*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1ehy_c02 SOLUBLE EPOXIDE HYDROLASE user 2 3 RMSD = 0.88 A TRANSFORM 0.4694 -0.2435 0.8488 -0.8656 0.0631 0.4968 0.1745 0.9679 0.1811 -30.557 14.910 45.287 C 107 ASP A 3 ASP~? C 246 ASP A 81 ASP.? C 275 HIS A 58 HIS.? ULMNm 3 1ddj_c14 PLASMINOGEN user 1 3 RMSD = 0.94 A TRANSFORM -0.7802 0.6248 -0.0315 -0.1124 -0.0905 0.9895 -0.6154 -0.7755 -0.1409 4.949 26.957 83.329 C 603 HIS A 7 HIS~? C 646 ASP A 11 ASP~? C 739 GLY A 36 GLY.? ULMNm 3 1ddj_c15 PLASMINOGEN user 2 3 RMSD = 1.01 A TRANSFORM 0.9356 0.2870 -0.2056 0.0672 -0.7164 -0.6945 0.3466 -0.6359 0.6895 -31.886 74.003 31.566 D 603 HIS A 7 HIS~? D 646 ASP A 11 ASP~? D 739 GLY A 36 GLY.? ULMNm 3 1cb7_c07 GLUTAMATE MUTASE user 1 3 RMSD = 1.02 A TRANSFORM 0.7033 0.6976 0.1367 -0.1418 -0.0508 0.9886 -0.6966 0.7146 -0.0632 -20.356 5.345 94.504 C 14 ASP A 81 ASP.? C 16 HIS A 70 HIS^? C 67 GLY A 84 GLY.? ULMNm 3 1cb7_c06 GLUTAMATE MUTASE user 1 3 RMSD = 1.02 A TRANSFORM 0.5442 0.8301 0.1217 0.1394 0.0535 -0.9888 0.8273 -0.5550 0.0866 -17.488 25.880 65.152 A 14 ASP A 81 ASP.? A 16 HIS A 70 HIS^? A 67 GLY A 84 GLY.? ULMNm 3 1ddj_c12 PLASMINOGEN user 1 3 RMSD = 1.05 A TRANSFORM -0.7707 0.6365 0.0294 -0.0964 -0.1621 0.9820 -0.6298 -0.7541 -0.1863 5.170 29.588 21.244 A 603 HIS A 7 HIS~? A 646 ASP A 11 ASP~? A 739 GLY A 36 GLY.? ULMNm 3 1ehy_c01 SOLUBLE EPOXIDE HYDROLASE user 1 3 RMSD = 1.06 A TRANSFORM 0.4479 -0.3656 -0.8159 -0.2051 0.8462 -0.4918 -0.8702 -0.3876 -0.3041 75.710 61.604 104.581 B 107 ASP A 3 ASP~? B 246 ASP A 81 ASP.? B 275 HIS A 58 HIS.? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 1 3 RMSD = 1.08 A TRANSFORM 0.7173 0.5119 0.4727 -0.6931 0.5940 0.4084 0.0717 0.6205 -0.7809 14.015 -17.514 27.315 A 67 ASP A 11 ASP~? A 68 ALA A 10 ALA~? A 72 LEU A 9 LEU~? ULMNm 3 1bwp_c01 PLATELET-ACTIVATING FACTOR ACETYLHYDuser 2 3 RMSD = 1.10 A TRANSFORM 0.9439 -0.3083 0.1184 -0.2236 -0.3330 0.9160 0.2429 0.8911 0.3833 37.408 -29.288 -1.940 104 ASN A 52 ASN^? 192 ASP A 81 ASP.? 195 HIS A 70 HIS^? ULMNm 3 1ddj_c13 PLASMINOGEN user 2 3 RMSD = 1.12 A TRANSFORM 0.8405 0.3248 -0.4337 0.0192 -0.8178 -0.5752 0.5415 -0.4751 0.6936 -22.884 75.267 -36.505 B 603 HIS A 7 HIS~? B 646 ASP A 11 ASP~? B 739 GLY A 36 GLY.? ULMNm 3 1ehy_c03 SOLUBLE EPOXIDE HYDROLASE user 1 3 RMSD = 1.16 A TRANSFORM -0.9031 -0.2715 -0.3328 0.1505 -0.9258 0.3469 0.4022 -0.2632 -0.8769 59.530 22.926 123.187 D 107 ASP A 3 ASP~? D 246 ASP A 81 ASP.? D 275 HIS A 58 HIS.? ULMNm 3 1a0j_c14 TRYPSIN user 1 3 RMSD = 1.16 A TRANSFORM 0.0233 0.9462 -0.3227 0.7259 -0.2379 -0.6454 0.6874 0.2192 0.6924 34.097 55.246 31.555 C 57 HIS A 70 HIS^? C 102 ASP A 81 ASP.? C 193 GLY A 67 GLY.? ULMNm 3 1a0j_c15 TRYPSIN user 1 3 RMSD = 1.17 A TRANSFORM 0.1601 0.0370 0.9864 0.8933 0.4198 -0.1607 0.4201 -0.9069 -0.0341 -32.541 -0.730 100.772 D 57 HIS A 70 HIS^? D 102 ASP A 81 ASP.? D 193 GLY A 67 GLY.? ULMNm 3 1a0j_c13 TRYPSIN user 1 3 RMSD = 1.18 A TRANSFORM 0.7580 -0.6470 -0.0826 0.4997 0.6574 -0.5640 -0.4192 -0.3862 -0.8217 41.369 49.301 96.542 B 57 HIS A 70 HIS^? B 102 ASP A 81 ASP.? B 193 GLY A 67 GLY.? ULMNm 3 1ds2_c02 PROTEINASE B (SGPB user 2 3 RMSD = 1.18 A TRANSFORM -0.6913 -0.6013 0.4007 0.1767 0.3970 0.9006 0.7006 -0.6934 0.1682 16.427 -15.412 15.445 E 57 HIS A 70 HIS^? E 102 ASP A 81 ASP.? E 193 GLY A 67 GLY.? ULMNm 3 1ehy_c00 SOLUBLE EPOXIDE HYDROLASE user 1 3 RMSD = 1.19 A TRANSFORM -0.3888 0.6371 0.6655 0.8578 0.5139 0.0092 0.3362 -0.5744 0.7463 -11.365 25.422 25.321 A 107 ASP A 3 ASP~? A 246 ASP A 72 ASP^? A 275 HIS A 58 HIS.? ULMNm 3 1pp4_c02 RHAMNOGALACTURONAN ACETYLESTERASE user 2 3 RMSD = 1.20 A TRANSFORM 0.9260 0.3775 -0.0003 -0.3616 0.8867 -0.2879 0.1084 -0.2667 -0.9576 -21.625 52.365 62.177 A 74 ASN A 52 ASN^? A 192 ASP A 81 ASP.? A 195 HIS A 70 HIS^? ULMNm 3 1a0j_c12 TRYPSIN user 1 3 RMSD = 1.21 A TRANSFORM -0.9253 -0.1588 -0.3443 -0.3415 -0.0455 0.9388 0.1648 -0.9863 0.0122 57.733 12.632 70.696 A 57 HIS A 70 HIS^? A 102 ASP A 81 ASP.? A 193 GLY A 67 GLY.? ULMNm 3 2lpr_c02 ALPHA-LYTIC PROTEASE user 1 3 RMSD = 1.22 A TRANSFORM 0.6010 0.6622 0.4475 0.4163 -0.7373 0.5320 -0.6822 0.1335 0.7188 -21.374 10.738 3.262 A 57 HIS A 70 HIS^? A 102 ASP A 81 ASP.? A 193 GLY A 67 GLY.? ULMNm 3 1rtf_c06 TWO CHAIN TISSUE PLASMINOGEN ACTIVATuser 1 3 RMSD = 1.24 A TRANSFORM 0.2827 0.8835 0.3734 0.1712 -0.4295 0.8867 -0.9438 0.1867 0.2727 -35.064 -3.693 47.644 B 57 HIS A 70 HIS^? B 102 ASP A 81 ASP.? B 193 GLY A 67 GLY.? ULMNm 3 1pp4_c03 RHAMNOGALACTURONAN ACETYLESTERASE user 2 3 RMSD = 1.24 A TRANSFORM 0.2364 -0.1115 0.9652 0.6862 -0.6842 -0.2471 -0.6880 -0.7207 0.0852 -31.999 60.360 26.554 B 74 ASN A 52 ASN^? B 192 ASP A 81 ASP.? B 195 HIS A 70 HIS^? ULMNm 3 1ssx_c02 ALPHA-LYTIC PROTEASE user 1 3 RMSD = 1.25 A TRANSFORM 0.6047 0.6490 0.4618 0.4106 -0.7508 0.5174 -0.6825 0.1233 0.7204 -21.770 11.563 3.366 A 57 HIS A 70 HIS^? A 102 ASP A 81 ASP.? A 193 GLY A 67 GLY.? ULMNm 3 1bp2_c00 PHOSPHOLIPASE A2 (E.C.3.1.1.4) (PHOSuser 1 3 RMSD = 1.27 A TRANSFORM -0.9041 -0.4244 0.0504 -0.2326 0.5875 0.7751 0.3586 -0.6890 0.6299 38.833 -18.845 3.694 30 GLY A 67 GLY.? 48 HIS A 70 HIS^? 99 ASP A 81 ASP.? ULMNm 3 1emd_c01 MALATE DEHYDROGENASE (E.C.1.1.1.37) user 2 3 RMSD = 1.29 A TRANSFORM -0.7516 0.5463 -0.3695 0.3342 0.7985 0.5007 -0.5686 -0.2529 0.7828 29.361 -37.452 1.722 150 ASP A 81 ASP.? 153 ARG A 82 ARG.? 177 HIS A 70 HIS^? ULMNm 3 1rgq_c01 NS4A PEPTIDE user 2 3 RMSD = 1.30 A TRANSFORM -0.5325 -0.3719 0.7603 0.8464 -0.2323 0.4792 0.0016 -0.8988 -0.4385 6.558 -12.812 9.787 B 60 HIS A 70 HIS^? B 84 ASP A 81 ASP.? B 140 GLY A 67 GLY.? ULMNm 3 1sca_c01 SUBTILISIN CARLSBERG (E.C.3.4.21.62)user 2 3 RMSD = 1.32 A TRANSFORM -0.8611 -0.1191 0.4944 0.2723 0.7131 0.6461 0.4294 -0.6909 0.5815 78.110 29.427 39.570 32 ASP A 81 ASP.? 64 HIS A 70 HIS^? 155 ASN A 52 ASN^? ULMNm 3 1gns_c00 SUBTILISIN BPN' user 2 3 RMSD = 1.33 A TRANSFORM -0.7788 0.6122 -0.1365 -0.5739 -0.6075 0.5493 -0.2533 -0.5061 -0.8244 15.245 35.907 72.114 A 32 ASP A 81 ASP.? A 64 HIS A 70 HIS^? A 155 ASN A 52 ASN^? ULMNm 3 1bol_c00 RIBONUCLEASE RH user 1 3 RMSD = 1.33 A TRANSFORM -0.6994 -0.7021 0.1335 0.2915 -0.1096 0.9503 0.6526 -0.7036 -0.2814 52.392 -4.833 19.086 A 46 HIS A 7 HIS~? A 105 GLU A 55 GLU~? A 109 HIS A 58 HIS.? ULMNm 3 4mdh_c02 CYTOPLASMIC MALATE DEHYDROGENASE (E.user 1 3 RMSD = 1.36 A TRANSFORM 0.8073 -0.5897 0.0225 -0.5819 -0.8018 -0.1359 -0.0982 -0.0966 0.9905 9.946 56.735 20.061 A 158 ASP A 81 ASP.? A 161 ARG A 82 ARG.? A 186 HIS A 70 HIS^? ULMNm 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 2 3 RMSD = 1.37 A TRANSFORM 0.2852 -0.4912 0.8231 -0.3986 0.7201 0.5679 0.8717 0.4900 -0.0096 42.226 65.995 5.235 229 ASP A 27 ASP.? 264 GLU A 92 GLU~? 328 ASP A 25 ASP.? ULMNm 3 1cjy_c01 CYTOSOLIC PHOSPHOLIPASE A2 user 2 3 RMSD = 1.43 A TRANSFORM -0.5639 0.7832 -0.2618 -0.8238 -0.5116 0.2440 -0.0572 -0.3533 -0.9338 130.929 105.449 152.311 B1198 GLY A 100 GLY~? B1228 SER A 28 SER.? B1549 ASP A 27 ASP.? ULMNm 3 1be1_c02 GLUTAMATE MUTASE user 2 3 RMSD = 1.43 A TRANSFORM -0.6684 -0.1119 -0.7354 0.7388 0.0146 -0.6737 -0.0861 0.9936 -0.0729 33.284 11.716 -21.621 14 ASP A 72 ASP^? 16 HIS A 58 HIS.? 67 GLY A 36 GLY.? ULMNm 3 1bf2_c00 ISOAMYLASE user 1 3 RMSD = 1.45 A TRANSFORM 0.9643 0.1197 0.2360 -0.2480 0.0970 0.9639 -0.0925 0.9881 -0.1233 54.949 64.130 18.157 375 ASP A 27 ASP.? 435 GLU A 101 GLU.? 510 ASP A 25 ASP.? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 2 3 RMSD = 1.46 A TRANSFORM 0.8959 -0.1542 -0.4166 0.1040 0.9845 -0.1409 -0.4319 -0.0829 -0.8981 58.338 -14.532 52.010 A 67 ASP A 11 ASP~? A 68 ALA A 10 ALA~? A 72 LEU A 13 LEU~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 1 3 RMSD = 1.47 A TRANSFORM 0.1348 0.0045 0.9909 -0.8479 -0.5170 0.1177 -0.5128 0.8560 0.0659 -35.550 24.916 -9.131 141 ASP A 72 ASP^? 166 GLY A 37 GLY.? 169 GLU A 33 GLU^? ULMNm 3 1eyi_c00 FRUCTOSE-1,6-BISPHOSPHATASE user 1 3 RMSD = 1.49 A TRANSFORM 0.6678 0.6357 0.3872 -0.0328 -0.4946 0.8685 -0.7436 0.5927 0.3095 -26.180 13.046 18.998 A 68 ASP A 25 ASP.? A 74 ASP A 27 ASP.? A 98 GLU A 101 GLU.? ULMNm 3 1xva_c03 GLYCINE N-METHYLTRANSFERASE user 1 3 RMSD = 1.50 A TRANSFORM -0.7096 -0.6540 0.2622 -0.0129 -0.3600 -0.9329 -0.7044 0.6654 -0.2470 119.990 105.615 18.658 B 137 GLY A 84 GLY.? B 175 ARG A 82 ARG.? B 242 TYR A 69 TYR^?