*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 4 1pix_c01 GLUTACONYL-COA DECARBOXYLASE A SUBUNuser 2 4 RMSD = 1.24 A TRANSFORM 0.0843 0.9537 -0.2886 -0.5221 -0.2044 -0.8280 -0.8487 0.2205 0.4807 18.180 168.913 -13.815 B 151 VAL A 11 VAL.? B 194 GLY A 119 GLY.? B 417 ILE A 162 ILE.? B 457 ALA A 167 ALA~? ULMNm 4 1pix_c00 GLUTACONYL-COA DECARBOXYLASE A SUBUNuser 1 4 RMSD = 1.50 A TRANSFORM 0.4231 0.1584 -0.8921 0.3808 0.8623 0.3337 0.8222 -0.4809 0.3045 84.412 35.827 19.200 A 151 VAL A 109 VAL^? A 194 GLY A 12 GLY~? A 417 ILE A 162 ILE.? A 457 ALA A 167 ALA~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 24 3 RMSD = 0.84 A TRANSFORM 0.9003 -0.1865 -0.3934 -0.3089 0.3631 -0.8791 0.3068 0.9129 0.2693 51.769 41.814 -43.042 A 229 ALA A 251 ALA~? A 257 ALA A 253 ALA~? A 328 ASP A 225 ASP~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 19 3 RMSD = 0.85 A TRANSFORM 0.6541 0.6666 -0.3575 0.0634 0.4226 0.9041 0.7538 -0.6140 0.2341 17.600 -19.095 29.120 A 229 ALA A 226 ALA~? A 257 ALA A 227 ALA~? A 328 ASP A 110 ASP^? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 26 3 RMSD = 0.95 A TRANSFORM 0.9659 0.2540 0.0509 -0.1765 0.7891 -0.5883 -0.1896 0.5593 0.8070 19.739 14.054 -38.618 A 229 ALA A 252 ALA~? A 257 ALA A 253 ALA~? A 328 ASP A 225 ASP~? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 1 3 RMSD = 0.97 A TRANSFORM -0.6212 -0.5360 0.5717 0.7126 -0.6899 0.1275 0.3261 0.4866 0.8105 48.568 -82.119 -208.764 A 420 ALA A 102 ALA.? B 182 GLY A 174 GLY~? B 183 GLY A 176 GLY~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 16 3 RMSD = 1.00 A TRANSFORM -0.7566 -0.6350 -0.1556 -0.0953 0.3426 -0.9346 0.6468 -0.6923 -0.3198 79.801 34.517 47.888 A 229 ALA A 224 ALA~? A 257 ALA A 227 ALA~? A 328 ASP A 229 ASP~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 23 3 RMSD = 1.04 A TRANSFORM 0.4699 -0.8660 -0.1709 -0.2039 0.0819 -0.9756 0.8588 0.4933 -0.1381 78.416 56.789 -16.465 A 229 ALA A 251 ALA~? A 257 ALA A 252 ALA~? A 328 ASP A 225 ASP~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 15 3 RMSD = 1.08 A TRANSFORM -0.4106 0.6821 -0.6051 -0.6686 0.2261 0.7085 0.6200 0.6955 0.3632 25.225 -2.763 -39.911 A 229 ALA A 224 ALA~? A 257 ALA A 227 ALA~? A 328 ASP A 110 ASP^? ULMNm 3 1cwy_c00 AMYLOMALTASE user 1 3 RMSD = 1.09 A TRANSFORM 0.1592 0.6017 0.7827 -0.4645 0.7452 -0.4784 -0.8711 -0.2874 0.3981 -107.803 -47.379 -3.202 A 293 ASP A 116 ASP.? A 340 GLU A 118 GLU.? A 395 ASP A 130 ASP~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 3 3 RMSD = 1.12 A TRANSFORM 0.7059 -0.7083 0.0020 0.6995 0.6976 0.1549 -0.1111 -0.1080 0.9879 7.968 -72.679 -27.821 141 ASP A 327 ASP.? 166 GLY A 379 GLY.? 169 GLU A 383 GLU.? ULMNm 3 1aql_c03 BILE-SALT ACTIVATED LIPASE user 2 3 RMSD = 1.12 A TRANSFORM 0.5080 -0.5956 0.6222 0.6124 -0.2582 -0.7472 0.6057 0.7606 0.2336 40.081 121.751 -44.705 B 194 SER A 208 SER~? B 292 ASP A 126 ASP~? B 322 HIS A 171 HIS~? ULMNm 3 1ddj_c12 PLASMINOGEN user 2 3 RMSD = 1.14 A TRANSFORM -0.3373 -0.3339 -0.8802 -0.3874 0.9014 -0.1935 0.8580 0.2757 -0.4334 68.148 16.850 3.885 A 603 HIS A 125 HIS.? A 646 ASP A 116 ASP.? A 739 GLY A 7 GLY^? ULMNm 3 4hn5_d00 TRANSCRIPTION/DNA user 2 3 RMSD = 1.17 A TRANSFORM -0.4019 -0.7516 0.5231 0.9119 -0.2767 0.3030 -0.0830 0.5989 0.7965 14.326 4.466 -10.098 B 442 LYS A 295 LYS.? B 443 VAL A 296 VAL.? B 447 ARG A 299 ARG.? ULMNm 3 1ddj_c13 PLASMINOGEN user 3 3 RMSD = 1.18 A TRANSFORM -0.2306 -0.5353 0.8126 0.9644 -0.0147 0.2640 -0.1294 0.8445 0.5197 -32.942 33.767 -87.544 B 603 HIS A 125 HIS.? B 646 ASP A 116 ASP.? B 739 GLY A 7 GLY^? ULMNm 3 1amy_c01 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 1 3 RMSD = 1.19 A TRANSFORM 0.7728 0.5845 0.2474 0.1441 0.2181 -0.9652 -0.6181 0.7815 0.0843 -32.863 96.491 -16.951 179 ASP A 116 ASP.? 214 ASP A 201 ASP~? 289 ASP A 130 ASP~? ULMNm 3 1ddj_c14 PLASMINOGEN user 3 3 RMSD = 1.19 A TRANSFORM -0.2916 -0.3807 -0.8775 -0.4440 0.8664 -0.2284 0.8472 0.3230 -0.4217 68.196 18.893 64.058 C 603 HIS A 125 HIS.? C 646 ASP A 116 ASP.? C 739 GLY A 7 GLY^? ULMNm 3 1cjy_c00 CYTOSOLIC PHOSPHOLIPASE A2 user 3 3 RMSD = 1.19 A TRANSFORM -0.5037 -0.1378 -0.8528 0.0041 -0.9876 0.1571 -0.8639 0.0757 0.4980 82.911 34.004 47.653 A 198 GLY A 304 GLY~? A 228 SER A 250 SER~? A 549 ASP A 225 ASP~? ULMNm 3 1ni4_c01 PYRUVATE DEHYDROGENASE E1 COMPONENT:user 1 3 RMSD = 1.22 A TRANSFORM 0.6826 0.1453 -0.7162 -0.6898 0.4519 -0.5656 0.2415 0.8801 0.4087 27.383 -15.848 1.764 A 263 HIS A 107 HIS^? D 59 GLU A 238 GLU~? D 128 HIS A 125 HIS.? ULMNm 3 1t4c_c02 FORMYL-COENZYME A TRANSFERASE user 2 3 RMSD = 1.22 A TRANSFORM 0.0931 0.9150 -0.3925 -0.1447 0.4025 0.9039 0.9851 -0.0273 0.1698 15.779 -42.361 -32.009 A 261 GLY A 348 GLY.? B 17 GLN A 385 GLN.? B 140 GLU A 383 GLU.? ULMNm 3 1qgx_c02 3',5'-ADENOSINE BISPHOSPHATASE user 1 3 RMSD = 1.22 A TRANSFORM -0.7960 0.0960 -0.5977 -0.4784 -0.7047 0.5239 -0.3709 0.7029 0.6069 17.826 30.962 -80.923 A 49 ASP A 110 ASP^? A 147 THR A 112 THR.? A 294 ASP A 123 ASP.? ULMNm 3 1ni4_c00 PYRUVATE DEHYDROGENASE E1 COMPONENT:user 2 3 RMSD = 1.24 A TRANSFORM -0.4130 0.0431 0.9097 -0.1874 -0.9815 -0.0386 0.8912 -0.1864 0.4134 -27.064 70.148 80.473 B 59 GLU A 238 GLU~? B 128 HIS A 125 HIS.? C 263 HIS A 107 HIS^? ULMNm 3 1ir3_c02 INSULIN RECEPTOR user 3 3 RMSD = 1.25 A TRANSFORM 0.7633 -0.5294 -0.3703 0.2827 -0.2417 0.9283 -0.5809 -0.8133 -0.0349 -11.134 1.375 90.551 A1132 ASP A 388 ASP^? A1134 ALA A 372 ALA.? A1137 ASN A 371 ASN^? ULMNm 3 2odj_o00 PORIN D user 2 3 RMSD = 1.25 A TRANSFORM -0.6706 -0.6577 0.3431 0.6079 -0.7523 -0.2542 0.4253 0.0381 0.9043 37.575 66.668 -19.432 A 156 HIS A 107 HIS^? A 208 ASP A 77 ASP^? A 296 SER A 173 SER~? ULMNm 3 1cqt_d00 GENE REGULATION/DNA user 3 3 RMSD = 1.27 A TRANSFORM 0.5114 0.8529 0.1052 -0.7533 0.3861 0.5325 0.4135 -0.3516 0.8399 -35.613 -4.040 -8.356 I 303 TYR A 244 TYR.? I 306 VAL A 218 VAL.? I 308 VAL A 108 VAL^? ULMNm 3 2adm_c01 ADENINE-N6-DNA-METHYLTRANSFERASE TAQuser 5 3 RMSD = 1.27 A TRANSFORM 0.2871 -0.8135 -0.5057 -0.3320 -0.5797 0.7441 -0.8985 -0.0457 -0.4365 59.290 56.424 95.664 B 105 ASN A 387 ASN.? B 106 PRO A 321 PRO^? B 108 TYR A 323 TYR^? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 12 3 RMSD = 1.27 A TRANSFORM 0.7652 0.2176 0.6059 -0.5617 -0.2342 0.7935 0.3146 -0.9475 -0.0570 6.215 16.694 55.489 A 229 ALA A 224 ALA~? A 257 ALA A 221 ALA.? A 328 ASP A 110 ASP^? ULMNm 3 1dfo_c14 SERINE HYDROXYMETHYLTRANSFERASE user 1 3 RMSD = 1.27 A TRANSFORM 0.1142 -0.5236 0.8442 -0.9846 0.0538 0.1665 -0.1326 -0.8502 -0.5094 18.536 62.604 152.497 C 123 HIS A 107 HIS^? C 200 ASP A 315 ASP~? C 229 LYS A 346 LYS^? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 13 3 RMSD = 1.28 A TRANSFORM -0.6055 -0.0705 -0.7927 -0.7896 0.1774 0.5874 0.0992 0.9816 -0.1631 68.602 3.801 -35.502 A 229 ALA A 224 ALA~? A 257 ALA A 226 ALA~? A 328 ASP A 110 ASP^? ULMNm 3 2adm_c00 ADENINE-N6-DNA-METHYLTRANSFERASE TAQuser 4 3 RMSD = 1.28 A TRANSFORM -0.2761 0.8230 0.4964 0.3514 0.5672 -0.7448 -0.8946 -0.0312 -0.4459 -18.984 20.732 68.624 A 105 ASN A 387 ASN.? A 106 PRO A 321 PRO^? A 108 TYR A 323 TYR^? ULMNm 3 1dfo_c12 SERINE HYDROXYMETHYLTRANSFERASE user 1 3 RMSD = 1.28 A TRANSFORM 0.1532 0.4976 0.8538 0.9878 -0.0533 -0.1462 -0.0273 0.8658 -0.4997 -63.471 79.810 14.911 A 123 HIS A 107 HIS^? A 200 ASP A 315 ASP~? A 229 LYS A 346 LYS^? ULMNm 3 1ddj_c15 PLASMINOGEN user 3 3 RMSD = 1.28 A TRANSFORM -0.0954 -0.4458 0.8900 0.8681 -0.4748 -0.1448 0.4871 0.7588 0.4323 -41.617 69.964 -11.544 D 603 HIS A 125 HIS.? D 646 ASP A 116 ASP.? D 739 GLY A 12 GLY~? ULMNm 3 1dfo_c13 SERINE HYDROXYMETHYLTRANSFERASE user 1 3 RMSD = 1.29 A TRANSFORM 0.8113 -0.5598 -0.1685 0.1891 -0.0214 0.9817 -0.5531 -0.8284 0.0885 41.348 52.261 133.457 B 123 HIS A 107 HIS^? B 200 ASP A 315 ASP~? B 229 LYS A 346 LYS^? ULMNm 3 1dfo_c15 SERINE HYDROXYMETHYLTRANSFERASE user 1 3 RMSD = 1.29 A TRANSFORM 0.8774 0.4584 -0.1419 -0.1694 0.0193 -0.9854 -0.4489 0.8886 0.0946 -35.911 90.886 4.018 D 123 HIS A 107 HIS^? D 200 ASP A 315 ASP~? D 229 LYS A 346 LYS^? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 17 3 RMSD = 1.29 A TRANSFORM 0.9970 -0.0284 0.0721 -0.0655 0.1885 0.9799 -0.0414 -0.9817 0.1860 36.614 -10.319 48.747 A 229 ALA A 226 ALA~? A 257 ALA A 224 ALA~? A 328 ASP A 110 ASP^? ULMNm 3 1xva_c03 GLYCINE N-METHYLTRANSFERASE user 2 3 RMSD = 1.30 A TRANSFORM -0.9656 -0.2430 0.0929 0.1075 -0.0478 0.9930 -0.2369 0.9688 0.0723 141.469 28.122 -34.896 B 137 GLY A 67 GLY.? B 175 ARG A 65 ARG^? B 242 TYR A 62 TYR.? ULMNm 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 3 3 RMSD = 1.30 A TRANSFORM 0.6951 0.6577 0.2901 0.4668 -0.1061 -0.8780 -0.5467 0.7457 -0.3808 3.589 116.430 21.196 229 ASP A 110 ASP^? 264 GLU A 307 GLU~? 328 ASP A 225 ASP~? ULMNm 3 1ni4_c00 PYRUVATE DEHYDROGENASE E1 COMPONENT:user 1 3 RMSD = 1.30 A TRANSFORM 0.2970 0.6783 -0.6721 0.2438 -0.7344 -0.6335 -0.9232 0.0243 -0.3835 2.914 80.966 101.240 B 59 GLU A 137 GLU~? B 128 HIS A 107 HIS^? C 263 HIS A 125 HIS.? ULMNm 3 1lio_c01 ADENOSINE KINASE user 1 3 RMSD = 1.30 A TRANSFORM -0.1499 -0.7125 0.6855 0.0550 -0.6983 -0.7137 0.9872 -0.0693 0.1439 42.613 82.666 39.278 A 316 ALA A 111 ALA.? A 317 GLY A 113 GLY.? A 318 ASP A 110 ASP^? ULMNm 3 1nw9_c02 CASPASE 9, APOPTOSIS-RELATED CYSTEINuser 1 3 RMSD = 1.31 A TRANSFORM 0.2596 0.2450 0.9341 0.9378 -0.2949 -0.1833 0.2306 0.9236 -0.3063 -2.096 -1.726 46.825 B 237 HIS A 48 HIS.? B 238 GLY A 67 GLY.? B 287 CYH A 50 CYH.? ULMNm 3 1cdg_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE (E.user 5 3 RMSD = 1.31 A TRANSFORM -0.0429 0.9985 0.0350 0.5569 0.0529 -0.8289 -0.8295 -0.0161 -0.5583 -5.589 116.899 61.050 229 ASP A 116 ASP.? 264 GLU A 238 GLU~? 328 ASP A 110 ASP^? ULMNm 3 1aql_c02 BILE-SALT ACTIVATED LIPASE user 2 3 RMSD = 1.31 A TRANSFORM 0.8928 0.4096 0.1872 -0.2203 0.0347 0.9748 0.3928 -0.9116 0.1212 -7.218 -17.683 92.021 A 194 SER A 208 SER~? A 292 ASP A 126 ASP~? A 322 HIS A 171 HIS~? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 2 3 RMSD = 1.32 A TRANSFORM -0.3762 -0.3293 0.8660 -0.8830 0.4107 -0.2274 -0.2808 -0.8502 -0.4453 14.677 -97.049 -46.681 A 420 ALA A 169 ALA~? B 182 GLY A 174 GLY~? B 183 GLY A 176 GLY~? ULMNm 3 1cjy_c01 CYTOSOLIC PHOSPHOLIPASE A2 user 4 3 RMSD = 1.32 A TRANSFORM -0.4252 -0.8302 -0.3605 0.2190 -0.4809 0.8490 -0.8782 0.2821 0.3863 183.391 67.715 112.755 B1198 GLY A 304 GLY~? B1228 SER A 250 SER~? B1549 ASP A 225 ASP~? ULMNm 3 2odj_o01 PORIN D user 3 3 RMSD = 1.33 A TRANSFORM 0.1269 0.9864 -0.1048 0.9915 -0.1292 -0.0159 -0.0293 -0.1019 -0.9944 -77.142 -16.873 137.360 B 156 HIS A 187 HIS~? B 208 ASP A 202 ASP~? B 296 SER A 103 SER.? ULMNm 3 1ct9_c06 ASPARAGINE SYNTHETASE B user 1 3 RMSD = 1.33 A TRANSFORM 0.9164 -0.3836 0.1147 0.0701 0.4357 0.8974 -0.3942 -0.8143 0.4261 19.426 -35.294 62.172 C 1 ALA A 251 ALA~? C 74 ASN A 222 ASN.? C 75 GLY A 12 GLY~? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 22 3 RMSD = 1.33 A TRANSFORM -0.4767 -0.7652 -0.4327 -0.4595 -0.2027 0.8647 -0.7494 0.6111 -0.2550 90.062 12.770 -14.292 A 229 ALA A 227 ALA~? A 257 ALA A 226 ALA~? A 328 ASP A 110 ASP^? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 3 3 RMSD = 1.34 A TRANSFORM 0.4271 0.2052 -0.8806 0.8883 -0.2773 0.3662 -0.1690 -0.9386 -0.3007 72.278 -123.209 -52.024 A 420 ALA A 169 ALA~? B 182 GLY A 176 GLY~? B 183 GLY A 174 GLY~? ULMNm 3 1xva_c03 GLYCINE N-METHYLTRANSFERASE user 1 3 RMSD = 1.35 A TRANSFORM 0.3073 0.9476 0.0875 -0.5756 0.1118 0.8100 0.7578 -0.2993 0.5798 36.898 53.215 -32.799 B 137 GLY A 54 GLY.? B 175 ARG A 373 ARG.? B 242 TYR A 323 TYR^? ULMNm 3 1ct9_c07 ASPARAGINE SYNTHETASE B user 1 3 RMSD = 1.35 A TRANSFORM 0.4122 -0.8674 -0.2788 0.8613 0.4708 -0.1912 0.2971 -0.1613 0.9411 30.003 18.552 88.461 D 1 ALA A 251 ALA~? D 74 ASN A 222 ASN.? D 75 GLY A 12 GLY~? ULMNm 3 1ni4_c01 PYRUVATE DEHYDROGENASE E1 COMPONENT:user 2 3 RMSD = 1.36 A TRANSFORM -0.5974 -0.4448 0.6673 0.7274 0.0498 0.6844 -0.3376 0.8943 0.2938 2.965 -44.703 5.627 A 263 HIS A 125 HIS.? D 59 GLU A 137 GLU~? D 128 HIS A 107 HIS^? ULMNm 3 1ct9_c05 ASPARAGINE SYNTHETASE B user 1 3 RMSD = 1.36 A TRANSFORM -0.9170 -0.0387 0.3971 -0.0449 -0.9789 -0.1992 0.3964 -0.2005 0.8959 37.103 65.312 1.678 B 1 ALA A 251 ALA~? B 74 ASN A 222 ASN.? B 75 GLY A 12 GLY~? ULMNm 3 1ct9_c04 ASPARAGINE SYNTHETASE B user 1 3 RMSD = 1.37 A TRANSFORM -0.3858 0.4624 0.7984 -0.8792 0.0780 -0.4701 -0.2797 -0.8832 0.3764 -45.141 84.597 151.833 A 1 ALA A 251 ALA~? A 74 ASN A 222 ASN.? A 75 GLY A 12 GLY~? ULMNm 3 1i19_c00 CHOLESTEROL OXIDASE user 2 3 RMSD = 1.37 A TRANSFORM -0.8467 0.4884 0.2113 0.2192 0.6819 -0.6978 -0.4849 -0.5445 -0.6844 -24.047 25.664 119.475 A 311 GLU A 238 GLU~? A 475 GLU A 239 GLU~? A 477 ARG A 242 ARG~? ULMNm 3 1pnl_c00 PENICILLIN AMIDOHYDROLASE user 2 3 RMSD = 1.38 A TRANSFORM -0.3390 -0.9402 -0.0334 0.4285 -0.1859 0.8842 -0.8375 0.2854 0.4659 59.434 18.668 14.216 B 1 SER A 250 SER~? B 69 ALA A 224 ALA~? B 241 ASN A 222 ASN.? ULMNm 3 1b6g_c00 HALOALKANE DEHALOGENASE user 1 3 RMSD = 1.39 A TRANSFORM 0.8537 -0.4475 0.2662 0.1922 0.7460 0.6376 -0.4839 -0.4932 0.7229 48.893 -33.801 19.916 124 ASP A 116 ASP.? 260 ASP A 130 ASP~? 289 HIS A 125 HIS.? ULMNm 3 1stc_c02 CAMP-DEPENDENT PROTEIN KINASE user 6 3 RMSD = 1.39 A TRANSFORM -0.6560 -0.1919 -0.7300 0.3656 -0.9269 -0.0849 -0.6603 -0.3226 0.6782 37.015 57.570 22.949 E 166 ASP A 225 ASP~? E 168 LYS A 293 LYS.? E 201 THR A 303 THR.? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 25 3 RMSD = 1.40 A TRANSFORM -0.0025 0.6187 0.7856 -0.4270 0.7097 -0.5603 -0.9043 -0.3368 0.2624 -11.117 18.775 20.332 A 229 ALA A 252 ALA~? A 257 ALA A 251 ALA~? A 328 ASP A 225 ASP~? ULMNm 3 1xs1_c07 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 3 3 RMSD = 1.41 A TRANSFORM 0.8776 -0.4204 0.2305 -0.4346 -0.9005 0.0122 0.2024 -0.1108 -0.9730 0.250 73.692 88.180 B 124 ALA A 167 ALA~? B 126 ARG A 156 ARG.? B 138 GLU A 179 GLU~? ULMNm 3 1ehy_c03 SOLUBLE EPOXIDE HYDROLASE user 1 3 RMSD = 1.41 A TRANSFORM 0.9530 0.2649 0.1473 0.3024 -0.8000 -0.5182 -0.0194 0.5384 -0.8425 18.114 86.683 87.327 D 107 ASP A 130 ASP~? D 246 ASP A 123 ASP.? D 275 HIS A 125 HIS.? ULMNm 3 1stc_c02 CAMP-DEPENDENT PROTEIN KINASE user 2 3 RMSD = 1.41 A TRANSFORM 0.0094 -0.9090 0.4166 0.4166 0.3823 0.8248 -0.9090 0.1658 0.3823 40.502 -71.484 -12.375 E 166 ASP A 151 ASP~? E 168 LYS A 155 LYS~? E 201 THR A 196 THR~? ULMNm 3 2dbt_c02 CHITINASE C user 2 3 RMSD = 1.41 A TRANSFORM 0.2057 0.9661 0.1561 0.7748 -0.0633 -0.6290 -0.5978 0.2503 -0.7616 -39.787 50.040 46.947 C 147 GLU A 184 GLU~? C 156 GLU A 165 GLU~? C 194 ASN A 190 ASN.? ULMNm 3 1ddj_c15 PLASMINOGEN user 2 3 RMSD = 1.42 A TRANSFORM -0.3365 -0.3260 0.8835 0.9407 -0.1590 0.2996 0.0428 0.9319 0.3601 -49.236 36.932 -21.058 D 603 HIS A 125 HIS.? D 646 ASP A 116 ASP.? D 739 GLY A 7 GLY^? ULMNm 3 2dbt_c01 CHITINASE C user 8 3 RMSD = 1.42 A TRANSFORM -0.5855 -0.2413 0.7740 -0.6867 0.6549 -0.3153 -0.4308 -0.7161 -0.5491 49.875 62.378 74.033 B 147 GLU A 267 GLU.? B 156 GLU A 254 GLU~? B 194 ASN A 310 ASN~? ULMNm 3 1xs1_c11 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 3 3 RMSD = 1.43 A TRANSFORM -0.0590 0.9806 -0.1872 -0.9891 -0.0827 -0.1215 -0.1347 0.1780 0.9748 -65.928 30.147 -11.953 F 124 ALA A 167 ALA~? F 126 ARG A 156 ARG.? F 138 GLU A 179 GLU~? ULMNm 3 1bvz_c09 ALPHA-AMYLASE II user 1 3 RMSD = 1.43 A TRANSFORM 0.0571 0.2506 0.9664 0.9834 0.1529 -0.0978 -0.1723 0.9559 -0.2377 -40.666 -38.104 2.302 B 325 ASP A 381 ASP.? B 354 GLU A 380 GLU.? B 421 ASP A 353 ASP~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 2 3 RMSD = 1.43 A TRANSFORM 0.6762 0.7243 0.1347 -0.5997 0.4351 0.6716 0.4278 -0.5349 0.7286 5.276 -37.984 19.793 A 67 ASP A 110 ASP^? A 68 ALA A 111 ALA.? A 72 LEU A 235 LEU~? ULMNm 3 1i19_c01 CHOLESTEROL OXIDASE user 2 3 RMSD = 1.44 A TRANSFORM 0.8634 -0.4647 -0.1963 -0.3501 -0.2718 -0.8964 0.3632 0.8427 -0.3973 77.845 78.928 43.158 B 311 GLU A 238 GLU~? B 475 GLU A 239 GLU~? B 477 ARG A 242 ARG~? ULMNm 3 1lij_c01 ADENOSINE KINASE user 1 3 RMSD = 1.44 A TRANSFORM -0.5525 0.7496 -0.3643 -0.8279 -0.4433 0.3435 0.0960 0.4915 0.8656 117.558 31.315 -57.650 A 316 ALA A 111 ALA.? A 317 GLY A 113 GLY.? A 318 ASP A 110 ASP^? ULMNm 3 1uok_c05 OLIGO-1,6-GLUCOSIDASE user 2 3 RMSD = 1.45 A TRANSFORM -0.8451 -0.3392 -0.4133 -0.4435 0.0129 0.8962 -0.2987 0.9406 -0.1613 84.339 -3.516 -28.801 199 ASP A 130 ASP~? 242 GLU A 2 GLU^? 329 ASP A 116 ASP.? ULMNm 3 1xs1_c08 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 3 3 RMSD = 1.45 A TRANSFORM -0.8399 -0.5395 -0.0589 -0.5037 0.8154 -0.2854 0.2020 -0.2100 -0.9566 52.057 -36.262 94.554 C 124 ALA A 167 ALA~? C 126 ARG A 156 ARG.? C 138 GLU A 179 GLU~? ULMNm 3 2odj_o00 PORIN D user 3 3 RMSD = 1.45 A TRANSFORM -0.1137 0.1540 0.9815 -0.9894 0.0720 -0.1259 -0.0900 -0.9854 0.1442 -49.180 38.649 96.644 A 156 HIS A 187 HIS~? A 208 ASP A 202 ASP~? A 296 SER A 103 SER.? ULMNm 3 2dbt_c02 CHITINASE C user 6 3 RMSD = 1.46 A TRANSFORM -0.0142 0.2413 0.9703 0.7798 -0.6047 0.1618 0.6258 0.7590 -0.1796 4.425 29.847 -30.487 C 147 GLU A 267 GLU.? C 156 GLU A 254 GLU~? C 194 ASN A 310 ASN~? ULMNm 3 1r4i_d00 TRANSCRIPTION/DNA user 2 3 RMSD = 1.46 A TRANSFORM 0.7843 -0.1158 -0.6094 0.1355 -0.9267 0.3505 -0.6054 -0.3574 -0.7112 1.052 111.207 90.835 A 563 LYS A 295 LYS.? A 564 VAL A 296 VAL.? A 568 ARG A 299 ARG.? ULMNm 3 1bvz_c08 ALPHA-AMYLASE II user 1 3 RMSD = 1.46 A TRANSFORM -0.1149 -0.2072 -0.9715 -0.7666 -0.6035 0.2193 -0.6317 0.7700 -0.0895 97.248 114.077 38.075 A 325 ASP A 381 ASP.? A 354 GLU A 380 GLU.? A 421 ASP A 353 ASP~? ULMNm 3 1cns_c01 CHITINASE user 1 3 RMSD = 1.46 A TRANSFORM -0.9871 -0.1502 -0.0560 -0.0911 0.8132 -0.5749 0.1319 -0.5623 -0.8163 43.697 -33.285 87.764 B 67 GLU A 267 GLU.? B 89 GLU A 254 GLU~? B 120 SER A 302 SER.? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 11 3 RMSD = 1.46 A TRANSFORM -0.8661 -0.0623 0.4959 -0.1535 -0.9112 -0.3824 0.4757 -0.4073 0.7796 32.198 85.938 1.206 A 229 ALA A 221 ALA.? A 257 ALA A 111 ALA.? A 328 ASP A 225 ASP~? ULMNm 3 2dbt_c00 CHITINASE C user 6 3 RMSD = 1.46 A TRANSFORM 0.4951 -0.4638 0.7347 -0.4405 0.5949 0.6724 -0.7489 -0.6565 0.0902 60.725 -24.243 47.081 A 147 GLU A 254 GLU~? A 156 GLU A 307 GLU~? A 194 ASN A 222 ASN.? ULMNm 3 2dbt_c01 CHITINASE C user 2 3 RMSD = 1.46 A TRANSFORM 0.4101 0.5192 0.7498 -0.8646 -0.0402 0.5008 0.2902 -0.8537 0.4324 -38.297 58.331 49.531 B 147 GLU A 184 GLU~? B 156 GLU A 165 GLU~? B 194 ASN A 190 ASN.? ULMNm 3 1tz3_c02 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.46 A TRANSFORM 0.5890 0.5798 -0.5629 -0.5586 -0.2112 -0.8021 -0.5839 0.7869 0.1995 13.870 21.232 -50.603 A 250 ALA A 111 ALA.? A 251 GLY A 113 GLY.? A 252 ASP A 110 ASP^? ULMNm 3 1mdr_c01 MANDELATE RACEMASE (E.C.5.1.2.2) user 5 3 RMSD = 1.46 A TRANSFORM -0.7020 0.0460 0.7107 -0.7060 0.0868 -0.7029 -0.0940 -0.9952 -0.0284 11.578 48.902 89.979 164 LYS A 318 LYS.? 166 LYS A 346 LYS^? 324 SER A 208 SER~? ULMNm 3 1xs1_c09 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 3 3 RMSD = 1.46 A TRANSFORM 0.8697 -0.4380 0.2275 0.4535 0.8911 -0.0180 -0.1948 0.1188 0.9736 1.814 -70.550 -6.663 D 124 ALA A 167 ALA~? D 126 ARG A 156 ARG.? D 138 GLU A 179 GLU~? ULMNm 3 1xs1_c10 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 3 3 RMSD = 1.46 A TRANSFORM -0.8285 -0.5582 -0.0449 0.5223 -0.7992 0.2975 -0.2019 0.2230 0.9537 52.147 36.582 -13.045 E 124 ALA A 167 ALA~? E 126 ARG A 156 ARG.? E 138 GLU A 179 GLU~? ULMNm 3 1bhg_c04 BETA-GLUCURONIDASE user 6 3 RMSD = 1.46 A TRANSFORM -0.7132 0.6855 -0.1463 -0.4534 -0.6104 -0.6495 -0.5345 -0.3969 0.7462 42.840 147.930 80.394 A 382 ARG A 242 ARG~? A 451 GLU A 129 GLU~? A 540 GLU A 132 GLU~? ULMNm 3 1b57_c01 FRUCTOSE-BISPHOSPHATE ALDOLASE II user 4 3 RMSD = 1.46 A TRANSFORM -0.6708 -0.6785 -0.2994 0.6702 -0.7275 0.1470 -0.3176 -0.1021 0.9427 92.242 82.726 114.662 B 109 ASP A 388 ASP^? B 182 GLU A 383 GLU.? B 286 ASN A 371 ASN^? ULMNm 3 2tmd_c03 TRIMETHYLAMINE DEHYDROGENASE user 2 3 RMSD = 1.47 A TRANSFORM -0.6866 0.1268 0.7159 0.7269 0.1002 0.6794 0.0145 0.9869 -0.1609 34.989 -57.488 -11.899 B 169 TYR A 323 TYR^? B 172 HIS A 48 HIS.? B 174 TYR A 62 TYR.? ULMNm 3 1be1_c02 GLUTAMATE MUTASE user 2 3 RMSD = 1.47 A TRANSFORM 0.3274 0.9188 0.2206 0.8480 -0.1827 -0.4976 -0.4168 0.3499 -0.8389 -63.160 22.018 4.358 14 ASP A 110 ASP^? 16 HIS A 125 HIS.? 67 GLY A 243 GLY.? ULMNm 3 1tz3_c03 PUTATIVE SUGAR KINASE user 1 3 RMSD = 1.47 A TRANSFORM 0.6937 0.3008 0.6544 -0.6137 -0.2287 0.7557 0.3770 -0.9259 0.0260 -21.276 -34.156 -1.383 B 250 ALA A 111 ALA.? B 251 GLY A 113 GLY.? B 252 ASP A 110 ASP^? ULMNm 3 2dbt_c00 CHITINASE C user 3 3 RMSD = 1.47 A TRANSFORM -0.3596 -0.7931 -0.4917 -0.9002 0.1561 0.4065 -0.2456 0.5888 -0.7701 163.356 2.583 11.285 A 147 GLU A 184 GLU~? A 156 GLU A 165 GLU~? A 194 ASN A 190 ASN.? ULMNm 3 2tmd_c02 TRIMETHYLAMINE DEHYDROGENASE user 2 3 RMSD = 1.48 A TRANSFORM 0.8253 0.0008 -0.5648 0.2967 0.8502 0.4348 0.4805 -0.5264 0.7014 18.806 -52.046 -18.723 A 169 TYR A 323 TYR^? A 172 HIS A 48 HIS.? A 174 TYR A 62 TYR.? ULMNm 3 1cb7_c06 GLUTAMATE MUTASE user 3 3 RMSD = 1.48 A TRANSFORM 0.6329 -0.5740 0.5196 -0.6707 -0.7418 -0.0024 0.3868 -0.3469 -0.8544 21.712 28.365 131.533 A 14 ASP A 130 ASP~? A 16 HIS A 125 HIS.? A 67 GLY A 7 GLY^? ULMNm 3 2odj_o01 PORIN D user 2 3 RMSD = 1.48 A TRANSFORM -0.4722 -0.0319 -0.8809 -0.4871 0.8423 0.2306 0.7346 0.5380 -0.4133 40.729 -61.461 60.436 B 156 HIS A 107 HIS^? B 208 ASP A 77 ASP^? B 296 SER A 173 SER~? ULMNm 3 2dbt_c02 CHITINASE C user 5 3 RMSD = 1.48 A TRANSFORM -0.7614 0.1812 -0.6225 0.2732 -0.7811 -0.5614 -0.5880 -0.5975 0.5452 67.879 76.740 31.134 C 147 GLU A 254 GLU~? C 156 GLU A 307 GLU~? C 194 ASN A 222 ASN.? ULMNm 3 1cb7_c06 GLUTAMATE MUTASE user 2 3 RMSD = 1.48 A TRANSFORM -0.5947 -0.7958 -0.1140 0.7814 -0.6056 0.1504 -0.1888 0.0004 0.9820 58.318 14.604 36.320 A 14 ASP A 130 ASP~? A 16 HIS A 107 HIS^? A 67 GLY A 119 GLY.? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 18 3 RMSD = 1.49 A TRANSFORM 0.1382 0.3759 0.9163 0.1311 0.9101 -0.3931 -0.9817 0.1745 0.0765 -2.736 -7.952 0.683 A 229 ALA A 226 ALA~? A 257 ALA A 224 ALA~? A 328 ASP A 229 ASP~? ULMNm 3 1cb7_c07 GLUTAMATE MUTASE user 3 3 RMSD = 1.49 A TRANSFORM 0.6987 -0.6323 0.3347 0.6729 0.7397 -0.0072 -0.2430 0.2303 0.9423 31.537 3.355 37.068 C 14 ASP A 130 ASP~? C 16 HIS A 125 HIS.? C 67 GLY A 7 GLY^? ULMNm 3 1bhg_c05 BETA-GLUCURONIDASE user 5 3 RMSD = 1.49 A TRANSFORM -0.7911 0.5702 -0.2214 0.2944 0.6722 0.6794 0.5362 0.4723 -0.6996 57.395 -31.138 113.105 B 382 ARG A 242 ARG~? B 451 GLU A 129 GLU~? B 540 GLU A 132 GLU~? ULMNm 3 1be1_c02 GLUTAMATE MUTASE user 3 3 RMSD = 1.50 A TRANSFORM 0.4794 0.2396 0.8442 -0.8727 0.2317 0.4298 -0.0926 -0.9428 0.3202 -58.267 -37.261 30.777 14 ASP A 130 ASP~? 16 HIS A 107 HIS^? 67 GLY A 144 GLY~? ULMNm 3 1xs1_c11 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 2 3 RMSD = 1.50 A TRANSFORM -0.7937 0.4112 -0.4484 -0.4185 -0.9039 -0.0881 -0.4415 0.1178 0.8895 3.685 74.191 3.179 F 124 ALA A 167 ALA~? F 126 ARG A 156 ARG.? F 138 GLU A 165 GLU~? ULMNm 3 2dbt_c00 CHITINASE C user 10 3 RMSD = 1.50 A TRANSFORM -0.2044 0.8316 -0.5164 0.9648 0.0819 -0.2500 -0.1656 -0.5493 -0.8190 44.369 -14.010 87.353 A 147 GLU A 383 GLU.? A 156 GLU A 380 GLU.? A 194 ASN A 371 ASN^?