -0.7990 -0.5822 0.1503 -0.5948 0.8020 -0.0552 -0.0884 -0.1335 -0.9871 145.993 18.519 57.558 B 98 SER A 240 SER.? B 123 HIS A 131 HIS~? B 172 ASP A 148 ASP^? ULMNm 3 3qwd_o10 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.44 A TRANSFORM -0.1972 0.9775 0.0749 0.8743 0.2099 -0.4376 -0.4435 -0.0209 -0.8960 54.102 -32.646 115.460 K 98 SER A 240 SER.? K 123 HIS A 131 HIS~? K 172 ASP A 148 ASP^? ULMNm 3 3qwd_o02 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.44 A TRANSFORM -0.0691 -0.9967 -0.0423 -0.9972 0.0703 -0.0272 0.0301 0.0403 -0.9987 145.613 108.888 34.857 C 98 SER A 240 SER.? C 123 HIS A 131 HIS~? C 172 ASP A 148 ASP^? ULMNm 3 3qwd_o09 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.45 A TRANSFORM 0.6346 0.7666 -0.0975 0.6660 -0.6065 -0.4342 -0.3920 0.2107 -0.8955 28.988 55.086 91.551 J 98 SER A 240 SER.? J 123 HIS A 131 HIS~? J 172 ASP A 148 ASP^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 5 3 RMSD = 1.45 A TRANSFORM -0.4437 -0.2664 0.8557 -0.4971 -0.7213 -0.4823 0.7457 -0.6394 0.1877 12.470 67.247 2.053 141 ASP A 105 ASP.? 166 GLY A 126 GLY.? 169 GLU A 199 GLU^? ULMNm 3 3qwd_o08 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.45 A TRANSFORM 0.9708 -0.0070 -0.2398 -0.0826 -0.9482 -0.3068 -0.2252 0.3177 -0.9211 83.735 127.583 72.547 I 98 SER A 240 SER.? I 123 HIS A 131 HIS~? I 172 ASP A 148 ASP^? ULMNm 3 3qwd_o11 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.45 A TRANSFORM -0.8747 0.4371 0.2095 0.3828 0.8881 -0.2546 -0.2974 -0.1425 -0.9441 141.060 -69.190 120.211 L 98 SER A 240 SER.? L 123 HIS A 131 HIS~? L 172 ASP A 148 ASP^? ULMNm 3 3qwd_o12 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.45 A TRANSFORM -0.8925 -0.4303 0.1349 -0.4432 0.8924 -0.0854 -0.0836 -0.1360 -0.9872 223.432 -25.377 107.909 M 98 SER A 240 SER.? M 123 HIS A 131 HIS~? M 172 ASP A 148 ASP^? ULMNm 3 1rgq_c01 NS4A PEPTIDE user 1 3 RMSD = 1.46 A TRANSFORM 0.2400 0.5996 -0.7635 0.5892 -0.7150 -0.3763 -0.7715 -0.3595 -0.5249 -16.504 34.110 47.001 B 60 HIS A 131 HIS~? B 84 ASP A 148 ASP^? B 140 GLY A 114 GLY.? ULMNm 3 1e2t_c05 N-HYDROXYARYLAMINE O-ACETYLTRANSFERAuser 2 3 RMSD = 1.47 A TRANSFORM 0.0601 -0.2945 -0.9538 0.9930 0.1145 0.0272 0.1012 -0.9488 0.2993 74.497 35.558 58.930 F 69 CYH A 201 CYH^? F 107 HIS A 200 HIS^? F 122 ASP A 216 ASP.? ULMNm 3 1ds2_c02 PROTEINASE B (SGPB user 1 3 RMSD = 1.47 A TRANSFORM -0.2117 0.5779 -0.7882 0.9747 0.1845 -0.1265 0.0724 -0.7950 -0.6023 -2.102 -30.601 74.987 E 57 HIS A 131 HIS~? E 102 ASP A 148 ASP^? E 193 GLY A 114 GLY.? ULMNm 3 3qwd_o00 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.48 A TRANSFORM -0.9445 0.2440 0.2198 0.2052 0.9611 -0.1849 -0.2564 -0.1295 -0.9579 75.496 -38.948 67.396 A 98 SER A 240 SER.? A 123 HIS A 131 HIS~? A 172 ASP A 148 ASP^? ULMNm 3 3qwd_o00 ATP-DEPENDENT CLP PROTEASE PROTEOLYTuser 1 3 RMSD = 1.48 A TRANSFORM -0.9445 0.2440 0.2198 0.2052 0.9611 -0.1849 -0.2564 -0.1295 -0.9579 75.496 -38.948 67.396 A 98 SER A 240 SER.? A 123 HIS A 131 HIS~? A 172 ASP A 148 ASP^? ULMNm 3 1e2t_c01 N-HYDROXYARYLAMINE O-ACETYLTRANSFERAuser 2 3 RMSD = 1.48 A TRANSFORM 0.0258 0.2956 0.9550 0.9965 0.0689 -0.0482 -0.0800 0.9528 -0.2927 54.332 37.359 24.850 B 69 CYH A 201 CYH^? B 107 HIS A 200 HIS^? B 122 ASP A 216 ASP.? ULMNm 3 1geq_c03 TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT user 6 3 RMSD = 1.49 A TRANSFORM 0.3834 -0.8647 -0.3245 0.3006 0.4491 -0.8414 0.8733 0.2250 0.4321 89.949 -13.557 -2.683 B 36 GLU A 232 GLU~? B 47 ASP A 208 ASP.? B 161 TYR A 158 TYR~? ULMNm 3 1geq_c02 TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT user 6 3 RMSD = 1.49 A TRANSFORM -0.2271 -0.5070 0.8315 -0.4441 0.8138 0.3749 -0.8667 -0.2841 -0.4100 86.265 -11.098 133.347 A 36 GLU A 232 GLU~? A 47 ASP A 208 ASP.? A 161 TYR A 158 TYR~? ULMNm 3 1e2t_c06 N-HYDROXYARYLAMINE O-ACETYLTRANSFERAuser 2 3 RMSD = 1.50 A TRANSFORM 0.0027 -0.7224 0.6915 -0.9996 -0.0217 -0.0188 0.0286 -0.6911 -0.7222 65.924 135.715 69.864 G 69 CYH A 201 CYH^? G 107 HIS A 200 HIS^? G 122 ASP A 216 ASP.? ULMNm 3 1a50_c03 TRYPTOPHAN SYNTHASE user 4 3 RMSD = 1.50 A TRANSFORM 0.6728 0.2444 -0.6983 -0.5796 0.7607 -0.2923 0.4598 0.6013 0.6535 -10.736 5.788 -45.914 A 49 GLU A 155 GLU~? A 60 ASP A 51 ASP.? A 175 TYR A 158 TYR~?