*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1xny_c00 PROPIONYL-COA CARBOXYLASE COMPLEX B user 3 3 RMSD = 0.82 A TRANSFORM 0.9782 0.2066 0.0204 0.1858 -0.8276 -0.5296 0.0925 -0.5219 0.8480 11.365 -57.297 -129.437 A 183 GLY A 64 GLY~? B 419 GLY A 60 GLY~? B 420 ALA A 59 ALA~? ULMNm 3 2z3x_d00 DNA BINDING PROTEIN/DNA user 1 3 RMSD = 0.90 A TRANSFORM 0.6811 0.7125 0.1687 -0.1093 0.3268 -0.9387 0.7240 -0.6209 -0.3005 -47.923 52.638 71.396 B 34 SER A 23 SER~? B 37 ASN A 24 ASN~? B 45 THR A 34 THR~? ULMNm 3 1xny_c00 PROPIONYL-COA CARBOXYLASE COMPLEX B user 4 3 RMSD = 1.07 A TRANSFORM 0.7178 -0.6058 -0.3431 -0.6941 -0.6613 -0.2845 0.0545 -0.4423 0.8952 26.609 -49.458 -129.646 A 183 GLY A 64 GLY~? B 419 GLY A 61 GLY~? B 420 ALA A 59 ALA~? ULMNm 3 1xny_c00 PROPIONYL-COA CARBOXYLASE COMPLEX B user 2 3 RMSD = 1.19 A TRANSFORM 0.4678 0.7999 0.3760 0.6452 -0.0183 -0.7638 0.6041 -0.5999 0.5246 9.447 -67.936 -133.288 A 183 GLY A 61 GLY~? B 419 GLY A 60 GLY~? B 420 ALA A 59 ALA~? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 2 3 RMSD = 1.20 A TRANSFORM 0.8079 -0.0056 -0.5893 0.3466 0.8133 0.4674 -0.4766 0.5819 -0.6590 34.499 -118.548 -125.544 A 420 ALA A 59 ALA~? B 182 GLY A 64 GLY~? B 183 GLY A 61 GLY~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 4 3 RMSD = 1.25 A TRANSFORM 0.2666 0.8720 -0.4105 0.5583 -0.4869 -0.6717 0.7857 0.0501 0.6166 -20.213 14.739 -9.114 141 ASP A 124 ASP~? 166 GLY A 64 GLY~? 169 GLU A 57 GLU~? ULMNm 3 1cns_c01 CHITINASE user 2 3 RMSD = 1.25 A TRANSFORM -0.8379 -0.1052 -0.5356 0.2440 0.8055 -0.5400 -0.4883 0.5832 0.6492 33.634 -36.518 49.686 B 67 GLU A 85 GLU~? B 89 GLU A 80 GLU~? B 120 SER A 77 SER.? ULMNm 3 2jxr_c04 LIGAND CP-081282 user 1 3 RMSD = 1.25 A TRANSFORM -0.7640 -0.6029 0.2298 0.2632 0.0339 0.9641 0.5890 -0.7971 -0.1328 22.711 46.439 41.056 A 32 ASP A 111 ASP~? A 35 SER A 107 SER~? A 215 ASP A 114 ASP~? ULMNm 3 1bvz_c08 ALPHA-AMYLASE II user 2 3 RMSD = 1.29 A TRANSFORM 0.1790 0.6410 -0.7464 0.9607 -0.2776 -0.0080 0.2123 0.7156 0.6655 10.265 47.387 40.157 A 325 ASP A 124 ASP~? A 354 GLU A 125 GLU~? A 421 ASP A 73 ASP.? ULMNm 3 1bbs_c06 RENIN user 1 3 RMSD = 1.30 A TRANSFORM 0.1647 -0.0598 0.9845 0.9607 0.2358 -0.1464 0.2234 -0.9700 -0.0963 50.949 9.103 91.443 32 ASP A 111 ASP~? 35 SER A 107 SER~? 215 ASP A 114 ASP~? ULMNm 3 1bbs_c07 RENIN user 1 3 RMSD = 1.30 A TRANSFORM 0.1647 -0.0598 0.9845 0.9607 0.2358 -0.1464 0.2234 -0.9700 -0.0963 50.949 9.103 91.443 32 ASP A 111 ASP~? 35 SER A 107 SER~? 215 ASP A 114 ASP~? ULMNm 3 1bvz_c09 ALPHA-AMYLASE II user 2 3 RMSD = 1.30 A TRANSFORM -0.1538 -0.5985 0.7862 -0.9457 -0.1414 -0.2926 -0.2863 0.7885 0.5443 45.318 22.918 32.779 B 325 ASP A 124 ASP~? B 354 GLU A 125 GLU~? B 421 ASP A 73 ASP.? ULMNm 3 2dbt_c01 CHITINASE C user 3 3 RMSD = 1.31 A TRANSFORM -0.6341 0.7122 -0.3011 0.6606 0.2964 -0.6898 0.4020 0.6363 0.6584 56.279 76.042 -5.180 B 147 GLU A 49 GLU~? B 156 GLU A 47 GLU~? B 194 ASN A 53 ASN~? ULMNm 3 2dbt_c02 CHITINASE C user 3 3 RMSD = 1.37 A TRANSFORM -0.8171 0.0170 -0.5762 -0.5290 -0.4194 0.7378 0.2291 -0.9077 -0.3517 62.416 14.618 23.468 C 147 GLU A 49 GLU~? C 156 GLU A 47 GLU~? C 194 ASN A 53 ASN~? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 1 3 RMSD = 1.38 A TRANSFORM 0.0623 -0.1442 0.9876 0.9940 -0.0801 -0.0744 -0.0899 -0.9863 -0.1384 21.693 -118.792 -120.917 A 420 ALA A 27 ALA~? B 182 GLY A 35 GLY~? B 183 GLY A 31 GLY~? ULMNm 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 1 3 RMSD = 1.38 A TRANSFORM 0.3551 0.2455 0.9020 -0.6217 0.7826 0.0318 0.6981 0.5721 -0.4306 34.706 74.437 15.937 229 ASP A 73 ASP.? 264 GLU A 13 GLU~? 328 ASP A 124 ASP~? ULMNm 3 1amy_c01 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 1 3 RMSD = 1.38 A TRANSFORM -0.5290 -0.3473 0.7743 0.5644 0.5374 0.6266 0.6337 -0.7685 0.0883 15.788 43.482 46.569 179 ASP A 124 ASP~? 214 ASP A 51 ASP~? 289 ASP A 131 ASP~? ULMNm 3 2dbt_c00 CHITINASE C user 3 3 RMSD = 1.39 A TRANSFORM 0.7952 -0.4066 0.4498 0.5465 0.1593 -0.8222 -0.2626 -0.8996 -0.3489 57.639 33.426 22.203 A 147 GLU A 49 GLU~? A 156 GLU A 47 GLU~? A 194 ASN A 53 ASN~? ULMNm 3 1mpp_c04 PEPSIN (RENIN) (E.C.3.4.23.23) user 1 3 RMSD = 1.39 A TRANSFORM -0.4751 0.1388 -0.8689 -0.7050 0.5308 0.4703 -0.5265 -0.8361 0.1543 39.429 24.954 66.372 32 ASP A 111 ASP~? 35 SER A 107 SER~? 215 ASP A 114 ASP~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 1 3 RMSD = 1.40 A TRANSFORM 0.3163 0.8288 -0.4616 -0.5445 0.5571 0.6271 -0.7769 -0.0530 -0.6274 -17.636 6.139 16.728 141 ASP A 73 ASP.? 166 GLY A 61 GLY~? 169 GLU A 56 GLU~? ULMNm 3 1b57_c01 FRUCTOSE-BISPHOSPHATE ALDOLASE II user 1 3 RMSD = 1.42 A TRANSFORM -0.8525 -0.3137 0.4182 -0.2829 -0.3960 -0.8736 -0.4396 0.8630 -0.2489 8.794 87.509 133.518 B 109 ASP A 51 ASP~? B 182 GLU A 47 GLU~? B 286 ASN A 53 ASN~? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 2 3 RMSD = 1.43 A TRANSFORM -0.5968 -0.7166 0.3610 -0.6970 0.6859 0.2091 0.3974 0.1268 0.9088 26.469 3.244 120.783 C 70 ALA A 95 ALA~? C 126 LEU A 96 LEU~? C 158 GLU A 106 GLU~? ULMNm 3 1rne_c04 RENIN (ACTIVATED, GLYCOSYLATED, INHIuser 1 3 RMSD = 1.44 A TRANSFORM 0.9443 -0.0923 -0.3160 -0.3258 -0.1244 -0.9372 -0.0472 -0.9879 0.1475 -16.351 36.372 93.953 32 ASP A 111 ASP~? 35 SER A 107 SER~? 215 ASP A 114 ASP~? ULMNm 3 2apr_c04 ACID PROTEINASE (RHIZOPUSPEPSIN) (E.user 1 3 RMSD = 1.44 A TRANSFORM 0.5134 -0.1200 0.8497 0.1918 0.9812 0.0226 0.8364 -0.1514 -0.5268 21.158 32.016 82.746 35 ASP A 111 ASP~? 38 SER A 107 SER~? 218 ASP A 114 ASP~? ULMNm 3 1eag_c04 PEPTIDE INHIBITOR user 1 3 RMSD = 1.46 A TRANSFORM -0.2626 -0.4510 -0.8530 0.8112 0.3754 -0.4483 -0.5224 0.8097 -0.2673 70.381 -10.197 11.350 A 32 ASP A 111 ASP~? A 35 SER A 107 SER~? A 218 ASP A 114 ASP~? ULMNm 3 1avf_c05 GASTRICSIN user 1 3 RMSD = 1.46 A TRANSFORM 0.5558 0.3795 -0.7397 -0.7428 -0.1728 -0.6468 0.3733 -0.9089 -0.1858 -60.034 15.058 27.140 J 32 ASP A 111 ASP~? J 35 SER A 107 SER~? J 217 ASP A 114 ASP~? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 2 3 RMSD = 1.47 A TRANSFORM 0.9334 -0.2231 -0.2811 -0.1588 -0.9592 0.2339 0.3218 0.1736 0.9307 -26.489 45.841 121.181 A 70 ALA A 95 ALA~? A 126 LEU A 96 LEU~? A 158 GLU A 106 GLU~? ULMNm 3 1eed_c04 ENDOTHIAPEPSIN (E.C.3.4.23.22) COMPLuser 1 3 RMSD = 1.47 A TRANSFORM 0.2227 -0.5543 -0.8020 0.7489 -0.4294 0.5048 0.6242 0.7130 -0.3194 18.508 13.712 -22.039 P 32 ASP A 111 ASP~? P 35 SER A 107 SER~? P 215 ASP A 114 ASP~? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 2 3 RMSD = 1.47 A TRANSFORM -0.2968 0.9547 0.0218 0.8911 0.2851 -0.3530 0.3432 0.0854 0.9354 -36.961 -20.634 123.609 B 70 ALA A 95 ALA~? B 126 LEU A 96 LEU~? B 158 GLU A 106 GLU~? ULMNm 3 1b57_c00 FRUCTOSE-BISPHOSPHATE ALDOLASE II user 1 3 RMSD = 1.48 A TRANSFORM -0.7085 -0.5468 -0.4461 -0.5115 -0.0378 0.8585 0.4863 -0.8364 0.2529 37.779 29.763 107.497 A 109 ASP A 51 ASP~? A 182 GLU A 47 GLU~? A 286 ASN A 53 ASN~? ULMNm 3 1apt_c04 ISOVALERYL (IVA)-VAL-VAL-LYSTA-O-ET user 1 3 RMSD = 1.49 A TRANSFORM 0.7593 -0.6490 -0.0480 -0.5941 -0.7214 0.3560 0.2657 0.2417 0.9333 14.088 45.921 -2.582 E 33 ASP A 111 ASP~? E 36 SER A 107 SER~? E 213 ASP A 114 ASP~? ULMNm 3 1am5_c04 PEPSIN user 1 3 RMSD = 1.50 A TRANSFORM -0.4132 0.1050 -0.9046 -0.7247 -0.6393 0.2569 0.5513 -0.7617 -0.3403 9.954 45.287 143.697 32 ASP A 111 ASP~? 35 SER A 107 SER~? 215 ASP A 114 ASP~?