*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 2wwt_o04 INTRACELLULAR SUBTILISIN PROTEASE user 2 3 RMSD = 0.71 A TRANSFORM 0.6126 0.7666 -0.1926 0.3147 -0.0130 0.9491 0.7251 -0.6420 -0.2492 -59.001 17.833 5.719 E 49 ASP A 78 ASP~? E 86 HIS A 24 HIS~? E 250 ALA A 40 ALA^? ULMNm 3 2wwt_o05 INTRACELLULAR SUBTILISIN PROTEASE user 2 3 RMSD = 0.73 A TRANSFORM -0.6950 -0.5187 -0.4979 -0.1069 -0.6103 0.7850 -0.7110 0.5988 0.3687 -59.784 17.535 48.726 F 49 ASP A 78 ASP~? F 86 HIS A 24 HIS~? F 250 ALA A 40 ALA^? ULMNm 3 2wwt_o04 INTRACELLULAR SUBTILISIN PROTEASE user 4 3 RMSD = 0.75 A TRANSFORM -0.1321 -0.9900 0.0500 -0.3017 -0.0079 -0.9534 0.9442 -0.1411 -0.2976 -52.045 39.021 3.386 E 49 ASP B 78 ASP~? E 86 HIS B 24 HIS~? E 250 ALA B 40 ALA^? ULMNm 3 2wwt_o05 INTRACELLULAR SUBTILISIN PROTEASE user 4 3 RMSD = 0.77 A TRANSFORM 0.2579 0.7318 0.6309 -0.0142 0.6558 -0.7548 -0.9661 0.1858 0.1795 -79.244 27.738 53.219 F 49 ASP B 78 ASP~? F 86 HIS B 24 HIS~? F 250 ALA B 40 ALA^? ULMNm 3 1ssx_c02 ALPHA-LYTIC PROTEASE user 1 3 RMSD = 0.80 A TRANSFORM 0.3057 -0.7414 -0.5974 -0.8643 0.0471 -0.5007 0.3993 0.6694 -0.6264 17.932 51.633 4.614 A 57 HIS A 24 HIS~? A 102 ASP A 78 ASP~? A 193 GLY A 41 GLY^? ULMNm 3 1rtf_c06 TWO CHAIN TISSUE PLASMINOGEN ACTIVATuser 1 3 RMSD = 0.83 A TRANSFORM 0.6562 -0.5747 -0.4890 -0.4784 0.1844 -0.8586 0.5836 0.7974 -0.1539 -12.503 40.303 20.323 B 57 HIS A 24 HIS~? B 102 ASP A 78 ASP~? B 193 GLY A 41 GLY^? ULMNm 3 1ssx_c02 ALPHA-LYTIC PROTEASE user 2 3 RMSD = 0.84 A TRANSFORM 0.9690 0.1512 0.1954 -0.2441 0.4634 0.8519 0.0382 -0.8732 0.4859 4.290 34.374 0.623 A 57 HIS B 24 HIS~? A 102 ASP B 78 ASP~? A 193 GLY B 41 GLY^? ULMNm 3 1rtf_c06 TWO CHAIN TISSUE PLASMINOGEN ACTIVATuser 2 3 RMSD = 0.87 A TRANSFORM 0.9826 -0.1835 -0.0289 0.0329 0.0190 0.9993 -0.1828 -0.9828 0.0247 -19.740 20.583 27.983 B 57 HIS B 24 HIS~? B 102 ASP B 78 ASP~? B 193 GLY B 41 GLY^? ULMNm 3 2wwt_o03 INTRACELLULAR SUBTILISIN PROTEASE user 2 3 RMSD = 0.87 A TRANSFORM -0.1269 -0.5738 0.8091 -0.6404 -0.5756 -0.5086 0.7575 -0.5826 -0.2944 42.532 -33.172 -23.098 D 49 ASP A 78 ASP~? D 86 HIS A 24 HIS~? D 250 ALA A 40 ALA^? ULMNm 3 2lpr_c02 ALPHA-LYTIC PROTEASE user 1 3 RMSD = 0.89 A TRANSFORM 0.3092 -0.7467 -0.5889 -0.8570 0.0497 -0.5129 0.4123 0.6633 -0.6246 17.822 51.496 4.329 A 57 HIS A 24 HIS~? A 102 ASP A 78 ASP~? A 193 GLY A 41 GLY^? ULMNm 3 2wwt_o03 INTRACELLULAR SUBTILISIN PROTEASE user 4 3 RMSD = 0.90 A TRANSFORM -0.0623 0.6504 -0.7570 0.3312 0.7289 0.5991 0.9415 -0.2134 -0.2609 53.257 -52.701 -25.617 D 49 ASP B 78 ASP~? D 86 HIS B 24 HIS~? D 250 ALA B 40 ALA^? ULMNm 3 2wwt_o01 INTRACELLULAR SUBTILISIN PROTEASE user 2 3 RMSD = 0.91 A TRANSFORM -0.5962 -0.7768 0.2028 0.3465 -0.0211 0.9378 -0.7242 0.6294 0.2817 -3.189 -16.035 55.041 B 49 ASP A 78 ASP~? B 86 HIS A 24 HIS~? B 250 ALA A 40 ALA^? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 4 3 RMSD = 0.91 A TRANSFORM 0.8850 -0.0562 0.4621 0.0123 -0.9895 -0.1440 0.4654 0.1332 -0.8750 29.605 27.556 -9.305 A 229 ALA A 70 ALA~? A 257 ALA A 71 ALA~? A 328 ASP B 47 ASP.? ULMNm 3 2wwt_o00 INTRACELLULAR SUBTILISIN PROTEASE user 2 3 RMSD = 0.92 A TRANSFORM 0.6342 0.5445 0.5489 -0.1517 -0.6086 0.7789 0.7582 -0.5772 -0.3033 -1.876 -18.016 10.687 A 49 ASP A 78 ASP~? A 86 HIS A 24 HIS~? A 250 ALA A 40 ALA^? ULMNm 3 2wwt_o00 INTRACELLULAR SUBTILISIN PROTEASE user 2 3 RMSD = 0.92 A TRANSFORM 0.6342 0.5445 0.5489 -0.1517 -0.6086 0.7789 0.7582 -0.5772 -0.3033 -1.876 -18.016 10.687 A 49 ASP A 78 ASP~? A 86 HIS A 24 HIS~? A 250 ALA A 40 ALA^? ULMNm 3 2lpr_c02 ALPHA-LYTIC PROTEASE user 2 3 RMSD = 0.92 A TRANSFORM 0.9707 0.1536 0.1847 -0.2353 0.4540 0.8593 0.0481 -0.8776 0.4769 4.333 34.078 0.455 A 57 HIS B 24 HIS~? A 102 ASP B 78 ASP~? A 193 GLY B 41 GLY^? ULMNm 3 2wwt_o02 INTRACELLULAR SUBTILISIN PROTEASE user 2 3 RMSD = 0.94 A TRANSFORM 0.3041 0.0040 0.9526 0.5460 0.8187 -0.1777 -0.7806 0.5742 0.2468 45.243 -30.361 21.618 C 49 ASP A 78 ASP~? C 86 HIS A 24 HIS~? C 250 ALA A 40 ALA^? ULMNm 3 2wwt_o01 INTRACELLULAR SUBTILISIN PROTEASE user 4 3 RMSD = 0.94 A TRANSFORM 0.1418 0.9875 -0.0685 -0.2726 -0.0276 -0.9617 -0.9516 0.1551 0.2653 -9.857 5.158 57.937 B 49 ASP B 78 ASP~? B 86 HIS B 24 HIS~? B 250 ALA B 40 ALA^? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 11 3 RMSD = 0.95 A TRANSFORM 0.2521 -0.4682 -0.8469 0.7636 0.6338 -0.1231 0.5944 -0.6157 0.5173 47.049 18.680 -21.089 A 229 ALA B 70 ALA~? A 257 ALA B 71 ALA~? A 328 ASP A 47 ASP.? ULMNm 3 1cb7_c06 GLUTAMATE MUTASE user 1 3 RMSD = 1.09 A TRANSFORM 0.5117 -0.7675 -0.3861 -0.6406 -0.0414 -0.7667 0.5725 0.6397 -0.5129 -8.253 4.126 83.804 A 14 ASP B 78 ASP~? A 16 HIS B 24 HIS~? A 67 GLY B 84 GLY.? ULMNm 3 1ula_c00 PURINE NUCLEOSIDE PHOSPHORYLASE (E.Cuser 2 3 RMSD = 1.10 A TRANSFORM -0.8738 0.4426 0.2015 -0.3511 -0.2875 -0.8911 -0.3365 -0.8494 0.4066 12.399 12.591 26.957 86 HIS A 0 HIS.? 89 GLU A 66 GLU.? 243 ASN B 50 ASN.? ULMNm 3 1sca_c00 SUBTILISIN CARLSBERG (E.C.3.4.21.62)user 1 3 RMSD = 1.19 A TRANSFORM 0.7016 -0.7096 -0.0651 -0.0502 0.0419 -0.9979 0.7108 0.7033 -0.0062 68.855 72.791 37.450 32 ASP A 78 ASP~? 64 HIS A 24 HIS~? 221 SER A 59 SER^? ULMNm 3 1xva_c03 GLYCINE N-METHYLTRANSFERASE user 2 3 RMSD = 1.20 A TRANSFORM -0.2972 0.9073 0.2973 0.7557 0.4139 -0.5076 -0.5836 0.0739 -0.8087 98.045 45.089 22.719 B 137 GLY A 41 GLY^? B 175 ARG A 21 ARG~? B 242 TYR A 80 TYR~? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 2 3 RMSD = 1.20 A TRANSFORM 0.0210 0.8400 0.5422 0.4167 0.4857 -0.7684 -0.9088 0.2420 -0.3398 15.616 3.871 160.864 C 70 ALA B 26 ALA~? C 126 LEU B 25 LEU~? C 158 GLU B 22 GLU~? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 2 3 RMSD = 1.24 A TRANSFORM -0.4448 -0.8197 0.3608 -0.2168 0.4894 0.8446 -0.8690 0.2974 -0.3954 -18.190 37.179 160.875 A 70 ALA B 26 ALA~? A 126 LEU B 25 LEU~? A 158 GLU B 22 GLU~? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 2 3 RMSD = 1.26 A TRANSFORM 0.3291 0.0109 -0.9442 -0.2850 -0.9521 -0.1103 -0.9003 0.3055 -0.3102 -30.005 -8.814 162.750 B 70 ALA B 26 ALA~? B 126 LEU B 25 LEU~? B 158 GLU B 22 GLU~? ULMNm 3 2tmd_c03 TRIMETHYLAMINE DEHYDROGENASE user 1 3 RMSD = 1.27 A TRANSFORM 0.8129 0.2390 -0.5311 0.5141 -0.7229 0.4617 -0.2736 -0.6484 -0.7105 21.006 -9.114 45.768 B 169 TYR A 86 TYR^? B 172 HIS A 24 HIS~? B 174 TYR A 80 TYR~? ULMNm 3 1n2t_c02 L-CYSTEINE-CYSTINE LYASE C-DES user 2 3 RMSD = 1.28 A TRANSFORM 0.9498 0.3090 -0.0496 -0.1287 0.2412 -0.9619 -0.2853 0.9199 0.2689 -67.428 2.478 -11.121 A 114 HIS B 24 HIS~? A 197 ASP B 78 ASP~? A 223 ALA B 63 ALA^? ULMNm 3 1n2t_c03 L-CYSTEINE-CYSTINE LYASE C-DES user 2 3 RMSD = 1.28 A TRANSFORM -0.9534 -0.2965 0.0558 0.1727 -0.3847 0.9067 -0.2474 0.8741 0.4180 -26.268 -7.252 -12.154 B 114 HIS B 24 HIS~? B 197 ASP B 78 ASP~? B 223 ALA B 63 ALA^? ULMNm 3 2ag0_c09 BENZALDEHYDE LYASE user 2 3 RMSD = 1.30 A TRANSFORM -0.5235 -0.0966 0.8465 -0.2721 -0.9226 -0.2735 0.8074 -0.3736 0.4567 59.679 -5.923 -18.689 A 29 HIS B 0 HIS.? A 50 GLU A 49 GLU.? A 113 GLN B 64 GLN^? ULMNm 3 2ag0_c10 BENZALDEHYDE LYASE user 2 3 RMSD = 1.30 A TRANSFORM -0.6458 -0.0631 0.7609 0.2595 0.9191 0.2964 -0.7180 0.3889 -0.5772 65.095 0.629 53.509 C 29 HIS B 0 HIS.? C 50 GLU A 49 GLU.? C 113 GLN B 64 GLN^? ULMNm 3 2ag0_c11 BENZALDEHYDE LYASE user 2 3 RMSD = 1.30 A TRANSFORM 0.6264 0.1364 -0.7675 -0.6695 0.5984 -0.4401 0.3992 0.7895 0.4661 49.128 33.049 12.810 D 29 HIS B 0 HIS.? D 50 GLU A 49 GLU.? D 113 GLN B 64 GLN^? ULMNm 3 1n2t_c02 L-CYSTEINE-CYSTINE LYASE C-DES user 1 3 RMSD = 1.30 A TRANSFORM 0.2948 -0.8837 -0.3636 0.2425 -0.2989 0.9230 -0.9243 -0.3603 0.1262 -57.475 -15.914 -2.586 A 114 HIS A 24 HIS~? A 197 ASP A 78 ASP~? A 223 ALA A 63 ALA^? ULMNm 3 1n2t_c03 L-CYSTEINE-CYSTINE LYASE C-DES user 1 3 RMSD = 1.30 A TRANSFORM -0.3086 0.8792 0.3630 -0.0921 0.3523 -0.9314 -0.9467 -0.3208 -0.0278 -36.053 9.547 -0.653 B 114 HIS A 24 HIS~? B 197 ASP A 78 ASP~? B 223 ALA A 63 ALA^? ULMNm 3 2ag0_c08 BENZALDEHYDE LYASE user 2 3 RMSD = 1.31 A TRANSFORM 0.5474 0.0190 -0.8367 0.6793 -0.5940 0.4310 -0.4888 -0.8043 -0.3380 50.602 -38.624 24.014 B 29 HIS B 0 HIS.? B 50 GLU A 49 GLU.? B 113 GLN B 64 GLN^? ULMNm 3 2ag0_c04 BENZALDEHYDE LYASE user 2 3 RMSD = 1.31 A TRANSFORM 0.5474 0.0190 -0.8367 0.6793 -0.5940 0.4310 -0.4888 -0.8043 -0.3380 50.602 -38.624 24.014 B 29 HIS B 0 HIS.? B 50 GLU A 49 GLU.? B 113 GLN B 64 GLN^? ULMNm 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 3 3 RMSD = 1.31 A TRANSFORM -0.8784 -0.2915 -0.3788 -0.4487 0.2298 0.8636 -0.1647 0.9286 -0.3326 57.764 93.947 62.964 229 ASP B 9 ASP^? 264 GLU B 22 GLU~? 328 ASP B 78 ASP~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 12 3 RMSD = 1.31 A TRANSFORM -0.6388 -0.2379 0.7316 0.3567 0.7510 0.5556 -0.6816 0.6160 -0.3949 37.825 15.385 34.707 A 229 ALA B 71 ALA~? A 257 ALA B 70 ALA~? A 328 ASP A 47 ASP.? ULMNm 3 2tmd_c02 TRIMETHYLAMINE DEHYDROGENASE user 1 3 RMSD = 1.32 A TRANSFORM -0.7050 -0.4557 0.5434 0.2706 -0.8811 -0.3878 0.6556 -0.1264 0.7445 48.778 18.368 -18.912 A 169 TYR A 86 TYR^? A 172 HIS A 24 HIS~? A 174 TYR A 80 TYR~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 5 3 RMSD = 1.34 A TRANSFORM -0.5375 0.7774 -0.3268 -0.6231 -0.6272 -0.4673 -0.5682 -0.0475 0.8215 44.849 34.658 24.486 A 229 ALA A 71 ALA~? A 257 ALA A 70 ALA~? A 328 ASP B 47 ASP.? ULMNm 3 2tmd_c03 TRIMETHYLAMINE DEHYDROGENASE user 2 3 RMSD = 1.34 A TRANSFORM 0.5499 -0.8307 0.0868 0.4779 0.2277 -0.8484 0.6850 0.5080 0.5222 19.844 0.983 26.000 B 169 TYR B 86 TYR^? B 172 HIS B 24 HIS~? B 174 TYR B 80 TYR~? ULMNm 3 1vom_c00 MYOSIN user 2 3 RMSD = 1.36 A TRANSFORM -0.2073 -0.9115 -0.3552 -0.4306 -0.2410 0.8698 -0.8784 0.3333 -0.3425 80.377 37.576 1.587 233 ASN A 50 ASN.? 457 GLY A 55 GLY.? 459 GLU A 53 GLU~? ULMNm 3 1ula_c00 PURINE NUCLEOSIDE PHOSPHORYLASE (E.Cuser 4 3 RMSD = 1.36 A TRANSFORM -0.8945 0.3840 0.2290 0.3622 0.3221 0.8747 0.2621 0.8653 -0.4272 14.928 -8.575 26.377 86 HIS B 0 HIS.? 89 GLU B 66 GLU.? 243 ASN A 50 ASN.? ULMNm 3 1b6t_c01 PHOSPHOPANTETHEINE ADENYLYLTRANSFERAuser 1 3 RMSD = 1.39 A TRANSFORM 0.2331 -0.2282 0.9453 0.8903 0.4412 -0.1131 -0.3913 0.8679 0.3060 10.978 -7.888 39.500 B 18 HIS A 24 HIS~? B 91 ARG A 17 ARG~? B 129 SER A 59 SER^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 1 3 RMSD = 1.39 A TRANSFORM 0.4940 -0.1747 -0.8518 -0.7931 0.3110 -0.5237 0.3564 0.9342 0.0151 -9.996 32.094 -9.068 141 ASP A 88 ASP^? 166 GLY A 41 GLY^? 169 GLU A 49 GLU.? ULMNm 3 2tmd_c02 TRIMETHYLAMINE DEHYDROGENASE user 2 3 RMSD = 1.39 A TRANSFORM -0.3593 0.9080 -0.2156 0.9332 0.3492 -0.0845 -0.0014 -0.2316 -0.9728 50.080 8.860 1.145 A 169 TYR B 86 TYR^? A 172 HIS B 24 HIS~? A 174 TYR B 80 TYR~? ULMNm 3 1itx_c00 GLYCOSYL HYDROLASE user 3 3 RMSD = 1.39 A TRANSFORM -0.6325 0.7743 -0.0211 0.4933 0.3817 -0.7816 -0.5972 -0.5047 -0.6234 17.741 -3.784 24.225 A 202 ASP B 48 ASP.? A 204 GLU B 49 GLU.? A 279 TYR A 3 TYR^? ULMNm 3 1ctn_c00 CHITINASE A (E.C.3.2.1.14) (PH 5.5, user 3 3 RMSD = 1.41 A TRANSFORM -0.7268 -0.6726 -0.1391 0.2351 -0.0533 -0.9705 0.6454 -0.7381 0.1968 31.216 85.968 9.591 313 ASP B 48 ASP.? 315 GLU B 49 GLU.? 390 TYR A 3 TYR^? ULMNm 3 2wwt_o04 INTRACELLULAR SUBTILISIN PROTEASE user 1 3 RMSD = 1.41 A TRANSFORM 0.6960 -0.6467 0.3120 -0.5626 -0.2212 0.7966 -0.4461 -0.7300 -0.5178 -48.173 41.970 35.954 E 49 ASP A 78 ASP~? E 86 HIS A 24 HIS~? E 250 ALA A 26 ALA~? ULMNm 3 1b6t_c01 PHOSPHOPANTETHEINE ADENYLYLTRANSFERAuser 2 3 RMSD = 1.41 A TRANSFORM -0.1909 0.1664 -0.9674 0.2316 -0.9501 -0.2091 -0.9539 -0.2640 0.1428 29.429 0.440 47.017 B 18 HIS B 24 HIS~? B 91 ARG B 17 ARG~? B 129 SER B 59 SER^? ULMNm 3 2odj_o00 PORIN D user 3 3 RMSD = 1.42 A TRANSFORM -0.6220 -0.7201 0.3076 0.3986 -0.6293 -0.6672 0.6740 -0.2924 0.6784 22.507 12.437 27.358 A 156 HIS A 0 HIS.? A 208 ASP B 48 ASP.? A 296 SER A 59 SER^? ULMNm 3 2wwt_o04 INTRACELLULAR SUBTILISIN PROTEASE user 3 3 RMSD = 1.43 A TRANSFORM 0.6515 -0.0139 -0.7585 -0.5331 0.7029 -0.4708 0.5398 0.7111 0.4505 -40.199 50.680 17.630 E 49 ASP B 78 ASP~? E 86 HIS B 24 HIS~? E 250 ALA B 26 ALA~? ULMNm 3 1b57_c01 FRUCTOSE-BISPHOSPHATE ALDOLASE II user 1 3 RMSD = 1.45 A TRANSFORM 0.9866 0.1294 -0.0996 0.1142 -0.9828 -0.1455 -0.1167 0.1322 -0.9843 -9.521 66.584 156.191 B 109 ASP A 47 ASP.? B 182 GLU A 49 GLU.? B 286 ASN B 67 ASN~? ULMNm 3 2wwt_o05 INTRACELLULAR SUBTILISIN PROTEASE user 1 3 RMSD = 1.48 A TRANSFORM -0.0922 0.6476 -0.7564 -0.9342 0.2068 0.2909 0.3448 0.7334 0.5859 -85.665 30.971 20.992 F 49 ASP A 78 ASP~? F 86 HIS A 24 HIS~? F 250 ALA A 26 ALA~? ULMNm 3 1b57_c00 FRUCTOSE-BISPHOSPHATE ALDOLASE II user 1 3 RMSD = 1.48 A TRANSFORM 0.6817 -0.7218 -0.1191 0.7296 0.6828 0.0377 0.0541 -0.1126 0.9922 8.757 26.656 86.567 A 109 ASP A 47 ASP.? A 182 GLU A 49 GLU.? A 286 ASN B 67 ASN~? ULMNm 3 2wwt_o05 INTRACELLULAR SUBTILISIN PROTEASE user 3 3 RMSD = 1.50 A TRANSFORM -0.1197 -0.5050 0.8548 -0.7690 0.5917 0.2419 -0.6280 -0.6284 -0.4591 -96.700 29.540 39.702 F 49 ASP B 78 ASP~? F 86 HIS B 24 HIS~? F 250 ALA B 26 ALA~?