*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1e3v_c02 STEROID DELTA-ISOMERASE user 5 3 RMSD = 0.94 A TRANSFORM 0.7797 -0.5903 0.2088 0.3827 0.1854 -0.9051 0.4955 0.7856 0.3704 -10.626 -38.718 27.838 A 16 TYR A 80 TYR~? A 40 ASP A 29 ASP^? A 103 ASP A 32 ASP.? ULMNm 3 1e3v_c03 STEROID DELTA-ISOMERASE user 5 3 RMSD = 0.94 A TRANSFORM 0.8189 -0.5181 0.2469 -0.3864 -0.1797 0.9047 -0.4244 -0.8362 -0.3473 -14.516 1.444 114.964 B 16 TYR A 80 TYR~? B 40 ASP A 29 ASP^? B 103 ASP A 32 ASP.? ULMNm 3 3uby_d00 HYDROLASE/DNA user 1 3 RMSD = 0.97 A TRANSFORM -0.1015 -0.3478 0.9320 0.5380 0.7689 0.3455 -0.8368 0.5365 0.1091 20.713 -59.794 55.760 A 162 TYR A 80 TYR~? A 164 MET A 83 MET?? A 165 TYR A 84 TYR~? ULMNm 3 1do8_c03 MALIC ENZYME user 5 3 RMSD = 1.11 A TRANSFORM -0.2903 0.7227 0.6273 0.7749 -0.2071 0.5971 0.5614 0.6595 -0.4999 14.878 -51.780 -52.203 D 112 TYR A 80 TYR~? D 183 LYS A 78 LYS~? D 278 ASP A 29 ASP^? ULMNm 3 1do8_c00 MALIC ENZYME user 5 3 RMSD = 1.13 A TRANSFORM 0.1206 0.9775 0.1731 -0.7840 0.2008 -0.5874 -0.6089 -0.0649 0.7906 -27.129 51.621 67.165 A 112 TYR A 80 TYR~? A 183 LYS A 78 LYS~? A 278 ASP A 29 ASP^? ULMNm 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 2 3 RMSD = 1.14 A TRANSFORM 0.5159 -0.8455 -0.1378 -0.7305 -0.5183 0.4447 -0.4474 -0.1287 -0.8850 12.945 125.694 58.074 179 ASP A 63 ASP.? 227 GLU A 121 GLU~? 289 ASP A 29 ASP^? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 3 3 RMSD = 1.16 A TRANSFORM 0.1182 -0.1489 0.9818 0.5642 -0.8035 -0.1898 0.8171 0.5764 -0.0110 55.733 3.438 -60.829 A 67 ASP A 21 ASP.? A 68 ALA A 24 ALA^? A 72 LEU A 26 LEU^? ULMNm 3 1do8_c01 MALIC ENZYME user 5 3 RMSD = 1.18 A TRANSFORM 0.4103 -0.8648 -0.2894 -0.3058 -0.4294 0.8498 -0.8592 -0.2602 -0.4406 76.820 40.913 112.417 B 112 TYR A 80 TYR~? B 183 LYS A 78 LYS~? B 278 ASP A 29 ASP^? ULMNm 3 1do8_c02 MALIC ENZYME user 5 3 RMSD = 1.19 A TRANSFORM -0.2078 -0.8418 -0.4983 0.3103 0.4264 -0.8497 0.9277 -0.3312 0.1726 123.687 -41.585 -22.448 C 112 TYR A 80 TYR~? C 183 LYS A 78 LYS~? C 278 ASP A 29 ASP^? ULMNm 3 1rne_c04 RENIN (ACTIVATED, GLYCOSYLATED, INHIuser 8 3 RMSD = 1.19 A TRANSFORM -0.9749 0.1880 0.1189 0.0475 0.6982 -0.7144 -0.2173 -0.6908 -0.6896 63.098 0.970 117.464 32 ASP A 86 ASP~? 35 SER A 107 SER~? 215 ASP A 105 ASP~? ULMNm 3 1amy_c01 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 3 3 RMSD = 1.19 A TRANSFORM 0.5214 -0.8532 0.0140 -0.3920 -0.2540 -0.8842 0.7580 0.4555 -0.4669 13.134 97.583 -26.758 179 ASP A 63 ASP.? 214 ASP A 9 ASP~? 289 ASP A 29 ASP^? ULMNm 3 1eag_c04 PEPTIDE INHIBITOR user 8 3 RMSD = 1.20 A TRANSFORM -0.0933 0.4871 -0.8683 -0.7396 0.5499 0.3880 0.6665 0.6784 0.3090 48.326 44.005 -57.697 A 32 ASP A 86 ASP~? A 35 SER A 107 SER~? A 218 ASP A 105 ASP~? ULMNm 3 1oqz_c01 GLUTARYL ACYLASE user 1 3 RMSD = 1.20 A TRANSFORM -0.7062 -0.6561 -0.2662 -0.6944 0.7152 0.0796 0.1381 0.2411 -0.9606 101.901 24.548 -12.049 B 170 SER A 70 SER^? B 239 VAL A 7 VAL^? B 413 ASN A 71 ASN.? ULMNm 3 1oqz_c00 GLUTARYL ACYLASE user 3 3 RMSD = 1.20 A TRANSFORM 0.7102 0.6595 0.2463 -0.6906 0.7205 0.0622 -0.1365 -0.2143 0.9672 3.181 58.483 65.945 A 170 SER A 70 SER^? A 239 VAL A 7 VAL^? A 413 ASN A 71 ASN.? ULMNm 3 1apt_c04 ISOVALERYL (IVA)-VAL-VAL-LYSTA-O-ET user 8 3 RMSD = 1.22 A TRANSFORM -0.9097 -0.3388 -0.2401 0.4128 -0.6749 -0.6116 0.0452 -0.6555 0.7539 95.298 18.129 25.653 E 33 ASP A 86 ASP~? E 36 SER A 107 SER~? E 213 ASP A 105 ASP~? ULMNm 3 1eed_c04 ENDOTHIAPEPSIN (E.C.3.4.23.22) COMPLuser 6 3 RMSD = 1.22 A TRANSFORM -0.5610 0.3544 -0.7481 -0.7065 -0.6760 0.2095 -0.4315 0.6460 0.6296 42.044 95.171 8.671 P 32 ASP A 86 ASP~? P 35 SER A 107 SER~? P 215 ASP A 105 ASP~? ULMNm 3 1mpp_c04 PEPSIN (RENIN) (E.C.3.4.23.23) user 6 3 RMSD = 1.23 A TRANSFORM 0.2777 0.8081 -0.5195 0.9239 -0.0764 0.3750 0.2633 -0.5841 -0.7678 -15.225 -43.442 45.401 32 ASP A 86 ASP~? 35 SER A 107 SER~? 215 ASP A 105 ASP~? ULMNm 3 2apr_c04 ACID PROTEINASE (RHIZOPUSPEPSIN) (E.user 6 3 RMSD = 1.23 A TRANSFORM -0.3123 -0.7856 0.5341 0.1322 0.5208 0.8434 -0.9407 0.3340 -0.0588 78.555 22.850 151.563 35 ASP A 86 ASP~? 38 SER A 107 SER~? 218 ASP A 105 ASP~? ULMNm 3 1b57_c00 FRUCTOSE-BISPHOSPHATE ALDOLASE II user 1 3 RMSD = 1.24 A TRANSFORM 0.2319 0.9424 0.2412 -0.8549 0.0791 0.5128 0.4641 -0.3251 0.8239 -32.388 94.114 108.273 A 109 ASP A 57 ASP.? A 182 GLU A 121 GLU~? A 286 ASN A 23 ASN.? ULMNm 3 1bbs_c06 RENIN user 7 3 RMSD = 1.26 A TRANSFORM 0.0681 -0.8784 0.4731 -0.8491 0.1980 0.4897 -0.5238 -0.4351 -0.7323 79.416 83.981 133.957 32 ASP A 86 ASP~? 35 SER A 107 SER~? 215 ASP A 105 ASP~? ULMNm 3 1bbs_c07 RENIN user 7 3 RMSD = 1.26 A TRANSFORM 0.0681 -0.8784 0.4731 -0.8491 0.1980 0.4897 -0.5238 -0.4351 -0.7323 79.416 83.981 133.957 32 ASP A 86 ASP~? 35 SER A 107 SER~? 215 ASP A 105 ASP~? ULMNm 3 1sme_c04 PLASMEPSIN II user 6 3 RMSD = 1.26 A TRANSFORM -0.5354 0.4224 0.7314 -0.4488 -0.8759 0.1774 0.7155 -0.2333 0.6585 60.604 113.483 -24.977 A 34 ASP A 86 ASP~? A 37 SER A 107 SER~? A 214 ASP A 105 ASP~? ULMNm 3 1am5_c04 PEPSIN user 6 3 RMSD = 1.27 A TRANSFORM 0.1949 0.8360 -0.5129 0.5284 -0.5300 -0.6632 -0.8263 -0.1418 -0.5451 -39.500 3.202 206.374 32 ASP A 86 ASP~? 35 SER A 107 SER~? 215 ASP A 105 ASP~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 4 3 RMSD = 1.27 A TRANSFORM 0.3931 -0.7997 -0.4538 0.8934 0.2154 0.3941 -0.2174 -0.5604 0.7992 64.656 -45.665 54.159 A 67 ASP A 63 ASP.? A 68 ALA A 36 ALA~? A 72 LEU A 37 LEU~? ULMNm 3 1geq_c02 TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT user 2 3 RMSD = 1.28 A TRANSFORM 0.2872 0.6004 -0.7463 -0.9258 0.3738 -0.0556 0.2456 0.7069 0.6633 1.829 52.326 20.474 A 36 GLU A 66 GLU^? A 47 ASP A 87 ASP~? A 161 TYR A 77 TYR^? ULMNm 3 1geq_c03 TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT user 2 3 RMSD = 1.28 A TRANSFORM 0.9566 -0.2905 0.0251 -0.2191 -0.6594 0.7192 -0.1924 -0.6934 -0.6943 14.686 70.063 103.314 B 36 GLU A 66 GLU^? B 47 ASP A 87 ASP~? B 161 TYR A 77 TYR^? ULMNm 3 1m53_c06 ISOMALTULOSE SYNTHASE user 1 3 RMSD = 1.30 A TRANSFORM 0.5580 0.3657 0.7449 0.8289 -0.2895 -0.4787 0.0406 0.8845 -0.4647 -31.805 4.797 44.874 A 241 ASP A 29 ASP^? A 279 GLU A 109 GLU^? A 369 ASP A 63 ASP.? ULMNm 3 2jxr_c04 LIGAND CP-081282 user 9 3 RMSD = 1.30 A TRANSFORM 0.5752 -0.4518 -0.6819 0.0057 -0.8314 0.5557 -0.8180 -0.3235 -0.4757 -25.154 81.192 110.060 A 32 ASP A 86 ASP~? A 35 SER A 107 SER~? A 215 ASP A 105 ASP~? ULMNm 3 1e3v_c03 STEROID DELTA-ISOMERASE user 2 3 RMSD = 1.30 A TRANSFORM -0.7983 -0.0076 -0.6023 0.5360 0.4472 -0.7160 0.2748 -0.8944 -0.3530 47.627 -65.043 82.524 B 16 TYR A 64 TYR.? B 40 ASP A 32 ASP.? B 103 ASP A 29 ASP^? ULMNm 3 1e3v_c02 STEROID DELTA-ISOMERASE user 2 3 RMSD = 1.32 A TRANSFORM -0.7739 -0.0895 -0.6269 -0.5315 -0.4464 0.7199 -0.3442 0.8904 0.2979 48.714 27.543 65.609 A 16 TYR A 64 TYR.? A 40 ASP A 32 ASP.? A 103 ASP A 29 ASP^? ULMNm 3 1fdy_c03 N-ACETYLNEURAMINATE LYASE user 13 3 RMSD = 1.34 A TRANSFORM -0.0749 -0.5800 0.8112 0.6439 0.5931 0.4834 -0.7615 0.5585 0.3290 9.031 -142.719 7.500 D 137 TYR A 64 TYR.? D 142 LEU A 52 LEU^? D 165 LYS A 78 LYS~? ULMNm 3 1fdy_c00 N-ACETYLNEURAMINATE LYASE user 12 3 RMSD = 1.38 A TRANSFORM 0.9280 -0.0376 -0.3706 -0.1226 -0.9703 -0.2086 -0.3518 0.2390 -0.9051 -84.413 -39.991 -16.528 A 137 TYR A 64 TYR.? A 142 LEU A 52 LEU^? A 165 LYS A 78 LYS~? ULMNm 3 1fdy_c01 N-ACETYLNEURAMINATE LYASE user 13 3 RMSD = 1.38 A TRANSFORM -0.8134 0.2962 0.5007 -0.5724 -0.5610 -0.5980 0.1037 -0.7730 0.6259 30.712 -24.112 -7.237 B 137 TYR A 64 TYR.? B 142 LEU A 52 LEU^? B 165 LYS A 78 LYS~? ULMNm 3 1amy_c01 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 1 3 RMSD = 1.40 A TRANSFORM 0.7855 0.0657 -0.6154 -0.1351 0.9886 -0.0669 0.6040 0.1357 0.7854 -36.279 38.012 -5.229 179 ASP A 32 ASP.? 214 ASP A 9 ASP~? 289 ASP A 29 ASP^? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 2 3 RMSD = 1.40 A TRANSFORM -0.9417 -0.1726 0.2887 -0.1730 -0.4875 -0.8558 0.2885 -0.8559 0.4293 120.409 30.947 22.123 A 67 ASP A 10 ASP~? A 68 ALA A 11 ALA~? A 72 LEU A 100 LEU^? ULMNm 3 1vzz_c00 STEROID DELTA-ISOMERASE user 3 3 RMSD = 1.42 A TRANSFORM 0.8417 -0.0716 0.5352 -0.2938 -0.8923 0.3427 0.4530 -0.4456 -0.7721 -29.646 70.398 5.290 A 16 TYR A 64 TYR.? A 40 ASP A 31 ASP.? A 103 LEU A 52 LEU^? ULMNm 3 1vzz_c01 STEROID DELTA-ISOMERASE user 3 3 RMSD = 1.45 A TRANSFORM 0.7256 -0.0061 0.6881 0.3144 0.8924 -0.3237 -0.6121 0.4512 0.6495 -24.007 -35.171 50.872 B 16 TYR A 64 TYR.? B 40 ASP A 31 ASP.? B 103 LEU A 52 LEU^? ULMNm 3 1qho_c05 ALPHA-AMYLASE user 1 3 RMSD = 1.47 A TRANSFORM -0.7179 0.4417 -0.5380 -0.5600 -0.8255 0.0695 -0.4134 0.3512 0.8401 49.537 144.025 46.562 A 228 ASP A 21 ASP.? A 261 ASP A 63 ASP.? A 329 ASP A 57 ASP.? ULMNm 3 1euu_c00 SIALIDASE user 4 3 RMSD = 1.49 A TRANSFORM 0.6396 -0.2446 -0.7287 -0.6207 0.3948 -0.6774 0.4534 0.8856 0.1007 -16.458 10.717 -42.613 92 ASP A 69 ASP^? 260 GLU A 66 GLU^? 370 TYR A 77 TYR^?