*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 4 1bbs_c03 RENIN user 2 4 RMSD = 1.18 A TRANSFORM 0.2746 0.7821 -0.5593 0.7905 -0.5148 -0.3318 -0.5475 -0.3510 -0.7597 63.545 37.572 113.472 32 ASP A 122 ASP.? 35 SER A 124 SER~? 215 ASP B 197 ASP.? 218 ALA B 193 ALA^? ULMNm 4 1bbs_c02 RENIN user 2 4 RMSD = 1.18 A TRANSFORM 0.2746 0.7821 -0.5593 0.7905 -0.5148 -0.3318 -0.5475 -0.3510 -0.7597 63.545 37.572 113.472 32 ASP A 122 ASP.? 35 SER A 124 SER~? 215 ASP B 197 ASP.? 218 ALA B 193 ALA^? ULMNm 4 1bbs_c02 RENIN user 4 4 RMSD = 1.19 A TRANSFORM 0.7318 -0.6786 -0.0624 0.5743 0.6634 -0.4796 0.3669 0.3151 0.8753 70.394 21.586 37.840 32 ASP B 122 ASP.? 35 SER B 124 SER~? 215 ASP A 197 ASP.? 218 ALA A 193 ALA^? ULMNm 4 1bbs_c03 RENIN user 4 4 RMSD = 1.19 A TRANSFORM 0.7318 -0.6786 -0.0624 0.5743 0.6634 -0.4796 0.3669 0.3151 0.8753 70.394 21.586 37.840 32 ASP B 122 ASP.? 35 SER B 124 SER~? 215 ASP A 197 ASP.? 218 ALA A 193 ALA^? ULMNm 4 1rne_c02 RENIN (ACTIVATED, GLYCOSYLATED, INHIuser 2 4 RMSD = 1.19 A TRANSFORM 0.5421 -0.7018 -0.4621 -0.5115 -0.7120 0.4811 -0.6666 -0.0244 -0.7450 14.481 22.240 108.459 32 ASP A 122 ASP.? 35 SER A 124 SER~? 215 ASP B 197 ASP.? 218 ALA B 193 ALA^? ULMNm 4 1rne_c02 RENIN (ACTIVATED, GLYCOSYLATED, INHIuser 4 4 RMSD = 1.20 A TRANSFORM 0.5494 0.8155 -0.1819 -0.7599 0.5782 0.2970 0.3474 -0.0249 0.9374 -24.255 6.327 43.096 32 ASP B 122 ASP.? 35 SER B 124 SER~? 215 ASP A 197 ASP.? 218 ALA A 193 ALA^? ULMNm 3 1lij_c01 ADENOSINE KINASE user 3 3 RMSD = 0.44 A TRANSFORM 0.4201 -0.7053 0.5710 -0.0945 0.5918 0.8005 -0.9025 -0.3903 0.1820 141.292 -11.241 22.955 A 316 ALA A 195 ALA.? A 317 GLY A 196 GLY.? A 318 ASP A 197 ASP.? ULMNm 3 1lij_c01 ADENOSINE KINASE user 6 3 RMSD = 0.44 A TRANSFORM -0.3891 0.7065 -0.5912 -0.6975 -0.6452 -0.3119 -0.6018 0.2910 0.7437 160.004 56.209 -12.151 A 316 ALA B 195 ALA.? A 317 GLY B 196 GLY.? A 318 ASP B 197 ASP.? ULMNm 3 1lio_c01 ADENOSINE KINASE user 6 3 RMSD = 0.47 A TRANSFORM -0.3447 -0.8626 0.3703 0.6655 -0.5028 -0.5517 0.6621 0.0563 0.7473 40.384 27.772 1.923 A 316 ALA B 195 ALA.? A 317 GLY B 196 GLY.? A 318 ASP B 197 ASP.? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 3 3 RMSD = 0.48 A TRANSFORM 0.3542 -0.7251 -0.5906 0.9275 0.1915 0.3212 -0.1198 -0.6615 0.7403 49.435 -48.958 0.903 A 250 ALA A 195 ALA.? A 251 GLY A 196 GLY.? A 252 ASP A 197 ASP.? ULMNm 3 1lio_c01 ADENOSINE KINASE user 3 3 RMSD = 0.49 A TRANSFORM -0.5649 0.8026 0.1915 0.7402 0.5955 -0.3122 -0.3647 -0.0346 -0.9305 15.532 -2.633 69.664 A 316 ALA A 195 ALA.? A 317 GLY A 196 GLY.? A 318 ASP A 197 ASP.? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 6 3 RMSD = 0.49 A TRANSFORM 0.6134 0.7897 -0.0064 0.1464 -0.1217 -0.9817 -0.7760 0.6013 -0.1903 -2.550 8.254 13.359 A 250 ALA B 195 ALA.? A 251 GLY B 196 GLY.? A 252 ASP B 197 ASP.? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 3 3 RMSD = 0.50 A TRANSFORM -0.8246 -0.3155 -0.4696 -0.5645 0.4061 0.7186 -0.0360 0.8577 -0.5129 52.887 -34.789 -59.294 B 250 ALA A 195 ALA.? B 251 GLY A 196 GLY.? B 252 ASP A 197 ASP.? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 6 3 RMSD = 0.50 A TRANSFORM 0.0198 0.2635 0.9645 -0.8519 -0.5004 0.1542 0.5233 -0.8247 0.2146 -14.585 4.787 -55.730 B 250 ALA B 195 ALA.? B 251 GLY B 196 GLY.? B 252 ASP B 197 ASP.? ULMNm 3 1xny_c00 PROPIONYL-COA CARBOXYLASE COMPLEX B user 1 3 RMSD = 0.62 A TRANSFORM 0.7860 -0.3304 -0.5225 -0.2280 0.6306 -0.7419 0.5746 0.7023 0.4203 23.681 -51.384 -162.024 A 183 GLY A 123 GLY~? B 419 GLY B 196 GLY.? B 420 ALA B 195 ALA.? ULMNm 3 1xny_c00 PROPIONYL-COA CARBOXYLASE COMPLEX B user 2 3 RMSD = 0.62 A TRANSFORM 0.7501 0.4934 -0.4404 0.6612 -0.5711 0.4864 -0.0116 -0.6560 -0.7546 5.178 -78.189 -90.998 A 183 GLY B 123 GLY~? B 419 GLY A 196 GLY.? B 420 ALA A 195 ALA.? ULMNm 3 1rne_c04 RENIN (ACTIVATED, GLYCOSYLATED, INHIuser 5 3 RMSD = 0.73 A TRANSFORM 0.6114 0.7907 0.0324 -0.7477 0.5638 0.3508 0.2591 -0.2387 0.9359 -30.462 5.227 52.086 32 ASP B 122 ASP.? 35 SER B 124 SER~? 215 ASP A 197 ASP.? ULMNm 3 1avf_c05 GASTRICSIN user 2 3 RMSD = 0.74 A TRANSFORM 0.3794 -0.9200 0.0988 -0.7638 -0.2512 0.5946 -0.5222 -0.3010 -0.7980 -44.009 -11.854 54.376 J 32 ASP A 122 ASP.? J 35 SER A 124 SER~? J 217 ASP B 197 ASP.? ULMNm 3 1rne_c04 RENIN (ACTIVATED, GLYCOSYLATED, INHIuser 2 3 RMSD = 0.74 A TRANSFORM 0.3825 -0.6897 -0.6149 -0.5668 -0.7007 0.4333 -0.7297 0.1828 -0.6589 21.789 24.717 106.058 32 ASP A 122 ASP.? 35 SER A 124 SER~? 215 ASP B 197 ASP.? ULMNm 3 1apt_c04 ISOVALERYL (IVA)-VAL-VAL-LYSTA-O-ET user 5 3 RMSD = 0.76 A TRANSFORM 0.7251 0.4248 0.5419 -0.1356 -0.6835 0.7172 0.6751 -0.5936 -0.4381 -18.531 22.273 33.762 E 33 ASP B 122 ASP.? E 36 SER B 124 SER~? E 213 ASP A 197 ASP.? ULMNm 3 1avf_c05 GASTRICSIN user 6 3 RMSD = 0.76 A TRANSFORM -0.0463 0.9564 -0.2883 -0.9137 0.0761 0.3992 0.4037 0.2819 0.8704 -63.240 -9.817 -20.774 J 32 ASP B 122 ASP.? J 35 SER B 124 SER~? J 217 ASP A 197 ASP.? ULMNm 3 1apt_c04 ISOVALERYL (IVA)-VAL-VAL-LYSTA-O-ET user 2 3 RMSD = 0.77 A TRANSFORM -0.0651 -0.3615 -0.9301 -0.7942 0.5831 -0.1711 0.6042 0.7275 -0.3251 52.962 33.396 5.662 E 33 ASP A 122 ASP.? E 36 SER A 124 SER~? E 213 ASP B 197 ASP.? ULMNm 3 1mpp_c04 PEPSIN (RENIN) (E.C.3.4.23.23) user 2 3 RMSD = 0.78 A TRANSFORM -0.4326 -0.5769 0.6928 0.1351 0.7183 0.6825 -0.8914 0.3889 -0.2328 18.054 -9.763 57.628 32 ASP A 122 ASP.? 35 SER A 124 SER~? 215 ASP B 197 ASP.? ULMNm 3 1mpp_c04 PEPSIN (RENIN) (E.C.3.4.23.23) user 6 3 RMSD = 0.79 A TRANSFORM -0.8923 0.4412 0.0956 -0.4232 -0.7439 -0.5173 -0.1572 -0.5020 0.8505 22.972 63.391 32.155 32 ASP B 122 ASP.? 35 SER B 124 SER~? 215 ASP A 197 ASP.? ULMNm 3 1avf_c04 GASTRICSIN user 2 3 RMSD = 0.79 A TRANSFORM 0.5450 0.1363 0.8273 0.7986 0.2161 -0.5617 -0.2554 0.9668 0.0089 -44.193 -4.469 50.291 A 32 ASP A 122 ASP.? A 35 SER A 124 SER~? A 217 ASP B 197 ASP.? ULMNm 3 2jxr_c04 LIGAND CP-081282 user 2 3 RMSD = 0.79 A TRANSFORM -0.8501 0.5232 0.0599 0.4404 0.7688 -0.4637 -0.2886 -0.3679 -0.8840 2.206 57.713 75.031 A 32 ASP A 122 ASP.? A 35 SER A 124 SER~? A 215 ASP B 197 ASP.? ULMNm 3 2apr_c04 ACID PROTEINASE (RHIZOPUSPEPSIN) (E.user 2 3 RMSD = 0.80 A TRANSFORM 0.4626 0.5428 -0.7010 0.8610 -0.0867 0.5011 0.2112 -0.8354 -0.5075 43.773 25.746 117.229 35 ASP A 122 ASP.? 38 SER A 124 SER~? 218 ASP B 197 ASP.? ULMNm 3 1eag_c04 PEPTIDE INHIBITOR user 5 3 RMSD = 0.80 A TRANSFORM -0.5873 0.5259 0.6152 0.3411 0.8501 -0.4011 -0.7340 -0.0258 -0.6787 26.332 -5.253 42.943 A 32 ASP B 122 ASP.? A 35 SER B 124 SER~? A 218 ASP A 197 ASP.? ULMNm 3 2apr_c04 ACID PROTEINASE (RHIZOPUSPEPSIN) (E.user 6 3 RMSD = 0.80 A TRANSFORM 0.9085 -0.4021 -0.1138 -0.0450 0.1768 -0.9832 0.4154 0.8984 0.1425 37.904 78.223 60.339 35 ASP B 122 ASP.? 38 SER B 124 SER~? 218 ASP A 197 ASP.? ULMNm 3 1eag_c04 PEPTIDE INHIBITOR user 2 3 RMSD = 0.81 A TRANSFORM -0.7281 -0.6643 0.1690 0.6411 -0.7472 -0.1753 0.2427 -0.0193 0.9699 64.971 15.324 -21.164 A 32 ASP A 122 ASP.? A 35 SER A 124 SER~? A 218 ASP B 197 ASP.? ULMNm 3 2jxr_c04 LIGAND CP-081282 user 5 3 RMSD = 0.81 A TRANSFORM -0.3699 -0.6559 0.6580 0.7266 -0.6456 -0.2350 0.5789 0.3912 0.7154 0.771 74.202 -0.771 A 32 ASP B 122 ASP.? A 35 SER B 124 SER~? A 215 ASP A 197 ASP.? ULMNm 3 1eed_c04 ENDOTHIAPEPSIN (E.C.3.4.23.22) COMPLuser 6 3 RMSD = 0.82 A TRANSFORM -0.1439 0.7377 0.6596 0.9735 -0.0143 0.2284 0.1779 0.6749 -0.7161 -29.418 6.333 2.023 P 32 ASP B 122 ASP.? P 35 SER B 124 SER~? P 215 ASP A 197 ASP.? ULMNm 3 1eed_c04 ENDOTHIAPEPSIN (E.C.3.4.23.22) COMPLuser 2 3 RMSD = 0.82 A TRANSFORM -0.5257 -0.8108 -0.2573 0.2556 0.1380 -0.9569 0.8114 -0.5688 0.1347 34.120 49.766 -8.041 P 32 ASP A 122 ASP.? P 35 SER A 124 SER~? P 215 ASP B 197 ASP.? ULMNm 3 1cms_c04 CHYMOSIN B (FORMERLY KNOWN AS RENNINuser 2 3 RMSD = 0.82 A TRANSFORM 0.2247 -0.8310 0.5088 -0.9742 -0.2030 0.0987 0.0212 -0.5178 -0.8552 3.798 48.933 52.727 34 ASP A 122 ASP.? 37 SER A 124 SER~? 216 ASP B 197 ASP.? ULMNm 3 1am5_c04 PEPSIN user 6 3 RMSD = 0.83 A TRANSFORM -0.8573 0.5018 0.1149 -0.3057 -0.6758 0.6706 0.4142 0.5398 0.7328 -8.727 22.980 98.099 32 ASP B 122 ASP.? 35 SER B 124 SER~? 215 ASP A 197 ASP.? ULMNm 3 1am5_c04 PEPSIN user 2 3 RMSD = 0.83 A TRANSFORM -0.4222 -0.6335 0.6484 -0.8325 0.5541 -0.0007 -0.3588 -0.5401 -0.7613 -9.063 26.325 175.644 32 ASP A 122 ASP.? 35 SER A 124 SER~? 215 ASP B 197 ASP.? ULMNm 3 1sme_c04 PLASMEPSIN II user 6 3 RMSD = 0.88 A TRANSFORM 0.4133 0.5793 -0.7025 0.9076 -0.3243 0.2666 -0.0734 -0.7478 -0.6598 39.538 44.734 63.795 A 34 ASP B 122 ASP.? A 37 SER B 124 SER~? A 214 ASP A 197 ASP.? ULMNm 3 1sme_c04 PLASMEPSIN II user 2 3 RMSD = 0.90 A TRANSFORM 0.8952 -0.4403 -0.0692 0.1422 0.4292 -0.8920 0.4225 0.7886 0.4468 33.887 76.162 -6.953 A 34 ASP A 122 ASP.? A 37 SER A 124 SER~? A 214 ASP B 197 ASP.? ULMNm 3 1sme_c05 PLASMEPSIN II user 6 3 RMSD = 0.92 A TRANSFORM 0.9607 0.2712 0.0587 0.1177 -0.5898 0.7989 0.2513 -0.7606 -0.5986 -15.291 95.719 89.168 B 34 ASP B 122 ASP.? B 37 SER B 124 SER~? B 214 ASP A 197 ASP.? ULMNm 3 1sme_c05 PLASMEPSIN II user 2 3 RMSD = 0.92 A TRANSFORM 0.4407 -0.1278 -0.8885 -0.7330 0.5201 -0.4385 0.5181 0.8445 0.1355 29.026 123.323 31.739 B 34 ASP A 122 ASP.? B 37 SER A 124 SER~? B 214 ASP B 197 ASP.? ULMNm 3 1bbs_c06 RENIN user 2 3 RMSD = 0.97 A TRANSFORM 0.3346 0.8135 -0.4756 0.6989 -0.5528 -0.4538 -0.6321 -0.1806 -0.7536 59.751 42.944 113.838 32 ASP A 122 ASP.? 35 SER A 124 SER~? 215 ASP B 197 ASP.? ULMNm 3 1bbs_c07 RENIN user 2 3 RMSD = 0.97 A TRANSFORM 0.3346 0.8135 -0.4756 0.6989 -0.5528 -0.4538 -0.6321 -0.1806 -0.7536 59.751 42.944 113.838 32 ASP A 122 ASP.? 35 SER A 124 SER~? 215 ASP B 197 ASP.? ULMNm 3 1bbs_c07 RENIN user 6 3 RMSD = 0.97 A TRANSFORM 0.6934 -0.7063 -0.1428 0.6382 0.6939 -0.3335 0.3347 0.1401 0.9319 74.179 15.284 42.794 32 ASP B 122 ASP.? 35 SER B 124 SER~? 215 ASP A 197 ASP.? ULMNm 3 1bbs_c06 RENIN user 6 3 RMSD = 0.97 A TRANSFORM 0.6934 -0.7063 -0.1428 0.6382 0.6939 -0.3335 0.3347 0.1401 0.9319 74.179 15.284 42.794 32 ASP B 122 ASP.? 35 SER B 124 SER~? 215 ASP A 197 ASP.? ULMNm 3 1hto_c00 GLUTAMINE SYNTHETASE user 1 3 RMSD = 0.98 A TRANSFORM 0.2160 0.6461 -0.7321 -0.9352 0.3523 0.0350 0.2805 0.6771 0.6803 88.380 56.408 99.401 A 50 ASP A 132 ASP~? A 327 GLU B 135 GLU~? A 339 ARG B 130 ARG^? ULMNm 3 1hto_c00 GLUTAMINE SYNTHETASE user 3 3 RMSD = 1.00 A TRANSFORM 0.8446 -0.5314 0.0649 -0.3723 -0.4959 0.7845 -0.3847 -0.6868 -0.6167 78.427 42.067 175.613 A 50 ASP B 132 ASP~? A 327 GLU A 135 GLU~? A 339 ARG A 130 ARG^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 14 3 RMSD = 1.05 A TRANSFORM -0.9985 0.0480 0.0255 0.0106 0.6320 -0.7749 -0.0533 -0.7734 -0.6316 11.831 14.196 39.994 141 ASP A 172 ASP^? 166 GLY A 196 GLY.? 169 GLU B 179 GLU^? ULMNm 3 1lio_c01 ADENOSINE KINASE user 1 3 RMSD = 1.05 A TRANSFORM -0.0861 -0.9959 0.0262 -0.2752 -0.0015 -0.9614 0.9575 -0.0899 -0.2739 42.816 36.636 41.110 A 316 ALA A 134 ALA~? A 317 GLY A 133 GLY~? A 318 ASP A 132 ASP~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 34 3 RMSD = 1.06 A TRANSFORM -0.4528 0.1314 -0.8819 0.5048 0.8530 -0.1322 0.7349 -0.5051 -0.4526 76.650 4.748 26.886 A 229 ALA B 221 ALA^? A 257 ALA B 154 ALA^? A 328 ASP B 143 ASP^? ULMNm 3 1lio_c01 ADENOSINE KINASE user 4 3 RMSD = 1.07 A TRANSFORM -0.2222 0.9647 0.1410 0.7655 0.0831 0.6381 0.6038 0.2497 -0.7570 2.790 -28.941 55.494 A 316 ALA B 134 ALA~? A 317 GLY B 133 GLY~? A 318 ASP B 132 ASP~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 12 3 RMSD = 1.07 A TRANSFORM 0.5653 -0.1290 0.8147 0.4607 -0.7699 -0.4416 0.6842 0.6250 -0.3758 15.412 46.995 2.905 A 229 ALA A 221 ALA^? A 257 ALA A 154 ALA^? A 328 ASP A 143 ASP^? ULMNm 3 1geq_c02 TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT user 1 3 RMSD = 1.08 A TRANSFORM -0.4529 0.6394 -0.6213 0.3082 0.7662 0.5638 0.8366 0.0639 -0.5441 42.036 -14.874 77.775 A 36 GLU A 173 GLU^? A 47 ASP A 143 ASP^? A 161 TYR A 171 TYR.? ULMNm 3 1geq_c03 TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT user 1 3 RMSD = 1.08 A TRANSFORM -0.3052 -0.7079 -0.6369 0.3896 -0.7031 0.5948 -0.8690 -0.0666 0.4904 87.518 33.189 50.849 B 36 GLU A 173 GLU^? B 47 ASP A 143 ASP^? B 161 TYR A 171 TYR.? ULMNm 3 2odj_o01 PORIN D user 3 3 RMSD = 1.08 A TRANSFORM -0.8975 -0.0352 -0.4396 0.1701 0.8921 -0.4187 0.4069 -0.4505 -0.7946 10.944 -29.086 105.553 B 156 HIS A 186 HIS^? B 208 ASP A 172 ASP^? B 296 SER B 124 SER~? ULMNm 3 2odj_o00 PORIN D user 8 3 RMSD = 1.09 A TRANSFORM -0.5561 -0.4354 -0.7079 -0.6817 0.7262 0.0889 0.4754 0.5320 -0.7007 58.054 22.409 43.516 A 156 HIS B 186 HIS^? A 208 ASP B 172 ASP^? A 296 SER B 214 SER^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 30 3 RMSD = 1.10 A TRANSFORM -0.4807 -0.1787 0.8585 0.7689 -0.5565 0.3147 0.4215 0.8114 0.4049 -16.500 -6.151 -29.679 141 ASP B 172 ASP^? 166 GLY B 196 GLY.? 169 GLU A 179 GLU^? ULMNm 3 2odj_o00 PORIN D user 2 3 RMSD = 1.11 A TRANSFORM 0.3231 0.3977 0.8588 -0.3077 -0.8140 0.4927 0.8950 -0.4234 -0.1406 -18.413 35.273 39.197 A 156 HIS A 186 HIS^? A 208 ASP A 172 ASP^? A 296 SER A 214 SER^? ULMNm 3 1lij_c01 ADENOSINE KINASE user 1 3 RMSD = 1.12 A TRANSFORM -0.5026 0.7472 0.4348 -0.7669 -0.6175 0.1746 0.3990 -0.2457 0.8834 130.064 29.714 -13.272 A 316 ALA A 134 ALA~? A 317 GLY A 133 GLY~? A 318 ASP A 132 ASP~? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.13 A TRANSFORM 0.8818 -0.1822 0.4349 -0.4138 -0.7414 0.5283 0.2262 -0.6458 -0.7292 9.071 -15.375 -30.622 B 250 ALA A 134 ALA~? B 251 GLY A 133 GLY~? B 252 ASP A 132 ASP~? ULMNm 3 1t4c_c02 FORMYL-COENZYME A TRANSFERASE user 1 3 RMSD = 1.13 A TRANSFORM 0.7660 -0.6369 0.0878 0.5685 0.7348 0.3701 -0.3003 -0.2336 0.9248 58.517 -15.462 3.754 A 261 GLY A 180 GLY^? B 17 GLN A 159 GLN^? B 140 GLU A 179 GLU^? ULMNm 3 1lij_c01 ADENOSINE KINASE user 4 3 RMSD = 1.13 A TRANSFORM -0.4668 -0.8551 0.2258 -0.5588 0.4830 0.6741 -0.6854 0.1885 -0.7033 166.673 -10.980 42.550 A 316 ALA B 134 ALA~? A 317 GLY B 133 GLY~? A 318 ASP B 132 ASP~? ULMNm 3 2odj_o01 PORIN D user 6 3 RMSD = 1.14 A TRANSFORM -0.0328 -0.0494 0.9982 0.5665 -0.8238 -0.0222 0.8234 0.5647 0.0550 -44.999 -12.709 53.756 B 156 HIS B 186 HIS^? B 208 ASP B 172 ASP^? B 296 SER A 124 SER~? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 4 3 RMSD = 1.14 A TRANSFORM -0.0789 0.2459 -0.9661 -0.7621 0.6099 0.2175 0.6427 0.7534 0.1392 58.166 -27.898 -90.172 B 250 ALA B 134 ALA~? B 251 GLY B 133 GLY~? B 252 ASP B 132 ASP~? ULMNm 3 1geq_c02 TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT user 2 3 RMSD = 1.15 A TRANSFORM 0.3853 -0.6471 0.6578 -0.2560 -0.7598 -0.5976 0.8866 0.0619 -0.4585 16.539 58.906 74.667 A 36 GLU B 173 GLU^? A 47 ASP B 143 ASP^? A 161 TYR B 171 TYR.? ULMNm 3 1geq_c03 TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT user 2 3 RMSD = 1.15 A TRANSFORM 0.3269 0.7068 0.6274 -0.4001 0.7049 -0.5857 -0.8562 -0.0596 0.5132 11.845 52.563 49.652 B 36 GLU B 173 GLU^? B 47 ASP B 143 ASP^? B 161 TYR B 171 TYR.? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.16 A TRANSFORM 0.4948 0.8565 -0.1467 -0.7738 0.3575 -0.5228 -0.3954 0.3722 0.8397 12.659 -11.220 -17.858 A 250 ALA A 134 ALA~? A 251 GLY A 133 GLY~? A 252 ASP A 132 ASP~? ULMNm 3 1t4c_c02 FORMYL-COENZYME A TRANSFERASE user 2 3 RMSD = 1.16 A TRANSFORM 0.2353 0.7206 -0.6522 0.0331 -0.6766 -0.7356 -0.9714 0.1515 -0.1830 61.036 53.798 39.110 A 261 GLY B 180 GLY^? B 17 GLN B 159 GLN^? B 140 GLU B 179 GLU^? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 4 3 RMSD = 1.17 A TRANSFORM 0.4668 -0.7582 -0.4552 0.2298 -0.3931 0.8903 -0.8540 -0.5202 -0.0093 54.696 -54.851 31.564 A 250 ALA B 134 ALA~? A 251 GLY B 133 GLY~? A 252 ASP B 132 ASP~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 19 3 RMSD = 1.20 A TRANSFORM -0.2922 0.4549 0.8412 0.5703 0.7890 -0.2285 -0.7677 0.4130 -0.4900 -32.929 -16.762 21.520 141 ASP B 143 ASP^? 166 GLY A 196 GLY.? 169 GLU A 179 GLU^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 31 3 RMSD = 1.25 A TRANSFORM -0.8101 -0.4220 0.4070 -0.1375 -0.5382 -0.8315 0.5700 -0.7296 0.3780 6.999 47.015 -9.127 141 ASP B 172 ASP^? 166 GLY B 196 GLY.? 169 GLU B 179 GLU^? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 5 3 RMSD = 1.25 A TRANSFORM -0.7458 0.5368 0.3945 -0.1273 -0.6961 0.7066 0.6539 0.4767 0.5875 29.857 16.359 -22.817 A 229 ALA A 155 ALA^? A 257 ALA A 154 ALA^? A 328 ASP A 149 ASP~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 27 3 RMSD = 1.26 A TRANSFORM -0.6313 -0.6502 0.4227 -0.7602 0.6266 -0.1717 -0.1533 -0.4297 -0.8899 50.881 25.869 51.702 A 229 ALA B 155 ALA^? A 257 ALA B 154 ALA^? A 328 ASP B 149 ASP~? ULMNm 3 1lio_c01 ADENOSINE KINASE user 5 3 RMSD = 1.26 A TRANSFORM 0.0140 0.5541 0.8323 -0.2814 0.8009 -0.5285 -0.9595 -0.2268 0.1672 -15.945 25.537 56.257 A 316 ALA B 155 ALA^? A 317 GLY B 156 GLY^? A 318 ASP B 143 ASP^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 33 3 RMSD = 1.26 A TRANSFORM 0.3294 -0.1220 0.9363 -0.8798 0.3203 0.3512 -0.3427 -0.9394 -0.0018 -24.716 15.032 20.563 141 ASP B 197 ASP.? 166 GLY A 140 GLY^? 169 GLU A 101 GLU.? ULMNm 3 1lio_c01 ADENOSINE KINASE user 2 3 RMSD = 1.27 A TRANSFORM -0.6435 -0.6202 -0.4487 0.4155 -0.7753 0.4757 -0.6429 0.1196 0.7566 55.827 16.502 27.036 A 316 ALA A 155 ALA^? A 317 GLY A 156 GLY^? A 318 ASP A 143 ASP^? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 15 3 RMSD = 1.27 A TRANSFORM 0.0737 -0.3047 0.9496 0.4368 -0.8462 -0.3054 0.8965 0.4373 0.0707 17.394 45.213 -7.168 A 229 ALA A 221 ALA^? A 257 ALA A 224 ALA.? A 328 ASP A 143 ASP^? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 2 3 RMSD = 1.28 A TRANSFORM -0.2092 0.8368 0.5059 -0.6046 -0.5173 0.6056 0.7685 -0.1792 0.6142 8.186 -88.365 -155.469 A 420 ALA A 193 ALA^? B 182 GLY B 123 GLY~? B 183 GLY A 196 GLY.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 4 3 RMSD = 1.28 A TRANSFORM -0.6161 0.3993 -0.6790 -0.7319 0.0282 0.6808 0.2910 0.9164 0.2749 26.073 -3.117 -16.706 141 ASP A 143 ASP^? 166 GLY A 117 GLY.? 169 GLU B 189 GLU^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 13 3 RMSD = 1.29 A TRANSFORM -0.7881 0.2828 0.5468 0.5903 0.5992 0.5409 -0.1747 0.7490 -0.6392 -11.483 -27.884 3.104 141 ASP A 172 ASP^? 166 GLY A 196 GLY.? 169 GLU A 179 GLU^? ULMNm 3 2odj_o01 PORIN D user 8 3 RMSD = 1.29 A TRANSFORM -0.4670 -0.5801 0.6673 0.7702 -0.6376 -0.0154 0.4344 0.5068 0.7446 -19.473 -18.222 31.026 B 156 HIS B 186 HIS^? B 208 ASP B 172 ASP^? B 296 SER B 214 SER^? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 37 3 RMSD = 1.31 A TRANSFORM -0.8618 0.2519 -0.4402 0.3565 0.9182 -0.1725 0.3608 -0.3056 -0.8812 61.567 7.277 44.531 A 229 ALA B 221 ALA^? A 257 ALA B 224 ALA.? A 328 ASP B 143 ASP^? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 3 3 RMSD = 1.31 A TRANSFORM -0.4120 -0.9025 -0.1257 -0.8880 0.3668 0.2774 -0.2043 0.2259 -0.9525 64.463 -92.061 -102.059 A 420 ALA B 193 ALA^? B 182 GLY A 123 GLY~? B 183 GLY B 196 GLY.? ULMNm 3 1lij_c01 ADENOSINE KINASE user 5 3 RMSD = 1.32 A TRANSFORM 0.7153 -0.4577 -0.5282 0.6873 0.5974 0.4132 0.1264 -0.6586 0.7418 163.231 -21.962 -14.984 A 316 ALA B 155 ALA^? A 317 GLY B 156 GLY^? A 318 ASP B 143 ASP^? ULMNm 3 1thg_c00 LIPASE (E.C.3.1.1.3) TRIACYLGLYCEROLuser 1 3 RMSD = 1.33 A TRANSFORM -0.0490 -0.8779 0.4763 -0.9978 0.0645 0.0163 -0.0451 -0.4744 -0.8791 62.585 11.639 36.873 217 SER A 205 SER.? 354 GLU A 187 GLU.? 463 HIS A 186 HIS^? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 5 3 RMSD = 1.33 A TRANSFORM -0.5342 -0.6134 0.5817 0.5696 0.2472 0.7839 -0.6246 0.7501 0.2173 20.013 -64.844 -65.404 B 250 ALA B 155 ALA^? B 251 GLY B 156 GLY^? B 252 ASP B 143 ASP^? ULMNm 3 1lij_c01 ADENOSINE KINASE user 2 3 RMSD = 1.33 A TRANSFORM 0.7482 0.5699 -0.3396 0.0530 -0.5616 -0.8257 -0.6613 0.5998 -0.4504 136.440 47.799 7.426 A 316 ALA A 155 ALA^? A 317 GLY A 156 GLY^? A 318 ASP A 143 ASP^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 23 3 RMSD = 1.34 A TRANSFORM 0.3560 -0.4139 0.8378 -0.9344 -0.1475 0.3241 -0.0106 -0.8983 -0.4393 -17.923 13.799 45.410 141 ASP B 143 ASP^? 166 GLY B 117 GLY.? 169 GLU A 189 GLU^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 6 3 RMSD = 1.34 A TRANSFORM -0.8147 -0.5514 -0.1797 0.5639 -0.6808 -0.4674 0.1354 -0.4821 0.8656 25.579 19.758 -15.054 141 ASP A 143 ASP^? 166 GLY B 196 GLY.? 169 GLU B 179 GLU^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 15 3 RMSD = 1.35 A TRANSFORM -0.9960 0.0730 0.0516 0.0684 0.9939 -0.0861 -0.0575 -0.0823 -0.9949 10.329 -16.110 34.006 141 ASP A 172 ASP^? 166 GLY B 123 GLY~? 169 GLU B 179 GLU^? ULMNm 3 1eag_c04 PEPTIDE INHIBITOR user 6 3 RMSD = 1.35 A TRANSFORM -0.8497 0.5242 0.0571 0.4824 0.8164 -0.3174 -0.2130 -0.2422 -0.9466 44.804 -9.341 45.478 A 32 ASP B 122 ASP.? A 35 SER B 125 SER~? A 218 ASP A 197 ASP.? ULMNm 3 1eag_c04 PEPTIDE INHIBITOR user 3 3 RMSD = 1.35 A TRANSFORM -0.3476 -0.6628 0.6632 0.6344 -0.6871 -0.3541 0.6904 0.2976 0.6593 41.983 19.527 -26.630 A 32 ASP A 122 ASP.? A 35 SER A 125 SER~? A 218 ASP B 197 ASP.? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 2 3 RMSD = 1.35 A TRANSFORM -0.8398 0.5046 0.2004 -0.3685 -0.2586 -0.8929 -0.3988 -0.8237 0.4031 13.756 9.568 -42.815 B 250 ALA A 155 ALA^? B 251 GLY A 156 GLY^? B 252 ASP A 143 ASP^? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 5 3 RMSD = 1.36 A TRANSFORM -0.4288 -0.6130 -0.6636 0.4178 0.5167 -0.7473 0.8010 -0.5977 0.0346 72.019 -9.944 -2.203 A 250 ALA B 155 ALA^? A 251 GLY B 156 GLY^? A 252 ASP B 143 ASP^? ULMNm 3 1sme_c04 PLASMEPSIN II user 7 3 RMSD = 1.36 A TRANSFORM 0.7030 0.5318 -0.4723 0.6247 -0.1443 0.7674 0.3400 -0.8345 -0.4336 29.491 33.068 52.978 A 34 ASP B 122 ASP.? A 37 SER B 125 SER~? A 214 ASP A 197 ASP.? ULMNm 3 1sme_c04 PLASMEPSIN II user 3 3 RMSD = 1.37 A TRANSFORM 0.8222 -0.3536 -0.4461 -0.4134 0.1678 -0.8950 0.3913 0.9202 -0.0082 44.975 92.411 5.243 A 34 ASP A 122 ASP.? A 37 SER A 125 SER~? A 214 ASP B 197 ASP.? ULMNm 3 1rne_c04 RENIN (ACTIVATED, GLYCOSYLATED, INHIuser 6 3 RMSD = 1.37 A TRANSFORM 0.4541 0.8698 0.1928 -0.8351 0.4910 -0.2481 -0.3104 -0.0483 0.9494 -33.801 23.327 57.475 32 ASP B 122 ASP.? 35 SER B 125 SER~? 215 ASP A 197 ASP.? ULMNm 3 1thg_c00 LIPASE (E.C.3.1.1.3) TRIACYLGLYCEROLuser 3 3 RMSD = 1.37 A TRANSFORM -0.5321 0.8401 -0.1051 -0.4065 -0.1446 0.9021 0.7427 0.5227 0.4185 53.082 -19.939 -32.995 217 SER B 205 SER.? 354 GLU B 187 GLU.? 463 HIS B 186 HIS^? ULMNm 3 1rne_c04 RENIN (ACTIVATED, GLYCOSYLATED, INHIuser 3 3 RMSD = 1.37 A TRANSFORM 0.1861 -0.7950 -0.5773 -0.0785 -0.5977 0.7978 -0.9794 -0.1032 -0.1737 26.316 1.665 101.695 32 ASP A 122 ASP.? 35 SER A 125 SER~? 215 ASP B 197 ASP.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 29 3 RMSD = 1.38 A TRANSFORM -0.5006 -0.2071 0.8406 0.2196 -0.9696 -0.1081 0.8374 0.1305 0.5308 -15.268 21.333 -29.507 141 ASP B 172 ASP^? 166 GLY A 123 GLY~? 169 GLU A 179 GLU^? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 2 3 RMSD = 1.38 A TRANSFORM 0.2876 0.6244 0.7263 0.9141 -0.4052 -0.0137 0.2858 0.6678 -0.6873 -5.103 -21.023 1.772 A 250 ALA A 155 ALA^? A 251 GLY A 156 GLY^? A 252 ASP A 143 ASP^? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 42 3 RMSD = 1.38 A TRANSFORM 0.3128 -0.8750 0.3696 0.8910 0.4051 0.2050 -0.3290 0.2652 0.9063 43.468 -1.299 -30.824 A 229 ALA B 224 ALA.? A 257 ALA B 221 ALA^? A 328 ASP B 143 ASP^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 2 3 RMSD = 1.39 A TRANSFORM -0.3246 0.2122 -0.9218 0.8967 -0.2412 -0.3712 -0.3011 -0.9470 -0.1120 31.799 9.384 16.286 141 ASP A 143 ASP^? 166 GLY A 114 GLY.? 169 GLU B 187 GLU.? ULMNm 3 2odj_o00 PORIN D user 3 3 RMSD = 1.39 A TRANSFORM -0.4568 0.3066 0.8351 -0.0736 -0.9485 0.3080 0.8865 0.0792 0.4559 -12.820 42.688 9.706 A 156 HIS A 186 HIS^? A 208 ASP A 172 ASP^? A 296 SER B 124 SER~? ULMNm 3 1w1o_c00 CYTOKININ DEHYDROGENASE 1 user 1 3 RMSD = 1.39 A TRANSFORM 0.6131 0.0413 -0.7889 -0.6496 0.5946 -0.4738 0.4495 0.8030 0.3913 67.623 34.222 -4.254 A 105 HIS A 183 HIS^? A 169 ASP A 161 ASP^? A 288 GLU A 101 GLU.? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 8 3 RMSD = 1.39 A TRANSFORM -0.9670 -0.1987 -0.1596 -0.0332 0.7192 -0.6940 0.2527 -0.6658 -0.7021 57.990 33.270 35.273 A 229 ALA A 155 ALA^? A 257 ALA A 221 ALA^? A 328 ASP A 175 ASP^? ULMNm 3 1cjy_c00 CYTOSOLIC PHOSPHOLIPASE A2 user 4 3 RMSD = 1.40 A TRANSFORM -0.0598 0.8864 0.4590 -0.0304 -0.4612 0.8868 0.9978 0.0391 0.0545 15.269 -26.777 20.497 A 198 GLY B 180 GLY^? A 228 SER B 214 SER^? A 549 ASP B 161 ASP^? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 29 3 RMSD = 1.40 A TRANSFORM -0.3230 0.0916 0.9420 0.6858 -0.6632 0.2997 0.6522 0.7428 0.1514 9.354 20.252 -24.314 A 229 ALA B 155 ALA^? A 257 ALA B 221 ALA^? A 328 ASP B 175 ASP^? ULMNm 3 1sme_c05 PLASMEPSIN II user 3 3 RMSD = 1.40 A TRANSFORM -0.0255 -0.3202 -0.9470 -0.9610 0.2688 -0.0650 0.2754 0.9084 -0.3146 43.778 121.225 49.667 B 34 ASP A 122 ASP.? B 37 SER A 125 SER~? B 214 ASP B 197 ASP.? ULMNm 3 1cjy_c00 CYTOSOLIC PHOSPHOLIPASE A2 user 5 3 RMSD = 1.40 A TRANSFORM -0.2512 -0.8300 0.4980 -0.5976 -0.2717 -0.7543 0.7614 -0.4871 -0.4278 49.716 28.879 52.904 A 198 GLY B 196 GLY.? A 228 SER A 124 SER~? A 549 ASP A 122 ASP.? ULMNm 3 1mpp_c04 PEPSIN (RENIN) (E.C.3.4.23.23) user 3 3 RMSD = 1.40 A TRANSFORM 0.1397 -0.4009 0.9054 0.2562 0.8979 0.3580 -0.9565 0.1820 0.2281 -3.589 -5.300 48.733 32 ASP A 122 ASP.? 35 SER A 125 SER~? 215 ASP B 197 ASP.? ULMNm 3 1eed_c04 ENDOTHIAPEPSIN (E.C.3.4.23.22) COMPLuser 3 3 RMSD = 1.40 A TRANSFORM -0.3500 -0.9090 0.2265 -0.3017 -0.1196 -0.9459 0.8869 -0.3994 -0.2324 17.280 65.549 -1.684 P 32 ASP A 122 ASP.? P 35 SER A 125 SER~? P 215 ASP B 197 ASP.? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 21 3 RMSD = 1.41 A TRANSFORM -0.3386 0.8565 -0.3896 0.2382 -0.3226 -0.9161 -0.9103 -0.4030 -0.0948 41.074 56.168 21.524 A 229 ALA A 224 ALA.? A 257 ALA A 221 ALA^? A 328 ASP A 143 ASP^? ULMNm 3 1eed_c04 ENDOTHIAPEPSIN (E.C.3.4.23.22) COMPLuser 7 3 RMSD = 1.41 A TRANSFORM -0.5106 0.8091 0.2910 0.6699 0.1622 0.7246 0.5391 0.5649 -0.6248 -15.701 -4.778 -4.267 P 32 ASP B 122 ASP.? P 35 SER B 125 SER~? P 215 ASP A 197 ASP.? ULMNm 3 1sme_c05 PLASMEPSIN II user 7 3 RMSD = 1.41 A TRANSFORM 0.7638 0.4061 0.5017 -0.3304 -0.4218 0.8444 0.5545 -0.8107 -0.1880 -26.097 98.641 75.132 B 34 ASP B 122 ASP.? B 37 SER B 125 SER~? B 214 ASP A 197 ASP.? ULMNm 3 1mpp_c04 PEPSIN (RENIN) (E.C.3.4.23.23) user 7 3 RMSD = 1.41 A TRANSFORM -0.7966 0.3246 -0.5100 -0.0447 -0.8729 -0.4858 -0.6029 -0.3642 0.7099 38.872 59.252 40.391 32 ASP B 122 ASP.? 35 SER B 125 SER~? 215 ASP A 197 ASP.? ULMNm 3 1apt_c04 ISOVALERYL (IVA)-VAL-VAL-LYSTA-O-ET user 3 3 RMSD = 1.41 A TRANSFORM -0.4248 -0.6288 -0.6512 -0.8954 0.3979 0.1999 0.1334 0.6680 -0.7321 56.543 27.727 29.058 E 33 ASP A 122 ASP.? E 36 SER A 125 SER~? E 213 ASP B 197 ASP.? ULMNm 3 1apt_c04 ISOVALERYL (IVA)-VAL-VAL-LYSTA-O-ET user 6 3 RMSD = 1.42 A TRANSFORM 0.2702 0.6109 0.7442 -0.5143 -0.5618 0.6480 0.8139 -0.5578 0.1624 -20.035 28.049 15.774 E 33 ASP B 122 ASP.? E 36 SER B 125 SER~? E 213 ASP A 197 ASP.? ULMNm 3 2odj_o00 PORIN D user 6 3 RMSD = 1.42 A TRANSFORM -0.9016 -0.4321 -0.0191 -0.4321 0.9018 -0.0052 0.0194 0.0036 -0.9998 34.026 20.591 68.008 A 156 HIS B 186 HIS^? A 208 ASP B 172 ASP^? A 296 SER A 124 SER~? ULMNm 3 1qe3_c00 PARA-NITROBENZYL ESTERASE user 1 3 RMSD = 1.42 A TRANSFORM 0.1241 0.8128 0.5691 0.9806 -0.0126 -0.1958 -0.1519 0.5824 -0.7986 -33.803 42.738 57.762 A 189 SER A 205 SER.? A 310 GLU A 187 GLU.? A 399 HIS A 186 HIS^? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 39 3 RMSD = 1.42 A TRANSFORM 0.3012 -0.9114 -0.2805 0.9531 0.2785 0.1184 -0.0298 -0.3030 0.9525 71.288 4.332 -21.450 A 229 ALA B 224 ALA.? A 257 ALA B 154 ALA^? A 328 ASP B 143 ASP^? ULMNm 3 1cms_c04 CHYMOSIN B (FORMERLY KNOWN AS RENNINuser 3 3 RMSD = 1.42 A TRANSFORM 0.6745 -0.6022 0.4271 -0.6913 -0.3121 0.6517 -0.2592 -0.7349 -0.6267 -7.436 27.870 55.188 34 ASP A 122 ASP.? 37 SER A 125 SER~? 216 ASP B 197 ASP.? ULMNm 3 1cjy_c00 CYTOSOLIC PHOSPHOLIPASE A2 user 2 3 RMSD = 1.42 A TRANSFORM -0.6731 0.7373 0.0574 0.3511 0.2503 0.9023 0.6509 0.6274 -0.4274 38.375 -45.359 32.258 A 198 GLY A 196 GLY.? A 228 SER B 124 SER~? A 549 ASP B 122 ASP.? ULMNm 3 1cjy_c01 CYTOSOLIC PHOSPHOLIPASE A2 user 3 3 RMSD = 1.43 A TRANSFORM 0.0380 0.2259 0.9734 0.1807 -0.9596 0.2156 0.9828 0.1677 -0.0772 91.413 78.296 94.133 B1198 GLY B 180 GLY^? B1228 SER B 214 SER^? B1549 ASP B 161 ASP^? ULMNm 3 2apr_c04 ACID PROTEINASE (RHIZOPUSPEPSIN) (E.user 3 3 RMSD = 1.43 A TRANSFORM -0.1314 0.3713 -0.9192 0.9796 0.1906 -0.0631 0.1517 -0.9088 -0.3887 66.053 35.572 115.822 35 ASP A 122 ASP.? 38 SER A 125 SER~? 218 ASP B 197 ASP.? ULMNm 3 1bbs_c07 RENIN user 7 3 RMSD = 1.44 A TRANSFORM 0.6971 -0.6039 0.3866 0.6730 0.7371 -0.0621 -0.2474 0.3034 0.9202 58.551 6.550 49.777 32 ASP B 122 ASP.? 35 SER B 125 SER~? 215 ASP A 197 ASP.? ULMNm 3 1bbs_c06 RENIN user 7 3 RMSD = 1.44 A TRANSFORM 0.6971 -0.6039 0.3866 0.6730 0.7371 -0.0621 -0.2474 0.3034 0.9202 58.551 6.550 49.777 32 ASP B 122 ASP.? 35 SER B 125 SER~? 215 ASP A 197 ASP.? ULMNm 3 1bbs_c07 RENIN user 3 3 RMSD = 1.44 A TRANSFORM -0.1356 0.6712 -0.7288 0.4860 -0.5959 -0.6392 -0.8634 -0.4409 -0.2454 79.747 53.399 108.043 32 ASP A 122 ASP.? 35 SER A 125 SER~? 215 ASP B 197 ASP.? ULMNm 3 1bbs_c06 RENIN user 3 3 RMSD = 1.44 A TRANSFORM -0.1356 0.6712 -0.7288 0.4860 -0.5959 -0.6392 -0.8634 -0.4409 -0.2454 79.747 53.399 108.043 32 ASP A 122 ASP.? 35 SER A 125 SER~? 215 ASP B 197 ASP.? ULMNm 3 2apr_c04 ACID PROTEINASE (RHIZOPUSPEPSIN) (E.user 7 3 RMSD = 1.44 A TRANSFORM 0.8067 -0.2926 0.5134 0.5330 -0.0150 -0.8460 0.2552 0.9561 0.1438 21.833 69.158 61.442 35 ASP B 122 ASP.? 38 SER B 125 SER~? 218 ASP A 197 ASP.? ULMNm 3 1am5_c04 PEPSIN user 3 3 RMSD = 1.44 A TRANSFORM 0.1199 -0.4679 0.8756 -0.8339 0.4311 0.3445 -0.5387 -0.7715 -0.3385 -30.291 18.297 170.485 32 ASP A 122 ASP.? 35 SER A 125 SER~? 215 ASP B 197 ASP.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 21 3 RMSD = 1.44 A TRANSFORM 0.6825 -0.1887 0.7061 0.7189 0.3479 -0.6018 -0.1320 0.9183 0.3731 -24.187 7.749 -38.001 141 ASP B 143 ASP^? 166 GLY B 114 GLY.? 169 GLU A 187 GLU.? ULMNm 3 1cjy_c00 CYTOSOLIC PHOSPHOLIPASE A2 user 1 3 RMSD = 1.44 A TRANSFORM -0.3519 -0.9124 -0.2091 -0.8325 0.4072 -0.3758 0.4280 0.0418 -0.9028 75.892 5.232 57.552 A 198 GLY A 180 GLY^? A 228 SER A 214 SER^? A 549 ASP A 161 ASP^? ULMNm 3 1am5_c04 PEPSIN user 7 3 RMSD = 1.45 A TRANSFORM -0.7916 0.3901 -0.4703 -0.6060 -0.5998 0.5225 -0.0783 0.6986 0.7112 7.126 30.432 103.456 32 ASP B 122 ASP.? 35 SER B 125 SER~? 215 ASP A 197 ASP.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 10 3 RMSD = 1.45 A TRANSFORM -0.7142 -0.6865 0.1370 0.1013 -0.2950 -0.9501 0.6926 -0.6646 0.2803 16.764 38.382 -11.324 141 ASP A 149 ASP~? 166 GLY B 196 GLY.? 169 GLU B 179 GLU^? ULMNm 3 1qe3_c00 PARA-NITROBENZYL ESTERASE user 3 3 RMSD = 1.45 A TRANSFORM -0.3985 -0.8339 -0.3818 0.5671 0.1031 -0.8172 0.7208 -0.5422 0.4318 34.710 65.687 30.412 A 189 SER B 205 SER.? A 310 GLU B 187 GLU.? A 399 HIS B 186 HIS^? ULMNm 3 2ace_c00 ACETYLCHOLINESTERASE user 1 3 RMSD = 1.46 A TRANSFORM -0.4849 0.8512 -0.2008 0.6022 0.4915 0.6292 0.6342 0.1842 -0.7509 -12.090 34.983 70.371 200 SER A 205 SER.? 327 GLU A 187 GLU.? 440 HIS A 186 HIS^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 25 3 RMSD = 1.46 A TRANSFORM -0.5362 0.5803 0.6130 0.8427 0.4095 0.3494 -0.0483 0.7040 -0.7086 -25.378 -26.225 2.367 141 ASP B 149 ASP~? 166 GLY A 196 GLY.? 169 GLU A 179 GLU^? ULMNm 3 1cjy_c01 CYTOSOLIC PHOSPHOLIPASE A2 user 1 3 RMSD = 1.46 A TRANSFORM -0.8150 -0.2772 -0.5088 -0.1906 0.9575 -0.2164 0.5472 -0.0794 -0.8332 158.480 57.965 128.237 B1198 GLY A 180 GLY^? B1228 SER A 214 SER^? B1549 ASP A 161 ASP^? ULMNm 3 1dub_c15 2-ENOYL-COA HYDRATASE user 3 3 RMSD = 1.48 A TRANSFORM -0.7849 -0.4604 0.4147 0.6131 -0.4800 0.6275 -0.0898 0.7468 0.6590 99.773 86.120 96.579 D 141 GLY A 188 GLY.? D 144 GLU A 189 GLU^? D 164 GLU A 187 GLU.? ULMNm 3 1dub_c14 2-ENOYL-COA HYDRATASE user 3 3 RMSD = 1.48 A TRANSFORM 0.7587 0.5916 -0.2729 -0.5965 0.4624 -0.6561 -0.2619 0.6605 0.7036 35.976 100.099 102.730 C 141 GLY A 188 GLY.? C 144 GLU A 189 GLU^? C 164 GLU A 187 GLU.? ULMNm 3 1dub_c17 2-ENOYL-COA HYDRATASE user 4 3 RMSD = 1.48 A TRANSFORM -0.0804 0.9942 0.0708 0.8046 0.0228 0.5933 0.5883 0.1046 -0.8018 20.676 57.803 160.865 F 141 GLY A 188 GLY.? F 144 GLU A 189 GLU^? F 164 GLU A 187 GLU.? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 11 3 RMSD = 1.48 A TRANSFORM -0.7072 0.1973 -0.6789 0.0016 0.9607 0.2775 0.7070 0.1952 -0.6797 63.356 -6.518 0.869 A 229 ALA A 195 ALA.? A 257 ALA A 193 ALA^? A 328 ASP B 122 ASP.? ULMNm 3 1j53_c00 DNA POLYMERASE III, EPSILON CHAIN user 1 3 RMSD = 1.48 A TRANSFORM -0.1804 -0.9365 -0.3007 -0.5630 0.3490 -0.7492 0.8065 0.0342 -0.5902 13.032 29.853 -4.805 A 14 GLU A 135 GLU~? A 61 GLU A 101 GLU.? A 162 HIS A 137 HIS.? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 2 3 RMSD = 1.49 A TRANSFORM -0.3631 0.2555 0.8960 -0.3420 0.8580 -0.3833 -0.8667 -0.4456 -0.2242 26.545 16.189 51.417 A 67 ASP B 197 ASP.? A 68 ALA B 193 ALA^? A 72 LEU B 182 LEU^? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 31 3 RMSD = 1.49 A TRANSFORM 0.2767 -0.2230 0.9347 -0.1152 -0.9734 -0.1982 0.9540 -0.0529 -0.2950 8.964 47.891 -9.422 A 229 ALA B 195 ALA.? A 257 ALA B 193 ALA^? A 328 ASP A 122 ASP.? ULMNm 3 2ace_c00 ACETYLCHOLINESTERASE user 3 3 RMSD = 1.50 A TRANSFORM 0.0670 -0.8730 0.4832 -0.2953 -0.4799 -0.8261 0.9530 -0.0873 -0.2900 -6.887 111.004 57.805 200 SER B 205 SER.? 327 GLU B 187 GLU.? 440 HIS B 186 HIS^?