*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1vzz_c00 STEROID DELTA-ISOMERASE user 3 3 RMSD = 0.83 A TRANSFORM -0.2828 0.5887 -0.7573 -0.7620 -0.6174 -0.1955 0.5826 -0.5217 -0.6232 1.666 83.435 1.682 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 = 0.88 A TRANSFORM -0.4083 0.6606 -0.6299 0.7494 0.6367 0.1819 -0.5213 0.3978 0.7550 7.512 -47.261 48.348 B 16 TYR A 64 TYR.? B 40 ASP A 31 ASP.? B 103 LEU A 52 LEU^? ULMNm 3 1geq_c02 TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT user 1 3 RMSD = 1.10 A TRANSFORM -0.6539 -0.5437 0.5261 -0.7429 0.5929 -0.3107 0.1430 0.5940 0.7916 92.966 34.598 30.031 A 36 GLU A 66 GLU^? A 47 ASP A 69 ASP^? A 161 TYR A 77 TYR^? ULMNm 3 1geq_c03 TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT user 1 3 RMSD = 1.10 A TRANSFORM 0.6930 -0.6070 0.3889 0.7068 0.4661 -0.5321 -0.1417 -0.6436 -0.7521 40.199 -19.580 98.788 B 36 GLU A 66 GLU^? B 47 ASP A 69 ASP^? B 161 TYR A 77 TYR^? ULMNm 3 1do8_c03 MALIC ENZYME user 5 3 RMSD = 1.17 A TRANSFORM -0.0106 0.3420 0.9397 -0.0658 0.9374 -0.3419 0.9978 0.0655 -0.0126 14.801 -51.548 -52.323 D 112 TYR A 80 TYR~? D 183 LYS A 78 LYS~? D 278 ASP A 29 ASP^? ULMNm 3 1e3v_c02 STEROID DELTA-ISOMERASE user 2 3 RMSD = 1.21 A TRANSFORM 0.1249 -0.3047 0.9442 -0.9370 -0.3493 0.0112 -0.3264 0.8861 0.3292 10.434 44.810 64.847 A 16 TYR A 64 TYR.? A 40 ASP A 32 ASP.? A 103 ASP A 29 ASP^? ULMNm 3 1e3v_c03 STEROID DELTA-ISOMERASE user 2 3 RMSD = 1.22 A TRANSFORM 0.1033 -0.2218 0.9696 0.9357 0.3523 -0.0191 0.3373 -0.9092 -0.2439 9.170 -82.094 79.857 B 16 TYR A 64 TYR.? B 40 ASP A 32 ASP.? B 103 ASP A 29 ASP^? ULMNm 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 2 3 RMSD = 1.24 A TRANSFORM -0.7992 0.6010 0.0065 -0.5625 -0.7442 -0.3603 0.2117 0.2916 -0.9328 48.478 159.429 -9.167 193 ASP A 29 ASP^? 231 ASP A 105 ASP~? 294 ASP A 32 ASP.? ULMNm 3 1do8_c00 MALIC ENZYME user 5 3 RMSD = 1.25 A TRANSFORM 0.6137 0.3164 0.7234 0.0613 -0.9325 0.3559 -0.7872 0.1741 0.5917 -27.661 50.707 67.358 A 112 TYR A 80 TYR~? A 183 LYS A 78 LYS~? A 278 ASP A 29 ASP^? ULMNm 3 1do8_c01 MALIC ENZYME user 5 3 RMSD = 1.26 A TRANSFORM -0.2143 -0.0426 -0.9758 -0.9114 0.3679 0.1841 -0.3512 -0.9289 0.1177 78.058 42.113 111.410 B 112 TYR A 80 TYR~? B 183 LYS A 78 LYS~? B 278 ASP A 29 ASP^? ULMNm 3 1rne_c04 RENIN (ACTIVATED, GLYCOSYLATED, INHIuser 8 3 RMSD = 1.27 A TRANSFORM -0.8636 0.0017 -0.5042 -0.1163 0.9724 0.2024 -0.4906 -0.2335 0.8396 70.991 -10.645 98.090 32 ASP A 86 ASP~? 35 SER A 107 SER~? 215 ASP A 105 ASP~? ULMNm 3 1d6o_c00 FK506-BINDING PROTEIN user 4 3 RMSD = 1.29 A TRANSFORM 0.9401 -0.2500 -0.2316 0.2357 -0.0140 0.9717 0.2462 0.9681 -0.0458 13.574 -30.074 -55.479 A 37 ASP A 87 ASP~? A 56 ILE A 68 ILE^? A 82 TYR A 77 TYR^? ULMNm 3 1lio_c01 ADENOSINE KINASE user 1 3 RMSD = 1.29 A TRANSFORM 0.4827 0.3879 0.7852 -0.7153 0.6920 0.0978 0.5054 0.6088 -0.6115 -9.466 26.404 -11.517 A 316 ALA A 36 ALA~? A 317 GLY A 35 GLY~? A 318 ASP A 63 ASP.? ULMNm 3 1d6o_c01 FK506-BINDING PROTEIN user 4 3 RMSD = 1.31 A TRANSFORM 0.9386 -0.2502 -0.2376 0.2340 -0.0443 0.9712 0.2535 0.9672 -0.0170 16.628 -45.210 -83.913 B 37 ASP A 87 ASP~? B 56 ILE A 68 ILE^? B 82 TYR A 77 TYR^? ULMNm 3 2tpl_c04 TYROSINE PHENOL-LYASE user 5 3 RMSD = 1.31 A TRANSFORM -0.4372 -0.0134 -0.8993 0.1047 0.9923 -0.0656 -0.8933 0.1228 0.4325 -5.551 -53.421 42.439 A 122 TYR A 84 TYR~? A 214 ASP A 29 ASP^? A 256 LYS A 39 LYS~? ULMNm 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 11 3 RMSD = 1.31 A TRANSFORM -0.2460 -0.3585 -0.9005 0.0972 0.9153 -0.3909 -0.9644 0.1837 0.1903 54.828 49.743 54.143 193 ASP A 59 ASP.? 231 ASP A 69 ASP^? 294 ASP A 57 ASP.? ULMNm 3 1lij_c01 ADENOSINE KINASE user 1 3 RMSD = 1.32 A TRANSFORM -0.4650 -0.8705 -0.1611 -0.0592 -0.1509 0.9868 0.8833 -0.4684 -0.0186 204.017 31.479 -24.610 A 316 ALA A 36 ALA~? A 317 GLY A 35 GLY~? A 318 ASP A 63 ASP.? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.32 A TRANSFORM -0.2210 -0.0691 -0.9728 -0.9746 -0.0214 0.2229 0.0363 -0.9974 0.0627 36.392 31.074 38.949 A 250 ALA A 36 ALA~? A 251 GLY A 35 GLY~? A 252 ASP A 63 ASP.? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 3 3 RMSD = 1.33 A TRANSFORM -0.5178 -0.6258 0.5833 0.7250 -0.6829 -0.0891 -0.4541 -0.3768 -0.8074 113.954 -11.283 55.531 A 67 ASP A 21 ASP.? A 68 ALA A 24 ALA^? A 72 LEU A 26 LEU^? ULMNm 3 1apt_c04 ISOVALERYL (IVA)-VAL-VAL-LYSTA-O-ET user 8 3 RMSD = 1.33 A TRANSFORM -0.9653 -0.2502 0.0742 0.1339 -0.2309 0.9637 0.2240 -0.9403 -0.2564 91.448 -1.167 38.027 E 33 ASP A 86 ASP~? E 36 SER A 107 SER~? E 213 ASP A 105 ASP~? ULMNm 3 2apr_c04 ACID PROTEINASE (RHIZOPUSPEPSIN) (E.user 6 3 RMSD = 1.34 A TRANSFORM -0.1944 -0.9702 -0.1448 0.4347 0.0471 -0.8993 -0.8793 0.2378 -0.4126 86.804 44.027 155.862 35 ASP A 86 ASP~? 38 SER A 107 SER~? 218 ASP A 105 ASP~? ULMNm 3 1eed_c04 ENDOTHIAPEPSIN (E.C.3.4.23.22) COMPLuser 6 3 RMSD = 1.34 A TRANSFORM -0.7367 0.6301 0.2455 -0.6596 -0.7495 -0.0554 -0.1490 0.2027 -0.9678 29.996 98.384 28.041 P 32 ASP A 86 ASP~? P 35 SER A 107 SER~? P 215 ASP A 105 ASP~? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.35 A TRANSFORM 0.9020 0.0466 -0.4292 0.4257 -0.2618 0.8662 0.0720 0.9640 0.2560 -29.544 -27.480 -93.543 B 250 ALA A 36 ALA~? B 251 GLY A 35 GLY~? B 252 ASP A 63 ASP.? ULMNm 3 1qho_c07 ALPHA-AMYLASE user 5 3 RMSD = 1.35 A TRANSFORM 0.9902 -0.1186 0.0736 0.0991 0.9686 0.2281 0.0984 0.2186 -0.9708 -11.415 29.455 16.951 A 228 ASP A 32 ASP.? A 260 ASP A 59 ASP.? A 329 ASP A 29 ASP^? ULMNm 3 1am5_c04 PEPSIN user 6 3 RMSD = 1.36 A TRANSFORM 0.0938 0.9928 0.0743 0.2485 -0.0957 0.9639 -0.9641 0.0720 0.2556 -46.604 -16.482 196.687 32 ASP A 86 ASP~? 35 SER A 107 SER~? 215 ASP A 105 ASP~? ULMNm 3 1mpp_c04 PEPSIN (RENIN) (E.C.3.4.23.23) user 6 3 RMSD = 1.36 A TRANSFORM 0.1683 0.9792 0.1132 0.9849 -0.1718 0.0223 -0.0413 -0.1077 0.9933 -22.913 -39.157 24.003 32 ASP A 86 ASP~? 35 SER A 107 SER~? 215 ASP A 105 ASP~? ULMNm 3 1bbs_c07 RENIN user 7 3 RMSD = 1.37 A TRANSFORM 0.1420 -0.9889 0.0430 -0.6337 -0.1242 -0.7635 -0.7604 -0.0812 0.6443 84.494 98.781 117.700 32 ASP A 86 ASP~? 35 SER A 107 SER~? 215 ASP A 105 ASP~? ULMNm 3 1bbs_c06 RENIN user 7 3 RMSD = 1.37 A TRANSFORM 0.1420 -0.9889 0.0430 -0.6337 -0.1242 -0.7635 -0.7604 -0.0812 0.6443 84.494 98.781 117.700 32 ASP A 86 ASP~? 35 SER A 107 SER~? 215 ASP A 105 ASP~? ULMNm 3 1eag_c04 PEPTIDE INHIBITOR user 8 3 RMSD = 1.38 A TRANSFORM -0.3212 0.8449 0.4277 -0.5268 0.2159 -0.8221 0.7870 0.4894 -0.3757 32.592 58.695 -49.385 A 32 ASP A 86 ASP~? A 35 SER A 107 SER~? A 218 ASP A 105 ASP~? ULMNm 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 1 3 RMSD = 1.38 A TRANSFORM -0.3370 0.9354 0.1072 -0.8117 -0.3463 0.4703 -0.4770 -0.0714 -0.8760 -17.709 122.684 57.209 179 ASP A 29 ASP^? 227 GLU A 121 GLU~? 289 ASP A 63 ASP.? ULMNm 3 1cjy_c01 CYTOSOLIC PHOSPHOLIPASE A2 user 5 3 RMSD = 1.39 A TRANSFORM 0.7165 -0.6035 -0.3500 -0.1016 0.4061 -0.9081 -0.6902 -0.6862 -0.2297 118.683 59.523 186.306 B1198 GLY A 35 GLY~? B1228 SER A 38 SER~? B1549 ASP A 31 ASP.? ULMNm 3 1sme_c04 PLASMEPSIN II user 6 3 RMSD = 1.39 A TRANSFORM -0.2331 -0.0186 -0.9723 -0.4390 -0.8901 0.1223 0.8677 -0.4553 -0.1993 80.231 114.117 -15.095 A 34 ASP A 86 ASP~? A 37 SER A 107 SER~? A 214 ASP A 105 ASP~? ULMNm 3 1e3v_c03 STEROID DELTA-ISOMERASE user 5 3 RMSD = 1.40 A TRANSFORM -0.0878 0.6694 -0.7377 -0.8133 0.3795 0.4411 -0.5752 -0.6387 -0.5111 -12.086 2.589 115.368 B 16 TYR A 80 TYR~? B 40 ASP A 29 ASP^? B 103 ASP A 32 ASP.? ULMNm 3 1e3v_c02 STEROID DELTA-ISOMERASE user 5 3 RMSD = 1.41 A TRANSFORM -0.1334 0.6061 -0.7841 0.8158 -0.3821 -0.4341 0.5627 0.6976 0.4435 -8.190 -39.873 27.658 A 16 TYR A 80 TYR~? A 40 ASP A 29 ASP^? A 103 ASP A 32 ASP.? ULMNm 3 1do8_c02 MALIC ENZYME user 5 3 RMSD = 1.42 A TRANSFORM -0.3842 -0.6096 -0.6934 0.9123 -0.3660 -0.1837 0.1418 0.7032 -0.6967 124.041 -42.796 -20.868 C 112 TYR A 80 TYR~? C 183 LYS A 78 LYS~? C 278 ASP A 29 ASP^? ULMNm 3 1d6o_c00 FK506-BINDING PROTEIN user 3 3 RMSD = 1.42 A TRANSFORM 0.9292 -0.1846 -0.3202 0.1809 -0.5283 0.8296 0.3223 0.8288 0.4575 12.155 -4.958 -57.808 A 37 ASP A 86 ASP~? A 56 ILE A 68 ILE^? A 82 TYR A 77 TYR^? ULMNm 3 1b57_c00 FRUCTOSE-BISPHOSPHATE ALDOLASE II user 1 3 RMSD = 1.44 A TRANSFORM 0.2020 0.7601 0.6176 -0.7854 0.5025 -0.3614 0.5851 0.4121 -0.6985 -17.159 58.748 46.685 A 109 ASP A 57 ASP.? A 182 GLU A 121 GLU~? A 286 ASN A 23 ASN.? ULMNm 3 1d6o_c01 FK506-BINDING PROTEIN user 3 3 RMSD = 1.45 A TRANSFORM 0.9280 -0.1809 -0.3257 0.1774 -0.5543 0.8132 0.3276 0.8124 0.4823 15.028 -20.049 -85.473 B 37 ASP A 86 ASP~? B 56 ILE A 68 ILE^? B 82 TYR A 77 TYR^? ULMNm 3 1geq_c02 TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT user 2 3 RMSD = 1.47 A TRANSFORM -0.9172 -0.0590 -0.3941 0.0919 0.9310 -0.3532 -0.3878 0.3601 0.8485 94.786 -26.220 69.359 A 36 GLU A 66 GLU^? A 47 ASP A 87 ASP~? A 161 TYR A 77 TYR^? ULMNm 3 1qho_c05 ALPHA-AMYLASE user 1 3 RMSD = 1.47 A TRANSFORM -0.4262 0.8892 -0.1665 0.1386 0.2461 0.9593 -0.8939 -0.3858 0.2282 14.839 60.915 103.720 A 228 ASP A 21 ASP.? A 261 ASP A 63 ASP.? A 329 ASP A 57 ASP.? ULMNm 3 1geq_c03 TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT user 2 3 RMSD = 1.47 A TRANSFORM -0.1839 -0.9152 0.3585 0.9220 -0.0342 0.3856 0.3406 -0.4014 -0.8502 102.722 -18.024 62.166 B 36 GLU A 66 GLU^? B 47 ASP A 87 ASP~? B 161 TYR A 77 TYR^? ULMNm 3 1d5r_c00 PHOSPHOINOSITIDE PHOSPHOTASE PTEN user 1 3 RMSD = 1.47 A TRANSFORM 0.6445 -0.1201 -0.7551 -0.7598 0.0093 -0.6500 -0.0851 -0.9927 0.0852 7.495 123.677 63.595 A 92 ASP A 29 ASP^? A 124 CYH A 43 CYH.? A 130 ARG A 50 ARG^? ULMNm 3 1amy_c01 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 1 3 RMSD = 1.48 A TRANSFORM 0.8279 0.2955 -0.4766 -0.3791 -0.3315 -0.8640 0.4133 -0.8960 0.1624 -46.935 99.214 42.603 179 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 = 1.49 A TRANSFORM -0.8889 0.1350 -0.4378 -0.2513 -0.9427 0.2195 0.3831 -0.3052 -0.8718 106.434 51.629 -2.901 A 67 ASP A 10 ASP~? A 68 ALA A 11 ALA~? A 72 LEU A 100 LEU^? ULMNm 3 2jxr_c04 LIGAND CP-081282 user 9 3 RMSD = 1.49 A TRANSFORM 0.2827 0.0189 0.9590 0.1068 -0.9942 -0.0119 -0.9532 -0.1058 0.2831 -45.377 88.186 100.709 A 32 ASP A 86 ASP~? A 35 SER A 107 SER~? A 215 ASP A 105 ASP~?