*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 5 3 RMSD = 0.77 A TRANSFORM 0.3911 0.3818 0.8374 0.8237 -0.5512 -0.1333 0.4107 0.7419 -0.5300 -21.108 15.763 -37.613 A 465 GLY A 71 GLY~? A 501 ASP A 157 ASP~? B 367 TYR A 79 TYR.? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 5 3 RMSD = 0.77 A TRANSFORM -0.3781 0.7010 0.6046 -0.8317 0.0295 -0.5544 -0.4065 -0.7125 0.5719 12.559 86.736 -29.550 D 465 GLY A 71 GLY~? D 501 ASP A 157 ASP~? E 367 TYR A 79 TYR.? ULMNm 3 1d6o_c00 FK506-BINDING PROTEIN user 5 3 RMSD = 1.04 A TRANSFORM 0.4335 -0.4333 0.7902 0.2901 -0.7630 -0.5776 0.8532 0.4796 -0.2050 58.184 13.885 -40.481 A 37 ASP A 105 ASP~? A 56 ILE A 100 ILE~? A 82 TYR A 129 TYR~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 1 3 RMSD = 1.05 A TRANSFORM -0.9038 -0.0324 0.4268 -0.2142 -0.8290 -0.5166 0.3705 -0.5583 0.7423 7.454 36.651 -6.697 141 ASP A 159 ASP~? 166 GLY A 71 GLY~? 169 GLU A 73 GLU^? ULMNm 3 1d6o_c01 FK506-BINDING PROTEIN user 5 3 RMSD = 1.07 A TRANSFORM 0.4355 -0.4271 0.7924 0.2667 -0.7796 -0.5667 0.8598 0.4582 -0.2256 60.805 -1.428 -67.589 B 37 ASP A 105 ASP~? B 56 ILE A 100 ILE~? B 82 TYR A 129 TYR~? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 14 3 RMSD = 1.07 A TRANSFORM -0.5337 -0.7834 -0.3185 -0.2606 0.5106 -0.8194 0.8045 -0.3543 -0.4767 63.027 42.123 84.706 A 241 ASP A 117 ASP~? A 265 GLU A 24 GLU~? A 369 ASP A 90 ASP.? ULMNm 3 2bhg_c02 FOOT-AND-MOUTH DISEASE VIRUS 3C PROTuser 1 3 RMSD = 1.14 A TRANSFORM -0.2905 -0.4923 -0.8205 -0.7820 -0.3720 0.5001 -0.5514 0.7869 -0.2769 66.321 21.244 14.908 B 46 HIS A 64 HIS~? B 163 ALA A 54 ALA.? B 182 SER A 55 SER.? ULMNm 3 1qrz_c23 PLASMINOGEN user 1 3 RMSD = 1.16 A TRANSFORM 0.1703 0.2758 0.9460 -0.4061 0.8944 -0.1876 -0.8978 -0.3522 0.2643 -85.244 -6.713 75.695 D 603 HIS A 64 HIS~? D 646 ASP A 57 ASP~? D 739 GLY A 89 GLY.? ULMNm 3 1qrz_c21 PLASMINOGEN user 1 3 RMSD = 1.16 A TRANSFORM 0.9118 0.4062 0.0605 0.3913 -0.9040 0.1720 0.1245 -0.1331 -0.9832 -86.416 1.751 17.501 B 603 HIS A 64 HIS~? B 646 ASP A 57 ASP~? B 739 GLY A 89 GLY.? ULMNm 3 1qrz_c20 PLASMINOGEN user 1 3 RMSD = 1.18 A TRANSFORM 0.8919 0.4507 0.0382 0.4433 -0.8878 0.1240 0.0898 -0.0937 -0.9915 -58.380 0.964 56.401 A 603 HIS A 64 HIS~? A 646 ASP A 57 ASP~? A 739 GLY A 89 GLY.? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 1 3 RMSD = 1.19 A TRANSFORM -0.4064 0.8271 0.3883 -0.8129 -0.1333 -0.5669 -0.4171 -0.5461 0.7265 15.878 90.824 -37.393 D 465 GLY A 69 GLY~? D 501 ASP A 157 ASP~? E 367 TYR A 79 TYR.? ULMNm 3 1qrz_c22 PLASMINOGEN user 1 3 RMSD = 1.20 A TRANSFORM 0.1779 0.2264 0.9576 -0.4247 0.8956 -0.1328 -0.8877 -0.3830 0.2555 -30.796 -7.739 37.923 C 603 HIS A 64 HIS~? C 646 ASP A 57 ASP~? C 739 GLY A 89 GLY.? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 1 3 RMSD = 1.20 A TRANSFORM 0.3583 0.5954 0.7191 0.8340 -0.5502 0.0401 0.4195 0.5854 -0.6937 -22.588 10.759 -29.738 A 465 GLY A 69 GLY~? A 501 ASP A 157 ASP~? B 367 TYR A 79 TYR.? ULMNm 3 1cjy_c00 CYTOSOLIC PHOSPHOLIPASE A2 user 1 3 RMSD = 1.21 A TRANSFORM 0.8070 -0.5210 0.2780 -0.5902 -0.6936 0.4130 -0.0223 -0.4974 -0.8673 39.545 20.140 92.930 A 198 GLY A 116 GLY~? A 228 SER A 113 SER.? A 549 ASP A 14 ASP^? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 7 3 RMSD = 1.24 A TRANSFORM 0.5766 -0.7832 -0.2329 0.5205 0.1324 0.8435 -0.6298 -0.6075 0.4840 25.261 -3.656 109.384 A 241 ASP A 90 ASP.? A 265 GLU A 101 GLU~? A 369 ASP A 14 ASP^? ULMNm 3 1cjy_c01 CYTOSOLIC PHOSPHOLIPASE A2 user 1 3 RMSD = 1.25 A TRANSFORM 0.1045 -0.9054 0.4116 -0.9900 -0.1342 -0.0440 0.0951 -0.4029 -0.9103 148.759 100.160 159.362 B1198 GLY A 116 GLY~? B1228 SER A 113 SER.? B1549 ASP A 14 ASP^? ULMNm 3 1uok_c05 OLIGO-1,6-GLUCOSIDASE user 2 3 RMSD = 1.25 A TRANSFORM 0.6883 0.3293 0.6463 -0.0905 0.9230 -0.3739 -0.7197 0.1989 0.6652 9.616 18.016 13.908 199 ASP A 14 ASP^? 242 GLU A 44 GLU^? 329 ASP A 90 ASP.? ULMNm 3 1vzz_c00 STEROID DELTA-ISOMERASE user 1 3 RMSD = 1.26 A TRANSFORM -0.3396 -0.3278 0.8816 -0.8898 -0.1918 -0.4140 0.3048 -0.9251 -0.2265 -2.614 46.116 36.599 A 16 TYR A 26 TYR~? A 40 ASP A 159 ASP~? A 103 LEU A 161 LEU~? ULMNm 3 1lio_c01 ADENOSINE KINASE user 1 3 RMSD = 1.27 A TRANSFORM -0.4428 0.3427 -0.8285 -0.8698 0.0600 0.4897 0.2175 0.9375 0.2715 54.883 37.037 -4.902 A 316 ALA A 87 ALA.? A 317 GLY A 89 GLY.? A 318 ASP A 90 ASP.? ULMNm 3 1vzz_c01 STEROID DELTA-ISOMERASE user 1 3 RMSD = 1.31 A TRANSFORM -0.4151 -0.1539 0.8966 0.8771 0.1942 0.4394 -0.2417 0.9688 0.0544 -4.221 -10.450 14.755 B 16 TYR A 26 TYR~? B 40 ASP A 159 ASP~? B 103 LEU A 161 LEU~? ULMNm 3 1sme_c05 PLASMEPSIN II user 2 3 RMSD = 1.31 A TRANSFORM -0.5980 -0.7596 0.2558 -0.2520 -0.1248 -0.9597 0.7609 -0.6383 -0.1168 52.159 129.971 60.923 B 34 ASP A 115 ASP~? B 37 SER A 113 SER.? B 214 ASP A 92 ASP~? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 6 3 RMSD = 1.32 A TRANSFORM 0.4431 0.2641 0.8567 0.8579 -0.4023 -0.3197 0.2602 0.8766 -0.4049 -20.643 15.246 -37.341 A 465 GLY A 71 GLY~? A 501 ASP A 158 ASP~? B 367 TYR A 79 TYR.? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 9 3 RMSD = 1.33 A TRANSFORM -0.6433 -0.6824 -0.3470 0.0473 -0.4878 0.8717 -0.7641 0.5443 0.3461 63.001 31.186 77.358 A 241 ASP A 90 ASP.? A 265 GLU A 101 GLU~? A 369 ASP A 117 ASP~? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 8 3 RMSD = 1.34 A TRANSFORM -0.1515 -0.9512 -0.2690 0.4097 -0.3081 0.8586 -0.8995 0.0198 0.4364 54.932 13.641 97.741 A 241 ASP A 90 ASP.? A 265 GLU A 101 GLU~? A 369 ASP A 115 ASP~? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 6 3 RMSD = 1.36 A TRANSFORM -0.3789 0.5174 0.7673 -0.8898 0.0243 -0.4557 -0.2544 -0.8554 0.4511 13.265 86.690 -29.787 D 465 GLY A 71 GLY~? D 501 ASP A 158 ASP~? E 367 TYR A 79 TYR.? ULMNm 3 1uok_c05 OLIGO-1,6-GLUCOSIDASE user 5 3 RMSD = 1.37 A TRANSFORM -0.6160 0.2207 0.7562 -0.5816 0.5201 -0.6256 -0.5313 -0.8251 -0.1920 37.720 50.221 40.135 199 ASP A 31 ASP~? 242 GLU A 73 GLU^? 329 ASP A 158 ASP~? ULMNm 3 1mro_c00 METHYL-COENZYME M REDUCTASE user 2 3 RMSD = 1.38 A TRANSFORM 0.3781 0.5086 0.7735 0.8861 -0.4406 -0.1435 0.2679 0.7397 -0.6173 -22.378 10.627 -28.670 A 465 GLY A 69 GLY~? A 501 ASP A 158 ASP~? B 367 TYR A 79 TYR.? ULMNm 3 1sme_c04 PLASMEPSIN II user 2 3 RMSD = 1.40 A TRANSFORM -0.0398 -0.3344 0.9416 -0.3587 -0.8748 -0.3258 0.9326 -0.3507 -0.0851 42.731 107.211 12.289 A 34 ASP A 115 ASP~? A 37 SER A 113 SER.? A 214 ASP A 92 ASP~? ULMNm 3 1rne_c04 RENIN (ACTIVATED, GLYCOSYLATED, INHIuser 2 3 RMSD = 1.40 A TRANSFORM -0.7448 -0.2902 0.6009 -0.2614 0.9554 0.1374 -0.6140 -0.0548 -0.7874 25.451 -14.011 107.240 32 ASP A 115 ASP~? 35 SER A 113 SER.? 215 ASP A 92 ASP~? ULMNm 3 1lij_c01 ADENOSINE KINASE user 1 3 RMSD = 1.41 A TRANSFORM 0.3952 -0.8803 0.2625 -0.5112 -0.4482 -0.7334 0.7632 0.1556 -0.6271 152.425 71.677 -17.377 A 316 ALA A 87 ALA.? A 317 GLY A 89 GLY.? A 318 ASP A 90 ASP.? ULMNm 3 1eed_c04 ENDOTHIAPEPSIN (E.C.3.4.23.22) COMPLuser 2 3 RMSD = 1.41 A TRANSFORM -0.8337 0.5470 0.0754 -0.5519 -0.8298 -0.0822 0.0176 -0.1101 0.9938 7.842 77.482 -7.588 P 32 ASP A 115 ASP~? P 35 SER A 113 SER.? P 215 ASP A 92 ASP~? ULMNm 3 1apt_c04 ISOVALERYL (IVA)-VAL-VAL-LYSTA-O-ET user 2 3 RMSD = 1.41 A TRANSFORM -0.9291 -0.3698 -0.0003 -0.0331 0.0838 -0.9959 0.3683 -0.9253 -0.0901 60.808 33.928 43.534 E 33 ASP A 115 ASP~? E 36 SER A 113 SER.? E 213 ASP A 92 ASP~? ULMNm 3 1eag_c04 PEPTIDE INHIBITOR user 2 3 RMSD = 1.41 A TRANSFORM -0.4927 0.8642 -0.1024 -0.3778 -0.1063 0.9198 0.7839 0.4918 0.3788 30.036 13.558 -35.680 A 32 ASP A 115 ASP~? A 35 SER A 113 SER.? A 218 ASP A 92 ASP~? ULMNm 3 1mro_c01 METHYL-COENZYME M REDUCTASE user 2 3 RMSD = 1.41 A TRANSFORM -0.4412 0.6942 0.5687 -0.8572 -0.1385 -0.4961 -0.2656 -0.7063 0.6561 16.159 90.715 -38.445 D 465 GLY A 69 GLY~? D 501 ASP A 158 ASP~? E 367 TYR A 79 TYR.? ULMNm 3 2jxr_c04 LIGAND CP-081282 user 2 3 RMSD = 1.42 A TRANSFORM 0.0535 0.3728 -0.9264 0.2212 -0.9091 -0.3531 -0.9738 -0.1860 -0.1311 -6.970 97.237 76.033 A 32 ASP A 115 ASP~? A 35 SER A 113 SER.? A 215 ASP A 92 ASP~? ULMNm 3 1mpp_c04 PEPSIN (RENIN) (E.C.3.4.23.23) user 2 3 RMSD = 1.42 A TRANSFORM 0.0400 0.9840 0.1739 0.9736 0.0008 -0.2281 -0.2246 0.1784 -0.9580 -19.033 -2.410 53.188 32 ASP A 115 ASP~? 35 SER A 113 SER.? 215 ASP A 92 ASP~? ULMNm 3 1avf_c05 GASTRICSIN user 2 3 RMSD = 1.42 A TRANSFORM -0.3195 0.2551 0.9126 0.0397 0.9658 -0.2561 -0.9468 -0.0456 -0.3187 -60.712 -46.874 50.841 J 32 ASP A 115 ASP~? J 35 SER A 113 SER.? J 217 ASP A 92 ASP~? ULMNm 3 2apr_c04 ACID PROTEINASE (RHIZOPUSPEPSIN) (E.user 2 3 RMSD = 1.43 A TRANSFORM -0.0603 -0.9883 -0.1402 0.5929 -0.1484 0.7915 -0.8030 -0.0354 0.5949 81.035 32.166 110.856 35 ASP A 115 ASP~? 38 SER A 113 SER.? 218 ASP A 92 ASP~? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.44 A TRANSFORM 0.6850 0.6899 -0.2342 -0.1176 -0.2126 -0.9700 -0.7190 0.6920 -0.0645 -23.337 16.401 -44.868 B 250 ALA A 87 ALA.? B 251 GLY A 89 GLY.? B 252 ASP A 90 ASP.? ULMNm 3 1cms_c04 CHYMOSIN B (FORMERLY KNOWN AS RENNINuser 2 3 RMSD = 1.45 A TRANSFORM -0.0427 0.6241 0.7802 -0.3542 0.7207 -0.5959 -0.9342 -0.3018 0.1902 -22.406 22.293 56.888 34 ASP A 115 ASP~? 37 SER A 113 SER.? 216 ASP A 92 ASP~? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.46 A TRANSFORM 0.4960 0.1167 0.8605 -0.6198 -0.6465 0.4449 0.6082 -0.7540 -0.2483 -18.839 13.669 7.458 A 250 ALA A 87 ALA.? A 251 GLY A 89 GLY.? A 252 ASP A 90 ASP.? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 6 3 RMSD = 1.46 A TRANSFORM 0.0645 -0.1704 -0.9833 -0.4353 0.8818 -0.1814 0.8980 0.4397 -0.0173 62.194 22.346 -28.209 A 229 ALA A 52 ALA^? A 257 ALA A 50 ALA^? A 328 ASP A 14 ASP^? ULMNm 3 1bbs_c07 RENIN user 2 3 RMSD = 1.48 A TRANSFORM 0.2266 -0.8929 -0.3892 -0.4488 -0.4503 0.7719 -0.8644 -0.0002 -0.5028 96.793 54.139 110.112 32 ASP A 115 ASP~? 35 SER A 113 SER.? 215 ASP A 92 ASP~? ULMNm 3 1bbs_c06 RENIN user 2 3 RMSD = 1.48 A TRANSFORM 0.2266 -0.8929 -0.3892 -0.4488 -0.4503 0.7719 -0.8644 -0.0002 -0.5028 96.793 54.139 110.112 32 ASP A 115 ASP~? 35 SER A 113 SER.? 215 ASP A 92 ASP~? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 6 3 RMSD = 1.48 A TRANSFORM 0.1637 0.4502 0.8778 0.9833 -0.0031 -0.1818 -0.0791 0.8929 -0.4433 -30.255 10.780 63.072 A 241 ASP A 90 ASP.? A 265 GLU A 24 GLU~? A 369 ASP A 117 ASP~? ULMNm 3 1avf_c04 GASTRICSIN user 2 3 RMSD = 1.48 A TRANSFORM 0.8871 0.1079 0.4487 -0.0258 -0.9592 0.2815 0.4608 -0.2613 -0.8482 -44.277 30.808 68.497 A 32 ASP A 115 ASP~? A 35 SER A 113 SER.? A 217 ASP A 92 ASP~? ULMNm 3 1pym_c00 PHOSPHOENOLPYRUVATE MUTASE user 1 3 RMSD = 1.49 A TRANSFORM -0.5332 0.8460 0.0057 -0.7832 -0.4910 -0.3813 -0.3198 -0.2078 0.9244 24.686 115.441 83.448 A 48 LEU A 97 LEU~? A 58 ASP A 98 ASP~? A 120 LYS A 49 LYS^? ULMNm 3 1pfq_c02 DIPEPTIDYL PEPTIDASE IV SOLUBLE FORMuser 1 3 RMSD = 1.50 A TRANSFORM -0.9239 0.3718 0.0905 -0.3735 -0.8252 -0.4237 -0.0828 -0.4253 0.9013 -2.485 26.507 25.430 A 630 SER A 3 SER.? A 709 ASP A 107 ASP.? A 740 HIS A 5 HIS.?