*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 2z3x_d00 DNA BINDING PROTEIN/DNA user 3 3 RMSD = 1.12 A TRANSFORM 0.6244 -0.4120 -0.6636 -0.6939 -0.6827 -0.2291 0.3587 -0.6035 0.7121 30.722 42.835 102.972 B 34 SER B 20 SER^? B 37 ASN B 3 ASN^? B 45 THR B 86 THR^? ULMNm 3 1qho_c07 ALPHA-AMYLASE user 4 3 RMSD = 1.24 A TRANSFORM -0.7148 0.2921 -0.6354 -0.5262 -0.8231 0.2137 0.4606 -0.4871 -0.7421 -7.337 79.568 96.811 A 228 ASP B 77 ASP^? A 260 ASP B 14 ASP^? A 329 ASP A 57 ASP^? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 4 3 RMSD = 1.25 A TRANSFORM -0.0830 0.9706 -0.2260 0.9961 0.0875 0.0103 -0.0298 0.2242 0.9741 4.775 118.813 -65.957 D 465 GLY E 12 GLY^? D 501 ASP B 14 ASP^? E 367 TYR C 82 TYR^? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 6 3 RMSD = 1.25 A TRANSFORM -0.8286 0.5503 -0.1030 -0.5599 -0.8146 0.1516 0.0005 -0.1833 -0.9831 -52.686 2.361 -2.416 A 465 GLY E 12 GLY^? A 501 ASP B 14 ASP^? B 367 TYR C 82 TYR^? ULMNm 3 1qho_c07 ALPHA-AMYLASE user 2 3 RMSD = 1.25 A TRANSFORM -0.3485 -0.7629 -0.5445 0.4428 -0.6460 0.6218 0.8261 0.0244 -0.5630 39.738 127.874 103.731 A 228 ASP A 77 ASP^? A 260 ASP A 14 ASP^? A 329 ASP C 57 ASP^? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 1 3 RMSD = 1.25 A TRANSFORM 0.7134 -0.6880 0.1333 -0.4768 -0.6159 -0.6272 -0.5136 -0.3839 0.7674 88.214 56.334 -77.334 D 465 GLY A 12 GLY.? D 501 ASP E 14 ASP^? E 367 TYR B 82 TYR^? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 1 3 RMSD = 1.26 A TRANSFORM 0.7932 0.0302 0.6082 -0.2468 0.9290 0.2757 0.5567 0.3688 -0.7444 47.639 -23.183 14.239 A 465 GLY A 12 GLY.? A 501 ASP E 14 ASP^? B 367 TYR B 82 TYR^? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 4 3 RMSD = 1.28 A TRANSFORM -0.7980 -0.5978 -0.0766 0.4563 -0.6824 0.5711 0.3936 -0.4208 -0.8173 -23.037 54.519 24.854 A 465 GLY D 12 GLY^? A 501 ASP A 14 ASP^? B 367 TYR E 82 TYR^? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 2 3 RMSD = 1.31 A TRANSFORM 0.1478 0.9298 0.3372 -0.9851 0.1685 -0.0330 0.0875 0.3273 -0.9409 -9.616 -44.687 -10.257 A 465 GLY C 12 GLY^? A 501 ASP D 14 ASP^? B 367 TYR A 82 TYR^? ULMNm 3 2z3x_d00 DNA BINDING PROTEIN/DNA user 5 3 RMSD = 1.32 A TRANSFORM 0.3092 0.5193 -0.7967 0.8918 0.1326 0.4325 -0.3302 0.8442 0.4221 -9.676 108.924 29.987 B 34 SER C 20 SER^? B 37 ASN C 3 ASN^? B 45 THR C 86 THR^? ULMNm 3 2odj_o01 PORIN D user 1 3 RMSD = 1.35 A TRANSFORM -0.9175 0.1347 0.3741 0.0760 0.9829 -0.1675 0.3903 0.1253 0.9121 -83.919 -46.839 82.427 B 156 HIS A 85 HIS^? B 208 ASP A 14 ASP^? B 296 SER B 73 SER^? ULMNm 3 2z3x_d00 DNA BINDING PROTEIN/DNA user 1 3 RMSD = 1.35 A TRANSFORM 0.7963 0.1805 -0.5774 0.3590 -0.9092 0.2109 0.4869 0.3752 0.7888 25.862 105.815 85.491 B 34 SER A 20 SER^? B 37 ASN A 3 ASN.? B 45 THR A 86 THR^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 2 3 RMSD = 1.35 A TRANSFORM 0.3336 0.5722 0.7492 -0.8685 -0.1227 0.4803 -0.3667 0.8109 -0.4560 -16.683 -45.674 -54.154 141 ASP A 57 ASP^? 166 GLY A 17 GLY^? 169 GLU A 21 GLU^? ULMNm 3 2odj_o01 PORIN D user 4 3 RMSD = 1.37 A TRANSFORM 0.3284 0.3035 0.8944 0.6115 -0.7901 0.0436 -0.7199 -0.5326 0.4451 -20.406 25.915 38.161 B 156 HIS D 85 HIS^? B 208 ASP D 14 ASP^? B 296 SER E 73 SER^? ULMNm 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 11 3 RMSD = 1.39 A TRANSFORM -0.4616 -0.3042 -0.8333 -0.8664 -0.0471 0.4971 0.1904 -0.9514 0.2418 7.727 49.954 40.276 193 ASP E 64 ASP^? 231 ASP B 65 ASP^? 294 ASP C 65 ASP^? ULMNm 3 2jxr_c04 LIGAND CP-081282 user 1 3 RMSD = 1.41 A TRANSFORM -0.3972 -0.4652 0.7911 0.8342 0.1763 0.5225 0.3825 -0.8675 -0.3181 -23.889 93.577 111.966 A 32 ASP A 58 ASP^? A 35 SER B 73 SER^? A 215 ASP A 57 ASP^? ULMNm 3 2z3x_d00 DNA BINDING PROTEIN/DNA user 7 3 RMSD = 1.41 A TRANSFORM 0.0541 -0.4518 -0.8905 -0.8269 0.4796 -0.2935 -0.5597 -0.7523 0.3476 0.673 7.127 56.835 B 34 SER D 20 SER^? B 37 ASN D 3 ASN^? B 45 THR D 86 THR^? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 7 3 RMSD = 1.42 A TRANSFORM -0.5612 0.7496 0.3509 -0.3738 -0.6078 0.7006 -0.7385 -0.2620 -0.6213 -69.564 -6.842 -47.918 141 ASP C 57 ASP^? 166 GLY C 17 GLY^? 169 GLU C 21 GLU^? ULMNm 3 1am5_c04 PEPSIN user 1 3 RMSD = 1.42 A TRANSFORM -0.9211 0.0000 -0.3894 -0.3396 -0.4892 0.8033 0.1905 -0.8722 -0.4506 -54.337 3.655 203.942 32 ASP A 58 ASP^? 35 SER B 73 SER^? 215 ASP A 57 ASP^? ULMNm 3 1mpp_c04 PEPSIN (RENIN) (E.C.3.4.23.23) user 1 3 RMSD = 1.42 A TRANSFORM -0.9467 0.0307 -0.3207 -0.2121 0.6899 0.6921 -0.2425 -0.7232 0.6466 -29.879 -39.833 45.710 32 ASP A 58 ASP^? 35 SER B 73 SER^? 215 ASP A 57 ASP^? ULMNm 3 2jxr_c04 LIGAND CP-081282 user 5 3 RMSD = 1.43 A TRANSFORM -0.0178 -0.2069 0.9782 0.0281 0.9779 0.2073 0.9994 -0.0312 0.0116 -10.865 29.381 124.351 A 32 ASP C 58 ASP^? A 35 SER A 73 SER^? A 215 ASP C 57 ASP^? ULMNm 3 1amy_c01 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 6 3 RMSD = 1.43 A TRANSFORM 0.1941 0.9807 -0.0220 0.8280 -0.1758 -0.5324 0.5260 -0.0851 0.8462 -13.673 125.383 65.616 179 ASP C 64 ASP^? 214 ASP A 57 ASP^? 289 ASP A 65 ASP^? ULMNm 3 1am5_c04 PEPSIN user 4 3 RMSD = 1.43 A TRANSFORM -0.2538 -0.9566 -0.1430 0.0234 -0.1538 0.9878 0.9670 -0.2474 -0.0615 6.239 13.800 230.382 32 ASP C 58 ASP^? 35 SER A 73 SER^? 215 ASP C 57 ASP^? ULMNm 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 7 3 RMSD = 1.43 A TRANSFORM -0.2512 0.6257 -0.7385 -0.5159 0.5590 0.6491 -0.8190 -0.5441 -0.1824 -3.922 53.929 -24.493 193 ASP C 64 ASP^? 231 ASP D 65 ASP^? 294 ASP A 65 ASP^? ULMNm 3 1mpp_c04 PEPSIN (RENIN) (E.C.3.4.23.23) user 5 3 RMSD = 1.44 A TRANSFORM -0.3113 -0.9462 -0.0879 -0.8972 0.2622 0.3552 0.3131 -0.1895 0.9306 29.451 -66.630 61.325 32 ASP C 58 ASP^? 35 SER A 73 SER^? 215 ASP C 57 ASP^? ULMNm 3 2apr_c04 ACID PROTEINASE (RHIZOPUSPEPSIN) (E.user 1 3 RMSD = 1.45 A TRANSFORM 0.9605 -0.0184 0.2775 0.1129 0.9377 -0.3285 0.2542 -0.3468 -0.9028 92.767 23.484 147.720 35 ASP A 58 ASP^? 38 SER B 73 SER^? 218 ASP A 57 ASP^? ULMNm 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 9 3 RMSD = 1.45 A TRANSFORM 0.2737 -0.8106 -0.5178 -0.4306 -0.5846 0.6876 0.8601 -0.0347 0.5090 60.180 86.914 53.965 193 ASP D 64 ASP^? 231 ASP A 65 ASP^? 294 ASP E 65 ASP^? ULMNm 3 2odj_o01 PORIN D user 5 3 RMSD = 1.45 A TRANSFORM 0.1782 -0.5556 0.8121 -0.4279 -0.7869 -0.4446 -0.8861 0.2683 0.3780 -7.678 -29.574 8.862 B 156 HIS E 85 HIS^? B 208 ASP E 14 ASP^? B 296 SER C 73 SER^? ULMNm 3 1mpp_c04 PEPSIN (RENIN) (E.C.3.4.23.23) user 3 3 RMSD = 1.45 A TRANSFORM -0.2883 0.9562 -0.0500 0.3968 0.1668 0.9026 -0.8715 -0.2404 0.4275 -16.696 5.770 -1.579 32 ASP B 58 ASP^? 35 SER D 73 SER^? 215 ASP B 57 ASP^? ULMNm 3 2apr_c04 ACID PROTEINASE (RHIZOPUSPEPSIN) (E.user 5 3 RMSD = 1.46 A TRANSFORM 0.3204 0.9464 0.0416 -0.6512 0.2520 -0.7159 0.6880 -0.2023 -0.6970 33.545 0.141 168.409 35 ASP C 58 ASP^? 38 SER A 73 SER^? 218 ASP C 57 ASP^? ULMNm 3 2jxr_c04 LIGAND CP-081282 user 3 3 RMSD = 1.46 A TRANSFORM -0.7330 -0.0680 0.6768 0.3859 -0.8609 0.3315 -0.5601 -0.5042 -0.6573 -53.090 94.412 51.654 A 32 ASP B 58 ASP^? A 35 SER D 73 SER^? A 215 ASP B 57 ASP^? ULMNm 3 2odj_o01 PORIN D user 3 3 RMSD = 1.46 A TRANSFORM -0.5986 -0.6230 0.5036 -0.7795 0.3081 -0.5454 -0.1846 0.7190 0.6700 -47.876 -76.469 36.507 B 156 HIS C 85 HIS^? B 208 ASP C 14 ASP^? B 296 SER A 73 SER^? ULMNm 3 1amy_c01 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 5 3 RMSD = 1.47 A TRANSFORM -0.2818 -0.0118 -0.9594 -0.8485 0.4699 0.2434 -0.4479 -0.8827 0.1424 10.555 -9.887 48.921 179 ASP B 77 ASP^? 214 ASP A 65 ASP^? 289 ASP A 57 ASP^? ULMNm 3 1rne_c04 RENIN (ACTIVATED, GLYCOSYLATED, INHIuser 6 3 RMSD = 1.47 A TRANSFORM 0.6857 0.0411 -0.7268 -0.0012 -0.9983 -0.0576 0.7279 -0.0404 0.6845 66.847 52.032 130.407 32 ASP C 58 ASP^? 35 SER A 73 SER^? 215 ASP C 57 ASP^? ULMNm 3 1bbs_c07 RENIN user 1 3 RMSD = 1.47 A TRANSFORM 0.7876 0.0805 0.6109 0.6048 0.0890 -0.7914 0.1181 -0.9928 -0.0214 93.913 85.501 134.114 32 ASP A 58 ASP^? 35 SER B 73 SER^? 215 ASP A 57 ASP^? ULMNm 3 1bbs_c06 RENIN user 1 3 RMSD = 1.47 A TRANSFORM 0.7876 0.0805 0.6109 0.6048 0.0890 -0.7914 0.1181 -0.9928 -0.0214 93.913 85.501 134.114 32 ASP A 58 ASP^? 35 SER B 73 SER^? 215 ASP A 57 ASP^? ULMNm 3 1rne_c04 RENIN (ACTIVATED, GLYCOSYLATED, INHIuser 1 3 RMSD = 1.47 A TRANSFORM 0.4744 -0.2613 -0.8407 -0.8728 -0.2643 -0.4104 0.1149 -0.9284 0.3534 62.202 -13.926 120.340 32 ASP A 58 ASP^? 35 SER B 73 SER^? 215 ASP A 57 ASP^? ULMNm 3 2apr_c04 ACID PROTEINASE (RHIZOPUSPEPSIN) (E.user 3 3 RMSD = 1.47 A TRANSFORM 0.3139 -0.9494 0.0108 0.9489 0.3133 -0.0367 -0.0314 -0.0218 -0.9993 80.403 85.281 125.018 35 ASP B 58 ASP^? 38 SER D 73 SER^? 218 ASP B 57 ASP^? ULMNm 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 3 3 RMSD = 1.48 A TRANSFORM 0.6195 0.6876 -0.3787 0.1177 0.3957 0.9108 -0.7761 0.6088 -0.1642 41.880 92.308 -50.616 193 ASP A 64 ASP^? 231 ASP E 65 ASP^? 294 ASP B 65 ASP^? ULMNm 3 1apt_c04 ISOVALERYL (IVA)-VAL-VAL-LYSTA-O-ET user 1 3 RMSD = 1.48 A TRANSFORM 0.5460 -0.7352 -0.4017 -0.1609 -0.5626 0.8109 0.8222 0.3781 0.4255 98.161 21.171 39.442 E 33 ASP A 58 ASP^? E 36 SER B 73 SER^? E 213 ASP A 57 ASP^? ULMNm 3 1bbs_c07 RENIN user 3 3 RMSD = 1.49 A TRANSFORM 0.0601 0.9411 0.3327 0.4243 0.2777 -0.8619 0.9035 -0.1929 0.3826 32.284 71.885 156.128 32 ASP C 58 ASP^? 35 SER A 73 SER^? 215 ASP C 57 ASP^? ULMNm 3 1bbs_c06 RENIN user 3 3 RMSD = 1.49 A TRANSFORM 0.0601 0.9411 0.3327 0.4243 0.2777 -0.8619 0.9035 -0.1929 0.3826 32.284 71.885 156.128 32 ASP C 58 ASP^? 35 SER A 73 SER^? 215 ASP C 57 ASP^? ULMNm 3 1eed_c04 ENDOTHIAPEPSIN (E.C.3.4.23.22) COMPLuser 1 3 RMSD = 1.49 A TRANSFORM -0.3665 -0.7173 -0.5926 0.9075 -0.4161 -0.0576 0.2052 0.5589 -0.8035 31.872 105.648 6.371 P 32 ASP A 58 ASP^? P 35 SER B 73 SER^? P 215 ASP A 57 ASP^? ULMNm 3 1apt_c04 ISOVALERYL (IVA)-VAL-VAL-LYSTA-O-ET user 5 3 RMSD = 1.49 A TRANSFORM 0.9802 0.1243 -0.1542 0.1571 -0.0143 0.9875 -0.1205 0.9921 0.0335 100.196 23.496 -27.293 E 33 ASP C 58 ASP^? E 36 SER A 73 SER^? E 213 ASP C 57 ASP^? ULMNm 3 1rne_c04 RENIN (ACTIVATED, GLYCOSYLATED, INHIuser 3 3 RMSD = 1.49 A TRANSFORM 0.1219 -0.2110 -0.9699 -0.5034 0.8290 -0.2436 -0.8554 -0.5179 0.0052 42.641 -20.666 56.567 32 ASP B 58 ASP^? 35 SER D 73 SER^? 215 ASP B 57 ASP^? ULMNm 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 5 3 RMSD = 1.49 A TRANSFORM 0.9509 -0.1994 -0.2365 0.1664 -0.3150 0.9344 0.2608 0.9279 0.2664 81.809 112.690 -2.175 193 ASP B 64 ASP^? 231 ASP C 65 ASP^? 294 ASP D 65 ASP^? ULMNm 3 1eed_c04 ENDOTHIAPEPSIN (E.C.3.4.23.22) COMPLuser 5 3 RMSD = 1.49 A TRANSFORM 0.6513 -0.7473 -0.1317 0.7460 0.6624 -0.0685 -0.1384 0.0536 -0.9889 88.054 69.692 1.576 P 32 ASP C 58 ASP^? P 35 SER A 73 SER^? P 215 ASP C 57 ASP^? ULMNm 3 1amy_c01 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 9 3 RMSD = 1.50 A TRANSFORM -0.7632 0.4581 -0.4557 0.6436 0.4767 -0.5987 0.0570 0.7503 0.6587 -52.505 99.387 19.460 179 ASP E 64 ASP^? 214 ASP C 57 ASP^? 289 ASP C 65 ASP^? ULMNm 3 1amy_c01 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 3 3 RMSD = 1.50 A TRANSFORM 0.1714 -0.5685 -0.8046 -0.8453 -0.5043 0.1763 0.5060 -0.6499 0.5670 49.230 14.018 94.196 179 ASP A 77 ASP^? 214 ASP C 65 ASP^? 289 ASP C 57 ASP^?