*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 4 1eix_c06 OROTIDINE 5'-MONOPHOSPHATE DECARBOXYuser 1 4 RMSD = 1.43 A TRANSFORM -0.2048 0.6869 0.6973 -0.9616 -0.2741 -0.0124 -0.1826 0.6731 -0.7167 13.652 94.705 66.110 C 44 LYS A 116 LYS~? C 71 ASP A 76 ASP~? C 73 LYS A 79 LYS~? C 76 ASP A 85 ASP~? ULMNm 4 1eix_c04 OROTIDINE 5'-MONOPHOSPHATE DECARBOXYuser 1 4 RMSD = 1.46 A TRANSFORM -0.0154 0.6392 0.7689 -0.3632 -0.7200 0.5913 -0.9316 0.2702 -0.2432 -12.006 52.363 140.389 A 44 LYS A 116 LYS~? A 71 ASP A 76 ASP~? A 73 LYS A 79 LYS~? A 76 ASP A 85 ASP~? ULMNm 4 1eix_c07 OROTIDINE 5'-MONOPHOSPHATE DECARBOXYuser 1 4 RMSD = 1.48 A TRANSFORM 0.0045 -0.6549 -0.7557 -0.6750 0.5556 -0.4854 -0.7378 -0.5123 0.4396 92.115 60.452 109.834 D 44 LYS A 116 LYS~? D 71 ASP A 76 ASP~? D 73 LYS A 79 LYS~? D 76 ASP A 85 ASP~? ULMNm 3 2jxr_c04 LIGAND CP-081282 user 2 3 RMSD = 1.04 A TRANSFORM 0.5453 -0.6340 0.5483 -0.0253 0.6414 0.7668 0.8379 0.4320 -0.3337 -20.688 26.397 2.740 A 32 ASP A 75 ASP~? A 35 SER A 78 SER~? A 215 ASP A 109 ASP~? ULMNm 3 2apr_c04 ACID PROTEINASE (RHIZOPUSPEPSIN) (E.user 2 3 RMSD = 1.06 A TRANSFORM 0.0728 0.8465 0.5274 -0.9655 0.1924 -0.1754 0.2499 0.4964 -0.8313 -1.234 90.846 91.723 35 ASP A 75 ASP~? 38 SER A 78 SER~? 218 ASP A 109 ASP~? ULMNm 3 1cms_c04 CHYMOSIN B (FORMERLY KNOWN AS RENNINuser 2 3 RMSD = 1.07 A TRANSFORM -0.4290 -0.2687 -0.8624 0.6850 -0.7191 -0.1167 0.5888 0.6408 -0.4926 57.324 28.614 -7.767 34 ASP A 75 ASP~? 37 SER A 78 SER~? 216 ASP A 109 ASP~? ULMNm 3 1avf_c04 GASTRICSIN user 2 3 RMSD = 1.07 A TRANSFORM -0.9702 -0.2187 0.1045 -0.1948 0.9600 0.2012 0.1443 -0.1748 0.9740 32.676 -28.350 34.480 A 32 ASP A 75 ASP~? A 35 SER A 78 SER~? A 217 ASP A 109 ASP~? ULMNm 3 1eed_c04 ENDOTHIAPEPSIN (E.C.3.4.23.22) COMPLuser 2 3 RMSD = 1.11 A TRANSFORM 0.6363 -0.1768 -0.7509 0.4272 0.8913 0.1522 -0.6423 0.4176 -0.6426 5.381 -17.557 31.642 P 32 ASP A 75 ASP~? P 35 SER A 78 SER~? P 215 ASP A 109 ASP~? ULMNm 3 1mpp_c04 PEPSIN (RENIN) (E.C.3.4.23.23) user 2 3 RMSD = 1.11 A TRANSFORM -0.0859 -0.8230 -0.5615 -0.6134 -0.4004 0.6807 0.7851 -0.4028 0.4705 63.605 40.534 9.551 32 ASP A 75 ASP~? 35 SER A 78 SER~? 215 ASP A 109 ASP~? ULMNm 3 1apt_c04 ISOVALERYL (IVA)-VAL-VAL-LYSTA-O-ET user 2 3 RMSD = 1.13 A TRANSFORM 0.6975 0.6431 -0.3163 0.6510 -0.3841 0.6547 -0.2995 0.6625 0.6866 -17.724 -8.410 -7.622 E 33 ASP A 75 ASP~? E 36 SER A 78 SER~? E 213 ASP A 109 ASP~? ULMNm 3 1avf_c05 GASTRICSIN user 2 3 RMSD = 1.14 A TRANSFORM -0.2985 0.1717 -0.9388 0.1652 -0.9595 -0.2280 0.9400 0.2232 -0.2580 -16.929 15.004 -18.670 J 32 ASP A 75 ASP~? J 35 SER A 78 SER~? J 217 ASP A 109 ASP~? ULMNm 3 1vzx_c03 2.04.01.0087 user 3 3 RMSD = 1.15 A TRANSFORM -0.7003 0.7088 0.0849 -0.4711 -0.5482 0.6911 -0.5364 -0.4440 -0.7178 3.161 23.654 58.464 B1314 TYR A 92 TYR~? B1317 GLU A 88 GLU~? B1365 ARG A 29 ARG~? ULMNm 3 1am5_c04 PEPSIN user 2 3 RMSD = 1.15 A TRANSFORM -0.0486 -0.7848 -0.6179 0.5731 -0.5285 0.6262 0.8180 0.3237 -0.4754 33.502 -3.782 110.590 32 ASP A 75 ASP~? 35 SER A 78 SER~? 215 ASP A 109 ASP~? ULMNm 3 1stc_c02 CAMP-DEPENDENT PROTEIN KINASE user 3 3 RMSD = 1.16 A TRANSFORM 0.6088 -0.7933 -0.0072 -0.7219 -0.5578 0.4096 0.3290 0.2442 0.9122 -0.098 63.423 -34.135 E 166 ASP A 52 ASP~? E 168 LYS A 43 LYS~? E 201 THR A 59 THR~? ULMNm 3 1vzx_c02 2.04.01.0087 user 3 3 RMSD = 1.17 A TRANSFORM 0.7048 -0.7032 -0.0940 -0.5215 -0.6034 0.6033 0.4809 0.3762 0.7920 11.909 27.895 -8.638 A 314 TYR A 92 TYR~? A 317 GLU A 88 GLU~? A 365 ARG A 29 ARG~? ULMNm 3 1eag_c04 PEPTIDE INHIBITOR user 4 3 RMSD = 1.17 A TRANSFORM 0.4990 -0.6269 -0.5983 -0.2920 0.5285 -0.7972 -0.8159 -0.5725 -0.0807 61.476 27.640 61.225 A 32 ASP A 75 ASP~? A 35 SER A 78 SER~? A 218 ASP A 109 ASP~? ULMNm 3 1bbs_c07 RENIN user 1 3 RMSD = 1.17 A TRANSFORM -0.0006 0.5966 0.8026 -0.1645 0.7916 -0.5885 0.9864 0.1324 -0.0977 25.890 33.110 38.640 32 ASP A 75 ASP~? 35 SER A 78 SER~? 215 ASP A 109 ASP~? ULMNm 3 1bbs_c06 RENIN user 1 3 RMSD = 1.17 A TRANSFORM -0.0006 0.5966 0.8026 -0.1645 0.7916 -0.5885 0.9864 0.1324 -0.0977 25.890 33.110 38.640 32 ASP A 75 ASP~? 35 SER A 78 SER~? 215 ASP A 109 ASP~? ULMNm 3 1sme_c05 PLASMEPSIN II user 1 3 RMSD = 1.20 A TRANSFORM 0.2569 0.9563 -0.1396 0.7892 -0.1242 0.6014 -0.5578 0.2646 0.7866 -24.664 62.353 50.768 B 34 ASP A 75 ASP~? B 37 SER A 78 SER~? B 214 ASP A 109 ASP~? ULMNm 3 1rne_c04 RENIN (ACTIVATED, GLYCOSYLATED, INHIuser 4 3 RMSD = 1.23 A TRANSFORM 0.1877 0.6979 -0.6911 0.1892 -0.7161 -0.6718 0.9638 0.0047 0.2665 -8.646 47.565 32.252 32 ASP A 75 ASP~? 35 SER A 78 SER~? 215 ASP A 109 ASP~? ULMNm 3 1sme_c04 PLASMEPSIN II user 2 3 RMSD = 1.25 A TRANSFORM -0.5827 0.6200 -0.5254 0.4311 0.7838 0.4470 -0.6889 -0.0340 0.7240 59.852 8.118 33.856 A 34 ASP A 75 ASP~? A 37 SER A 78 SER~? A 214 ASP A 109 ASP~? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 1 3 RMSD = 1.30 A TRANSFORM 0.0661 0.9162 0.3952 -0.4882 0.3751 -0.7880 0.8702 0.1408 -0.4721 -2.096 -64.581 -168.405 A 420 ALA A 44 ALA~? B 182 GLY A 50 GLY~? B 183 GLY A 48 GLY~? ULMNm 3 1cns_c01 CHITINASE user 1 3 RMSD = 1.35 A TRANSFORM -0.7248 -0.6098 -0.3205 0.5811 -0.7911 0.1910 0.3700 0.0478 -0.9278 74.557 -10.489 61.686 B 67 GLU A 88 GLU~? B 89 GLU A 28 GLU~? B 120 SER A 32 SER~? ULMNm 3 2dbt_c02 CHITINASE C user 4 3 RMSD = 1.38 A TRANSFORM -0.1407 -0.5094 -0.8490 0.0857 -0.8605 0.5021 0.9863 0.0021 -0.1647 84.299 28.744 -22.953 C 147 GLU A 12 GLU~? C 156 GLU A 111 GLU~? C 194 ASN A 119 ASN~? ULMNm 3 2dbt_c01 CHITINASE C user 4 3 RMSD = 1.40 A TRANSFORM -0.7947 -0.1990 -0.5734 0.0575 0.9158 -0.3975 -0.6043 0.3488 0.7164 100.898 53.395 12.668 B 147 GLU A 12 GLU~? B 156 GLU A 111 GLU~? B 194 ASN A 119 ASN~? ULMNm 3 1ec9_c06 GLUCARATE DEHYDRATASE user 1 3 RMSD = 1.41 A TRANSFORM 0.7129 0.6982 -0.0654 0.5122 -0.5822 -0.6314 0.4790 -0.4167 0.7727 -24.493 25.889 -59.004 C 205 LYS A 13 LYS~? C 207 LYS A 10 LYS~? C 366 ASP A 17 ASP~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 1 3 RMSD = 1.43 A TRANSFORM -0.4049 0.5176 -0.7537 -0.9137 -0.1978 0.3550 -0.0346 -0.8324 -0.5531 66.979 56.231 49.460 A 229 ALA A 11 ALA~? A 257 ALA A 37 ALA~? A 328 ASP A 17 ASP~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 13 3 RMSD = 1.45 A TRANSFORM 0.0663 0.1922 0.9791 -0.6266 0.7716 -0.1091 0.7765 0.6063 -0.1716 10.417 36.273 -42.000 A 229 ALA A 120 ALA~? A 257 ALA A 117 ALA~? A 328 ASP A 76 ASP~? ULMNm 3 2dbt_c00 CHITINASE C user 4 3 RMSD = 1.47 A TRANSFORM 0.5186 0.4008 0.7553 0.1783 0.8133 -0.5539 0.8362 -0.4219 -0.3503 20.580 8.036 -6.495 A 147 GLU A 12 GLU~? A 156 GLU A 111 GLU~? A 194 ASN A 119 ASN~? ULMNm 3 1m53_c06 ISOMALTULOSE SYNTHASE user 2 3 RMSD = 1.49 A TRANSFORM 0.2455 0.9667 0.0729 -0.9126 0.2558 -0.3190 0.3270 -0.0117 -0.9449 -31.556 66.499 91.683 A 241 ASP A 109 ASP~? A 279 GLU A 97 GLU~? A 369 ASP A 76 ASP~? ULMNm 3 2tmd_c03 TRIMETHYLAMINE DEHYDROGENASE user 1 3 RMSD = 1.50 A TRANSFORM -0.1291 -0.8360 -0.5333 -0.9575 -0.0347 0.2862 0.2578 -0.5476 0.7961 98.036 29.789 12.304 B 169 TYR A 36 TYR~? B 172 HIS A 56 HIS~? B 174 TYR A 35 TYR~?