*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 3 3 RMSD = 0.64 A TRANSFORM -0.2032 -0.7430 -0.6378 0.7382 0.3117 -0.5983 -0.6433 0.5923 -0.4851 74.444 -98.593 -125.010 A 420 ALA A 0 ALA.? B 182 GLY A 66 GLY.? B 183 GLY A 65 GLY.? ULMNm 3 1kim_c00 THYMIDINE KINASE user 5 3 RMSD = 0.65 A TRANSFORM -0.6831 -0.5925 -0.4269 -0.6374 0.1984 0.7446 0.3565 -0.7808 0.5132 53.659 88.741 37.953 A 83 GLU B 13 GLU.? A 163 ARG B 15 ARG^? A 222 ARG B 81 ARG~? ULMNm 3 2bhg_c02 FOOT-AND-MOUTH DISEASE VIRUS 3C PROTuser 5 3 RMSD = 1.02 A TRANSFORM 0.7895 -0.6137 0.0061 0.6089 0.7844 0.1181 0.0772 0.0895 -0.9930 13.560 -18.358 16.680 B 46 HIS B 22 HIS.? B 163 ALA B 41 ALA~? B 182 SER B 38 SER~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 1 3 RMSD = 1.12 A TRANSFORM -0.6896 0.6853 0.2342 -0.5473 -0.2813 -0.7883 0.4743 0.6718 -0.5690 2.412 39.773 -7.401 141 ASP A 31 ASP~? 166 GLY B 21 GLY.? 169 GLU B 64 GLU.? ULMNm 3 1i19_c00 CHOLESTEROL OXIDASE user 1 3 RMSD = 1.14 A TRANSFORM 0.2687 0.2231 0.9370 -0.4247 0.9006 -0.0926 0.8645 0.3731 -0.3368 9.345 59.355 45.448 A 311 GLU B 7 GLU^? A 475 GLU B 113 GLU.? A 477 ARG B 15 ARG^? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 2 3 RMSD = 1.14 A TRANSFORM 0.3494 0.7657 -0.5400 -0.2154 0.6266 0.7490 -0.9119 0.1454 -0.3838 35.932 -132.913 -115.518 A 420 ALA A 0 ALA.? B 182 GLY A 66 GLY.? B 183 GLY A 21 GLY.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 3 3 RMSD = 1.15 A TRANSFORM 0.8367 -0.5061 -0.2092 -0.5163 -0.8564 0.0065 0.1824 -0.1025 0.9779 0.994 32.266 -21.921 141 ASP B 31 ASP~? 166 GLY A 21 GLY.? 169 GLU A 64 GLU.? ULMNm 3 2qv4_p00 PANCREATIC ALPHA-AMYLASE user 4 3 RMSD = 1.19 A TRANSFORM 0.1896 -0.6661 0.7214 -0.7870 -0.5424 -0.2940 -0.5871 0.5120 0.6270 16.377 110.848 2.913 A 459 ASN B 97 ASN~? A 460 GLY B 94 GLY~? A 461 ASN A 43 ASN~? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 1 3 RMSD = 1.19 A TRANSFORM 0.3323 0.9396 -0.0818 -0.3370 0.1993 0.9202 -0.8809 0.2782 -0.3829 19.697 -128.486 -117.761 A 420 ALA A 0 ALA.? B 182 GLY A 65 GLY.? B 183 GLY A 21 GLY.? ULMNm 3 1f6d_c02 UDP-N-ACETYLGLUCOSAMINE 2-EPIMERASE user 3 3 RMSD = 1.20 A TRANSFORM -0.9574 0.2784 0.0771 -0.2888 -0.9306 -0.2250 -0.0091 0.2377 -0.9713 85.871 82.118 87.356 C 95 ASP B 31 ASP~? C 117 GLU B 24 GLU.? C 131 GLU B 27 GLU.? ULMNm 3 1j53_c00 DNA POLYMERASE III, EPSILON CHAIN user 3 3 RMSD = 1.23 A TRANSFORM 0.7975 -0.1435 0.5859 0.3851 0.8688 -0.3114 0.4644 -0.4740 -0.7481 -35.138 20.065 -0.916 A 14 GLU B 62 GLU.? A 61 GLU B 59 GLU^? A 162 HIS B 22 HIS.? ULMNm 3 1qrz_c20 PLASMINOGEN user 1 3 RMSD = 1.25 A TRANSFORM 0.3396 -0.5155 -0.7867 0.4451 0.8249 -0.3484 -0.8286 0.2319 -0.5096 2.811 -7.743 47.409 A 603 HIS A 22 HIS.? A 646 ASP A 31 ASP~? A 739 GLY A 94 GLY~? ULMNm 3 2qv4_p00 PANCREATIC ALPHA-AMYLASE user 2 3 RMSD = 1.25 A TRANSFORM -0.2036 0.6361 -0.7442 -0.4507 -0.7357 -0.5056 0.8691 -0.2325 -0.4365 34.499 111.836 8.578 A 459 ASN A 97 ASN~? A 460 GLY A 94 GLY~? A 461 ASN B 43 ASN~? ULMNm 3 1i19_c01 CHOLESTEROL OXIDASE user 1 3 RMSD = 1.25 A TRANSFORM -0.3065 -0.2303 -0.9236 0.6411 0.6673 -0.3791 -0.7036 0.7083 0.0568 47.194 21.410 102.082 B 311 GLU B 7 GLU^? B 475 GLU B 113 GLU.? B 477 ARG B 15 ARG^? ULMNm 3 1kim_c00 THYMIDINE KINASE user 6 3 RMSD = 1.26 A TRANSFORM 0.7566 0.4502 0.4742 0.3759 0.2939 -0.8788 0.5350 -0.8432 -0.0532 46.723 81.243 36.307 A 83 GLU B 13 GLU.? A 163 ARG B 81 ARG~? A 222 ARG B 15 ARG^? ULMNm 3 1lio_c01 ADENOSINE KINASE user 1 3 RMSD = 1.31 A TRANSFORM -0.4560 -0.7264 -0.5141 0.2336 0.4597 -0.8568 -0.8587 0.5108 0.0399 34.926 44.695 30.582 A 316 ALA A 9 ALA.? A 317 GLY A 12 GLY.? A 318 ASP A 11 ASP.? ULMNm 3 1ct9_c07 ASPARAGINE SYNTHETASE B user 1 3 RMSD = 1.32 A TRANSFORM 0.7999 -0.4097 -0.4385 -0.3801 0.2196 -0.8985 -0.4644 -0.8854 -0.0199 -18.884 46.984 132.033 D 1 ALA B 96 ALA~? D 74 ASN B 97 ASN~? D 75 GLY B 94 GLY~? ULMNm 3 1qrz_c15 PLASMINOGEN user 1 3 RMSD = 1.32 A TRANSFORM 0.9118 -0.4107 -0.0073 -0.4102 -0.9097 -0.0645 -0.0198 -0.0618 0.9979 -51.968 13.006 26.377 D 603 HIS A 22 HIS.? D 646 ASP A 31 ASP~? D 741 SER A 38 SER~? ULMNm 3 1ct9_c05 ASPARAGINE SYNTHETASE B user 1 3 RMSD = 1.33 A TRANSFORM -0.0674 -0.1006 0.9926 0.9026 -0.4300 0.0177 -0.4251 -0.8972 -0.1198 38.748 7.113 42.837 B 1 ALA B 96 ALA~? B 74 ASN B 97 ASN~? B 75 GLY B 94 GLY~? ULMNm 3 1lio_c01 ADENOSINE KINASE user 2 3 RMSD = 1.34 A TRANSFORM -0.7326 -0.6135 -0.2947 -0.0402 -0.3933 0.9185 0.6794 -0.6848 -0.2635 32.295 24.579 26.697 A 316 ALA B 9 ALA.? A 317 GLY B 12 GLY.? A 318 ASP B 11 ASP.? ULMNm 3 2bhg_c02 FOOT-AND-MOUTH DISEASE VIRUS 3C PROTuser 2 3 RMSD = 1.35 A TRANSFORM -0.6967 0.7040 0.1375 0.5965 0.4621 0.6563 -0.3985 -0.5393 0.7419 18.202 -24.599 -0.116 B 46 HIS A 22 HIS.? B 163 ALA A 41 ALA~? B 182 SER A 38 SER~? ULMNm 3 1qrz_c12 PLASMINOGEN user 1 3 RMSD = 1.35 A TRANSFORM 0.2957 -0.0917 -0.9509 0.3517 0.9359 0.0191 -0.8882 0.3400 -0.3090 -0.748 -17.978 41.707 A 603 HIS A 22 HIS.? A 646 ASP A 31 ASP~? A 741 SER A 38 SER~? ULMNm 3 1lij_c01 ADENOSINE KINASE user 1 3 RMSD = 1.36 A TRANSFORM 0.8212 0.0354 0.5696 0.3197 -0.8553 -0.4077 -0.4727 -0.5169 0.7137 140.238 32.038 -24.699 A 316 ALA A 9 ALA.? A 317 GLY A 12 GLY.? A 318 ASP A 11 ASP.? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.38 A TRANSFORM 0.0287 0.8885 0.4580 0.8530 0.2171 -0.4745 0.5210 -0.4044 0.7517 15.521 3.474 -14.709 A 250 ALA A 9 ALA.? A 251 GLY A 12 GLY.? A 252 ASP A 11 ASP.? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.40 A TRANSFORM -0.8473 -0.0042 0.5311 -0.0399 -0.9966 -0.0716 -0.5296 0.0819 -0.8443 -4.918 -20.063 -35.107 B 250 ALA A 9 ALA.? B 251 GLY A 12 GLY.? B 252 ASP A 11 ASP.? ULMNm 3 1eyi_c00 FRUCTOSE-1,6-BISPHOSPHATASE user 1 3 RMSD = 1.41 A TRANSFORM -0.3995 0.0347 -0.9161 0.3759 0.9176 -0.1292 -0.8361 0.3960 0.3796 43.908 -12.866 24.012 A 68 ASP A 31 ASP~? A 74 ASP B 31 ASP~? A 98 GLU B 27 GLU.? ULMNm 3 1lij_c01 ADENOSINE KINASE user 2 3 RMSD = 1.41 A TRANSFORM 0.0671 0.9903 0.1219 -0.9977 0.0654 0.0172 -0.0090 0.1228 -0.9924 150.278 32.436 -6.662 A 316 ALA B 9 ALA.? A 317 GLY B 12 GLY.? A 318 ASP B 11 ASP.? ULMNm 3 1qrz_c14 PLASMINOGEN user 1 3 RMSD = 1.41 A TRANSFORM 0.9396 -0.3423 0.0020 -0.3417 -0.9380 -0.0579 -0.0217 -0.0537 0.9983 0.395 12.500 -11.967 C 603 HIS A 22 HIS.? C 646 ASP A 31 ASP~? C 741 SER A 38 SER~? ULMNm 3 1amo_c01 NADPH-CYTOCHROME P450 REDUCTASE user 1 3 RMSD = 1.44 A TRANSFORM 0.6255 -0.4938 0.6041 0.6217 0.7832 -0.0035 0.4714 -0.3778 -0.7969 36.481 -3.499 44.374 B 457 SER A 25 SER.? B 630 CYH A 34 CYH~? B 675 ASP A 31 ASP~? ULMNm 3 1amo_c00 NADPH-CYTOCHROME P450 REDUCTASE user 1 3 RMSD = 1.44 A TRANSFORM -0.5934 0.4626 -0.6587 -0.6694 -0.7380 0.0848 0.4469 -0.4913 -0.7476 16.570 27.045 46.684 A 457 SER A 25 SER.? A 630 CYH A 34 CYH~? A 675 ASP A 31 ASP~? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 2 3 RMSD = 1.44 A TRANSFORM 0.9579 0.2335 0.1674 -0.2429 0.3471 0.9058 -0.1534 0.9083 -0.3892 15.687 -7.424 2.825 A 250 ALA B 9 ALA.? A 251 GLY B 12 GLY.? A 252 ASP B 11 ASP.? ULMNm 3 2qv4_p00 PANCREATIC ALPHA-AMYLASE user 1 3 RMSD = 1.45 A TRANSFORM 0.5809 0.2413 -0.7774 0.0779 0.9342 0.3482 -0.8103 0.2629 -0.5238 16.392 81.943 17.578 A 459 ASN A 43 ASN~? A 460 GLY B 94 GLY~? A 461 ASN B 97 ASN~? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 2 3 RMSD = 1.45 A TRANSFORM 0.4494 -0.3254 -0.8320 -0.8785 0.0080 -0.4777 -0.1621 -0.9455 0.2823 5.038 -12.103 -51.347 B 250 ALA B 9 ALA.? B 251 GLY B 12 GLY.? B 252 ASP B 11 ASP.? ULMNm 3 1pow_c03 PYRUVATE OXIDASE (E.C.1.2.3.3) (WILDuser 1 3 RMSD = 1.46 A TRANSFORM -0.0540 -0.9699 0.2374 -0.6960 -0.1340 -0.7054 -0.7160 0.2033 0.6678 -32.378 108.110 0.575 B 264 ARG A 8 ARG^? B 479 PHE A 92 PHE~? B 483 GLU A 89 GLU~? ULMNm 3 1pow_c02 PYRUVATE OXIDASE (E.C.1.2.3.3) (WILDuser 1 3 RMSD = 1.47 A TRANSFORM 0.0787 0.9710 -0.2258 0.9959 -0.0866 -0.0257 0.0445 0.2229 0.9738 22.815 56.931 -21.955 A 264 ARG A 8 ARG^? A 479 PHE A 92 PHE~? A 483 GLU A 89 GLU~? ULMNm 3 1pnl_c00 PENICILLIN AMIDOHYDROLASE user 2 3 RMSD = 1.48 A TRANSFORM 0.9016 0.3980 0.1691 0.3704 -0.5090 -0.7770 0.2232 -0.7632 0.6064 -21.090 38.459 37.482 B 1 SER B -2 SER.? B 69 ALA B 0 ALA.? B 241 ASN B -1 ASN.?