*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ TRANSFORM -0.0378 0.9639 0.2635 0.6303 0.2276 -0.7422 -0.7754 0.1380 -0.6162 52.130 -58.057 -197.581 Match found in 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B Pattern 1xny_c01 Query structure RMSD= 1.04 A No. of residues = 3 ------- ------- --------------- A 420 ALA matches A 72 ALA B 182 GLY matches A 40 GLY B 183 GLY matches A 109 GLY TRANSFORM 0.9429 0.0914 -0.3203 0.1882 0.6471 0.7388 0.2747 -0.7569 0.5929 94.241 -68.911 -140.604 Match found in 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B Pattern 1xny_c01 Query structure RMSD= 1.04 A No. of residues = 3 ------- ------- --------------- A 420 ALA matches B 72 ALA B 182 GLY matches B 40 GLY B 183 GLY matches B 109 GLY TRANSFORM 0.3761 -0.7347 -0.5646 -0.2877 0.4866 -0.8249 0.8808 0.4726 -0.0284 16.059 31.854 11.732 Match found in 1lcb_c00 THYMIDYLATE SYNTHASE Pattern 1lcb_c00 Query structure RMSD= 1.07 A No. of residues = 3 ------- ------- --------------- 198 CYH matches A 65 CYH 229 ASN matches B 66 ASN 232 SER matches B 29 SER TRANSFORM -0.7742 0.2693 0.5728 0.5364 -0.2014 0.8196 0.3361 0.9418 0.0115 -30.356 81.369 -13.654 Match found in 1lcb_c00 THYMIDYLATE SYNTHASE Pattern 1lcb_c00 Query structure RMSD= 1.10 A No. of residues = 3 ------- ------- --------------- 198 CYH matches B 65 CYH 229 ASN matches A 66 ASN 232 SER matches A 29 SER TRANSFORM 0.8655 0.5010 0.0005 -0.3958 0.6843 -0.6124 -0.3072 0.5298 0.7905 60.850 -3.653 -13.828 Match found in 1dj1_c00 CYTOCHROME C PEROXIDASE Pattern 1dj1_c00 Query structure RMSD= 1.12 A No. of residues = 3 ------- ------- --------------- A 48 ALA matches A 24 ALA A 52 HIS matches B 60 HIS A 191 TRP matches A 86 TRP TRANSFORM 0.9727 0.1443 0.1818 0.2308 -0.5169 -0.8244 -0.0250 0.8438 -0.5361 138.467 13.213 24.406 Match found in 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARB Pattern 1q6l_c05 Query structure RMSD= 1.14 A No. of residues = 3 ------- ------- --------------- A 67 ASP matches A 113 ASP A 68 ALA matches A 116 ALA A 72 LEU matches A 120 LEU TRANSFORM -0.4555 0.6076 -0.6506 0.8558 0.0975 -0.5080 -0.2453 -0.7882 -0.5644 -28.310 66.921 -40.968 Match found in 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRA Pattern 2tdt_c00 Query structure RMSD= 1.15 A No. of residues = 3 ------- ------- --------------- 141 ASP matches A 108 ASP 166 GLY matches B 90 GLY 169 GLU matches B 137 GLU TRANSFORM 0.5500 -0.7394 0.3884 -0.7256 -0.1927 0.6605 -0.4135 -0.6451 -0.6425 81.973 -154.771 -177.714 Match found in 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B Pattern 1xny_c01 Query structure RMSD= 1.15 A No. of residues = 3 ------- ------- --------------- A 420 ALA matches A 78 ALA B 182 GLY matches A 109 GLY B 183 GLY matches A 40 GLY TRANSFORM -0.8219 0.4519 -0.3469 -0.1348 -0.7459 -0.6523 -0.5535 -0.4893 0.6739 13.115 -136.213 -175.485 Match found in 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B Pattern 1xny_c01 Query structure RMSD= 1.16 A No. of residues = 3 ------- ------- --------------- A 420 ALA matches B 78 ALA B 182 GLY matches B 109 GLY B 183 GLY matches B 40 GLY TRANSFORM 0.3135 -0.9467 -0.0745 0.1247 -0.0367 0.9915 -0.9414 -0.3201 0.1065 53.337 -78.423 -207.276 Match found in 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B Pattern 1xny_c01 Query structure RMSD= 1.19 A No. of residues = 3 ------- ------- --------------- A 420 ALA matches A 42 ALA B 182 GLY matches A 109 GLY B 183 GLY matches A 40 GLY TRANSFORM -0.9762 0.1681 0.1367 -0.1108 0.1549 -0.9817 -0.1862 -0.9735 -0.1326 -6.325 -101.427 -173.362 Match found in 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B Pattern 1xny_c01 Query structure RMSD= 1.21 A No. of residues = 3 ------- ------- --------------- A 420 ALA matches B 42 ALA B 182 GLY matches B 109 GLY B 183 GLY matches B 40 GLY TRANSFORM 0.9114 0.2897 -0.2924 0.2614 0.1412 0.9548 0.3179 -0.9466 0.0530 99.807 -83.718 -145.632 Match found in 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B Pattern 1xny_c01 Query structure RMSD= 1.23 A No. of residues = 3 ------- ------- --------------- A 420 ALA matches B 107 ALA B 182 GLY matches B 40 GLY B 183 GLY matches B 109 GLY TRANSFORM 0.2605 0.8508 0.4564 0.9404 -0.3306 0.0794 0.2185 0.4085 -0.8862 52.696 75.358 32.866 Match found in 1i1e_c00 BOTULINUM NEUROTOXIN TYPE B Pattern 1i1e_c00 Query structure RMSD= 1.23 A No. of residues = 3 ------- ------- --------------- A 267 GLU matches A 43 GLU A 369 ARG matches A 38 ARG A 372 TYR matches A 41 TYR TRANSFORM 0.2561 -0.3080 -0.9163 0.9556 0.2235 0.1920 0.1457 -0.9248 0.3515 60.323 83.293 25.843 Match found in 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARB Pattern 1q6l_c05 Query structure RMSD= 1.25 A No. of residues = 3 ------- ------- --------------- A 67 ASP matches A 77 ASP A 68 ALA matches A 78 ALA A 72 LEU matches A 37 LEU TRANSFORM 0.1174 0.9627 0.2439 0.1643 0.2233 -0.9608 -0.9794 0.1529 -0.1320 64.556 -99.334 -208.216 Match found in 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B Pattern 1xny_c01 Query structure RMSD= 1.25 A No. of residues = 3 ------- ------- --------------- A 420 ALA matches A 107 ALA B 182 GLY matches A 40 GLY B 183 GLY matches A 109 GLY TRANSFORM 0.4163 0.9072 0.0601 0.6920 -0.3590 0.6263 0.5898 -0.2192 -0.7772 39.947 53.255 18.550 Match found in 1dj1_c00 CYTOCHROME C PEROXIDASE Pattern 1dj1_c00 Query structure RMSD= 1.26 A No. of residues = 3 ------- ------- --------------- A 48 ALA matches B 24 ALA A 52 HIS matches A 60 HIS A 191 TRP matches B 86 TRP TRANSFORM 0.7446 0.4444 -0.4981 -0.5301 0.8471 -0.0366 0.4057 0.2913 0.8664 71.316 4.031 54.068 Match found in 1i1e_c00 BOTULINUM NEUROTOXIN TYPE B Pattern 1i1e_c00 Query structure RMSD= 1.27 A No. of residues = 3 ------- ------- --------------- A 267 GLU matches B 43 GLU A 369 ARG matches B 38 ARG A 372 TYR matches B 41 TYR TRANSFORM 0.1518 0.9820 -0.1125 -0.5539 0.1788 0.8131 0.8186 -0.0611 0.5711 99.524 -12.056 65.206 Match found in 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARB Pattern 1q6l_c05 Query structure RMSD= 1.32 A No. of residues = 3 ------- ------- --------------- A 67 ASP matches B 113 ASP A 68 ALA matches B 116 ALA A 72 LEU matches B 120 LEU TRANSFORM 0.6678 0.7443 -0.0074 0.2241 -0.1915 0.9556 0.7098 -0.6398 -0.2947 69.544 45.285 1.132 Match found in 1mro_c00 METHYL-COENZYME M REDUCTASE Pattern 1mro_c00 Query structure RMSD= 1.33 A No. of residues = 3 ------- ------- --------------- A 465 GLY matches B 90 GLY A 501 ASP matches A 130 ASP B 367 TYR matches B 8 TYR TRANSFORM 0.2750 0.5869 -0.7615 -0.6785 -0.4426 -0.5862 -0.6811 0.6779 0.2765 48.051 -3.335 -64.450 Match found in 1mro_c01 METHYL-COENZYME M REDUCTASE Pattern 1mro_c01 Query structure RMSD= 1.36 A No. of residues = 3 ------- ------- --------------- D 465 GLY matches B 90 GLY D 501 ASP matches A 130 ASP E 367 TYR matches B 8 TYR TRANSFORM 0.9733 0.2132 -0.0845 0.2203 -0.7669 0.6028 0.0637 -0.6053 -0.7934 75.366 95.561 45.230 Match found in 1lci_c00 LUCIFERASE Pattern 1lci_c00 Query structure RMSD= 1.36 A No. of residues = 3 ------- ------- --------------- 218 ARG matches B 50 ARG 245 HIS matches B 55 HIS 343 THR matches B 58 THR TRANSFORM 0.4706 -0.1609 0.8676 0.7359 0.6140 -0.2853 -0.4868 0.7727 0.4073 70.920 67.813 0.656 Match found in 1ct9_c05 ASPARAGINE SYNTHETASE B Pattern 1ct9_c05 Query structure RMSD= 1.40 A No. of residues = 3 ------- ------- --------------- B 1 ALA matches A 24 ALA B 74 ASN matches B 54 ASN B 75 GLY matches B 57 GLY TRANSFORM -0.3598 -0.1009 0.9275 0.7126 -0.6715 0.2034 0.6023 0.7341 0.3135 -25.057 106.271 168.403 Match found in 1ct9_c04 ASPARAGINE SYNTHETASE B Pattern 1ct9_c04 Query structure RMSD= 1.41 A No. of residues = 3 ------- ------- --------------- A 1 ALA matches A 24 ALA A 74 ASN matches B 54 ASN A 75 GLY matches B 57 GLY TRANSFORM 0.3968 0.6885 -0.6071 -0.7894 -0.0816 -0.6085 -0.4685 0.7206 0.5111 16.854 -12.351 90.688 Match found in 1ct9_c07 ASPARAGINE SYNTHETASE B Pattern 1ct9_c07 Query structure RMSD= 1.41 A No. of residues = 3 ------- ------- --------------- D 1 ALA matches A 24 ALA D 74 ASN matches B 54 ASN D 75 GLY matches B 57 GLY TRANSFORM -0.6295 -0.5955 0.4991 0.6060 0.0256 0.7950 -0.4863 0.8029 0.3447 18.248 89.625 -0.758 Match found in 4dqk_o00 BIFUNCTIONAL P-450/NADPH-P450 REDUCT Pattern 4dqk_o00 Query structure RMSD= 1.44 A No. of residues = 3 ------- ------- --------------- A 966 SER matches A 143 SER A 967 ARG matches A 85 ARG A 975 TYR matches A 141 TYR TRANSFORM -0.4045 0.7357 -0.5433 -0.6827 0.1524 0.7146 0.6085 0.6599 0.4407 -6.886 -28.447 82.359 Match found in 1ct9_c06 ASPARAGINE SYNTHETASE B Pattern 1ct9_c06 Query structure RMSD= 1.44 A No. of residues = 3 ------- ------- --------------- C 1 ALA matches A 24 ALA C 74 ASN matches B 54 ASN C 75 GLY matches B 57 GLY TRANSFORM 0.3055 -0.8943 -0.3268 -0.4256 0.1788 -0.8871 0.8518 0.4101 -0.3260 51.959 10.922 24.213 Match found in 1vom_c00 MYOSIN Pattern 1vom_c00 Query structure RMSD= 1.46 A No. of residues = 3 ------- ------- --------------- 233 ASN matches A 54 ASN 457 GLY matches B 73 GLY 459 GLU matches B 69 GLU TRANSFORM 0.4156 0.0019 -0.9095 -0.0648 -0.9974 -0.0317 -0.9072 0.0722 -0.4144 50.883 0.427 -2.918 Match found in 1aql_c02 BILE-SALT ACTIVATED LIPASE Pattern 1aql_c02 Query structure RMSD= 1.47 A No. of residues = 3 ------- ------- --------------- A 194 SER matches B 2 SER A 292 ASP matches B 102 ASP A 322 HIS matches B 84 HIS TRANSFORM 0.8174 0.5527 -0.1623 0.2517 -0.0892 0.9637 0.5181 -0.8286 -0.2121 92.969 61.965 92.602 Match found in 5cox_c07 CYCLOOXYGENASE-2 Pattern 5cox_c07 Query structure RMSD= 1.47 A No. of residues = 3 ------- ------- --------------- D 203 GLN matches A 144 GLN D 207 HIS matches A 84 HIS D 385 TYR matches A 141 TYR TRANSFORM 0.9101 -0.2616 0.3213 -0.2881 0.1577 0.9445 -0.2978 -0.9522 0.0681 72.132 12.014 -55.316 Match found in 1mro_c00 METHYL-COENZYME M REDUCTASE Pattern 1mro_c00 Query structure RMSD= 1.48 A No. of residues = 3 ------- ------- --------------- A 465 GLY matches A 73 GLY A 501 ASP matches A 102 ASP B 367 TYR matches B 127 TYR TRANSFORM 0.9717 -0.2308 0.0502 0.0469 -0.0199 -0.9987 0.2315 0.9728 -0.0085 61.461 -6.372 52.173 Match found in 3s57_d00 OXIDOREDUCTASE/DNA Pattern 3s57_d00 Query structure RMSD= 1.49 A No. of residues = 3 ------- ------- --------------- A 101 VAL matches A 93 VAL A 102 PHE matches A 134 PHE A 169 CYH matches B 65 CYH TRANSFORM 0.7821 0.5886 -0.2046 -0.5556 0.8073 0.1989 0.2823 -0.0419 0.9584 101.769 -3.795 28.020 Match found in 5cox_c04 CYCLOOXYGENASE-2 Pattern 5cox_c04 Query structure RMSD= 1.49 A No. of residues = 3 ------- ------- --------------- A 203 GLN matches A 144 GLN A 207 HIS matches A 84 HIS A 385 TYR matches A 141 TYR TRANSFORM 0.7810 -0.3287 -0.5311 -0.5199 0.1291 -0.8444 0.3461 0.9356 -0.0700 73.079 16.978 -7.344 Match found in 1mro_c01 METHYL-COENZYME M REDUCTASE Pattern 1mro_c01 Query structure RMSD= 1.49 A No. of residues = 3 ------- ------- --------------- D 465 GLY matches A 73 GLY D 501 ASP matches A 102 ASP E 367 TYR matches B 127 TYR TRANSFORM -0.7935 -0.5742 0.2018 -0.2693 0.0339 -0.9625 0.5458 -0.8180 -0.1816 -7.190 4.022 34.610 Match found in 5cox_c05 CYCLOOXYGENASE-2 Pattern 5cox_c05 Query structure RMSD= 1.49 A No. of residues = 3 ------- ------- --------------- B 203 GLN matches A 144 GLN B 207 HIS matches A 84 HIS B 385 TYR matches A 141 TYR TRANSFORM -0.7463 -0.6283 0.2196 0.6030 -0.7780 -0.1764 0.2817 0.0008 0.9595 -15.347 74.792 88.179 Match found in 5cox_c06 CYCLOOXYGENASE-2 Pattern 5cox_c06 Query structure RMSD= 1.49 A No. of residues = 3 ------- ------- --------------- C 203 GLN matches A 144 GLN C 207 HIS matches A 84 HIS C 385 TYR matches A 141 TYR