*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 2tmd_c01 TRIMETHYLAMINE DEHYDROGENASE user 1 3 RMSD = 0.80 A TRANSFORM 0.7760 0.4436 0.4484 0.3236 -0.8902 0.3207 -0.5414 0.1038 0.8343 7.222 -13.362 52.396 B 169 TYR A 12 TYR~? B 172 HIS A 104 HIS^? B 267 ASP A 118 ASP^? ULMNm 3 2tmd_c00 TRIMETHYLAMINE DEHYDROGENASE user 1 3 RMSD = 0.80 A TRANSFORM -0.7519 -0.5984 -0.2766 -0.0675 -0.3476 0.9352 0.6558 -0.7218 -0.2210 62.502 18.376 -27.143 A 169 TYR A 12 TYR~? A 172 HIS A 104 HIS^? A 267 ASP A 118 ASP^? ULMNm 3 1vzz_c00 STEROID DELTA-ISOMERASE user 2 3 RMSD = 1.02 A TRANSFORM 0.3254 -0.9188 -0.2236 -0.4325 0.0656 -0.8992 -0.8408 -0.3893 0.3761 -0.727 40.547 46.697 A 16 TYR A 12 TYR~? A 40 ASP A 118 ASP^? A 103 LEU A 70 LEU^? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 1 3 RMSD = 1.09 A TRANSFORM -0.3441 -0.4759 0.8094 -0.8791 -0.1394 -0.4557 -0.3297 0.8684 0.3704 71.787 49.372 15.959 A 67 ASP A 30 ASP^? A 68 ALA A 28 ALA^? A 72 LEU A 27 LEU^? ULMNm 3 1bp2_c00 PHOSPHOLIPASE A2 (E.C.3.1.1.4) (PHOSuser 2 3 RMSD = 1.12 A TRANSFORM 0.7879 0.4977 0.3627 0.6152 -0.6084 -0.5014 0.0289 -0.6182 0.7855 -12.984 -3.245 29.432 30 GLY A 43 GLY~? 48 HIS A 35 HIS^? 99 ASP A 118 ASP^? ULMNm 3 1be1_c02 GLUTAMATE MUTASE user 1 3 RMSD = 1.12 A TRANSFORM 0.8422 0.2155 -0.4941 0.4874 0.0875 0.8688 -0.2305 0.9726 0.0314 -42.918 -22.635 -2.226 14 ASP A 118 ASP^? 16 HIS A 119 HIS^? 67 GLY A 79 GLY.? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 3 3 RMSD = 1.22 A TRANSFORM -0.1033 0.8721 -0.4783 -0.0606 0.4745 0.8782 -0.9928 -0.1197 -0.0039 -5.804 0.135 49.251 141 ASP A 30 ASP^? 166 GLY A 22 GLY~? 169 GLU A 13 GLU~? ULMNm 3 1lio_c01 ADENOSINE KINASE user 2 3 RMSD = 1.29 A TRANSFORM 0.6410 -0.5397 -0.5458 -0.6580 -0.7524 -0.0287 0.3952 -0.3775 0.8375 -0.717 45.664 19.639 A 316 ALA A 71 ALA^? A 317 GLY A 86 GLY^? A 318 ASP A 73 ASP^? ULMNm 3 5cpa_c01 CARBOXYPEPTIDASE A=ALPHA= (COX) (E.Cuser 1 3 RMSD = 1.32 A TRANSFORM 0.5685 0.8158 -0.1060 -0.5538 0.2841 -0.7827 0.6084 -0.5037 -0.6133 -36.174 43.637 -30.753 71 ARG A 81 ARG^? 127 ARG A 107 ARG^? 270 GLU A 117 GLU^? ULMNm 3 1xva_c03 GLYCINE N-METHYLTRANSFERASE user 1 3 RMSD = 1.34 A TRANSFORM -0.9066 0.0786 0.4147 0.3193 0.7703 0.5520 0.2761 -0.6328 0.7235 137.943 51.116 -11.249 B 137 GLY A 86 GLY^? B 175 ARG A 88 ARG^? B 242 TYR A 12 TYR~? ULMNm 3 1qrz_c20 PLASMINOGEN user 2 3 RMSD = 1.34 A TRANSFORM 0.2633 -0.9291 0.2597 0.7512 0.3664 0.5490 0.6052 -0.0505 -0.7944 -11.550 -31.495 11.117 A 603 HIS A 49 HIS.? A 646 ASP A 52 ASP~? A 739 GLY A 45 GLY.? ULMNm 3 1lio_c01 ADENOSINE KINASE user 1 3 RMSD = 1.35 A TRANSFORM -0.3378 0.2205 0.9150 0.8734 -0.2890 0.3921 -0.3509 -0.9316 0.0950 29.852 -18.103 61.409 A 316 ALA A 14 ALA~? A 317 GLY A 22 GLY~? A 318 ASP A 19 ASP~? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 2 3 RMSD = 1.36 A TRANSFORM -0.4089 0.3013 0.8614 -0.9113 -0.0842 -0.4031 0.0489 0.9498 -0.3090 42.452 22.263 1.483 A 250 ALA A 71 ALA^? A 251 GLY A 86 GLY^? A 252 ASP A 73 ASP^? ULMNm 3 1lij_c01 ADENOSINE KINASE user 2 3 RMSD = 1.36 A TRANSFORM -0.4996 0.8504 -0.1652 0.1345 -0.1123 -0.9845 0.8558 0.5141 0.0583 171.075 15.521 -36.220 A 316 ALA A 71 ALA^? A 317 GLY A 86 GLY^? A 318 ASP A 73 ASP^? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 2 3 RMSD = 1.37 A TRANSFORM 0.8003 0.1148 0.5885 0.5860 0.0575 -0.8082 0.1266 -0.9917 0.0213 -18.110 -43.406 -60.197 B 250 ALA A 71 ALA^? B 251 GLY A 86 GLY^? B 252 ASP A 73 ASP^? ULMNm 3 1qrz_c23 PLASMINOGEN user 2 3 RMSD = 1.37 A TRANSFORM -0.5308 -0.2637 0.8054 -0.6999 -0.3994 -0.5921 -0.4778 0.8780 -0.0274 -25.936 24.230 47.003 D 603 HIS A 49 HIS.? D 646 ASP A 52 ASP~? D 739 GLY A 45 GLY.? ULMNm 3 1cbx_c01 CARBOXYPEPTIDASE A (E.C.3.4.17.1) COuser 1 3 RMSD = 1.38 A TRANSFORM 0.5919 0.7986 -0.1088 -0.5372 0.2902 -0.7920 0.6009 -0.5272 -0.6008 -37.251 42.983 -30.539 71 ARG A 81 ARG^? 127 ARG A 107 ARG^? 270 GLU A 117 GLU^? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 1 3 RMSD = 1.40 A TRANSFORM -0.1325 0.9912 -0.0028 -0.6099 -0.0793 0.7885 -0.7814 -0.1062 -0.6150 35.959 48.562 50.640 A 229 ALA A 26 ALA.? A 257 ALA A 25 ALA~? A 328 ASP A 19 ASP~? ULMNm 3 1lij_c01 ADENOSINE KINASE user 1 3 RMSD = 1.41 A TRANSFORM 0.1635 0.5496 -0.8193 0.0230 0.8281 0.5601 -0.9863 0.1104 -0.1228 143.603 5.487 40.230 A 316 ALA A 14 ALA~? A 317 GLY A 22 GLY~? A 318 ASP A 19 ASP~? ULMNm 3 1qgx_c02 3',5'-ADENOSINE BISPHOSPHATASE user 2 3 RMSD = 1.42 A TRANSFORM -0.7087 0.6976 -0.1050 0.3695 0.2403 -0.8976 0.6010 0.6750 0.4281 38.044 1.148 -45.549 A 49 ASP A 73 ASP^? A 147 THR A 87 THR^? A 294 ASP A 118 ASP^? ULMNm 3 1aj8_c01 CITRATE SYNTHASE user 1 3 RMSD = 1.43 A TRANSFORM 0.5307 -0.8476 0.0032 0.8457 0.5292 -0.0685 -0.0563 -0.0391 -0.9976 12.753 -2.681 92.518 B 223 HIS A 35 HIS^? B 262 HIS A 119 HIS^? B 312 ASP A 37 ASP~? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.44 A TRANSFORM 0.1756 -0.6176 -0.7666 0.9113 0.3966 -0.1107 -0.3724 0.6792 -0.6325 31.929 -57.501 16.082 A 250 ALA A 14 ALA~? A 251 GLY A 22 GLY~? A 252 ASP A 19 ASP~? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.44 A TRANSFORM -0.8413 -0.5394 -0.0360 -0.4773 0.7098 0.5181 0.2539 -0.4530 0.8546 57.083 -11.999 -67.126 B 250 ALA A 14 ALA~? B 251 GLY A 22 GLY~? B 252 ASP A 19 ASP~? ULMNm 3 1mpy_c01 CATECHOL 2,3-DIOXYGENASE user 2 3 RMSD = 1.45 A TRANSFORM 0.5838 -0.8105 0.0477 0.8028 0.5675 -0.1832 -0.1214 -0.1452 -0.9819 40.735 -1.811 -0.903 B 199 HIS A 35 HIS^? B 246 HIS A 104 HIS^? B 255 TYR A 12 TYR~? ULMNm 3 1mpy_c03 CATECHOL 2,3-DIOXYGENASE user 2 3 RMSD = 1.45 A TRANSFORM 0.1598 -0.9764 0.1455 -0.9777 -0.1362 0.1596 0.1360 0.1677 0.9764 51.156 41.271 -8.257 D 199 HIS A 35 HIS^? D 246 HIS A 104 HIS^? D 255 TYR A 12 TYR~? ULMNm 3 1al6_c00 CITRATE SYNTHASE user 1 3 RMSD = 1.46 A TRANSFORM -0.2083 0.2322 -0.9501 -0.6662 0.6775 0.3117 -0.7161 -0.6979 -0.0136 15.572 14.330 31.107 274 HIS A 35 HIS^? 320 HIS A 119 HIS^? 375 ASP A 37 ASP~? ULMNm 3 2aat_c01 ASPARTATE AMINOTRANSFERASE (E.C.2.6.user 1 3 RMSD = 1.46 A TRANSFORM -0.0239 -0.8693 0.4937 -0.9613 0.1555 0.2272 0.2743 0.4692 0.8394 133.189 76.607 12.754 142 TRP A 106 TRP^? 223 ASP A 118 ASP^? 258 ALA A 71 ALA^? ULMNm 3 1b01_d00 GENE REGULATION/DNA user 1 3 RMSD = 1.46 A TRANSFORM 0.5643 -0.7350 0.3759 0.7624 0.6386 0.1043 0.3167 -0.2278 -0.9208 21.304 -26.349 79.016 B 4 ARG A 81 ARG^? B 6 THR A 115 THR^? B 8 THR A 34 THR^? ULMNm 3 1aj8_c00 CITRATE SYNTHASE user 1 3 RMSD = 1.47 A TRANSFORM 0.6262 -0.5342 -0.5679 -0.6693 -0.7419 -0.0402 0.3999 -0.4053 0.8221 12.138 63.993 60.293 A 223 HIS A 35 HIS^? A 262 HIS A 119 HIS^? A 312 ASP A 37 ASP~? ULMNm 3 1qrz_c22 PLASMINOGEN user 2 3 RMSD = 1.47 A TRANSFORM -0.4998 -0.2288 0.8354 -0.7411 -0.3862 -0.5492 -0.4483 0.8936 -0.0234 26.385 25.256 7.416 C 603 HIS A 49 HIS.? C 646 ASP A 52 ASP~? C 739 GLY A 45 GLY.? ULMNm 3 1mpy_c00 CATECHOL 2,3-DIOXYGENASE user 2 3 RMSD = 1.49 A TRANSFORM -0.1563 0.9840 -0.0854 0.9735 0.1681 0.1553 -0.1671 0.0588 0.9842 90.992 -13.388 -0.774 A 199 HIS A 35 HIS^? A 246 HIS A 104 HIS^? A 255 TYR A 12 TYR~? ULMNm 3 1qrz_c22 PLASMINOGEN user 1 3 RMSD = 1.49 A TRANSFORM -0.4234 0.0151 0.9058 -0.8741 -0.2695 -0.4040 -0.2380 0.9629 -0.1273 17.853 27.105 -1.305 C 603 HIS A 49 HIS.? C 646 ASP A 52 ASP~? C 739 GLY A 43 GLY~?