*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1mpy_c02 CATECHOL 2,3-DIOXYGENASE user 1 3 RMSD = 0.89 A TRANSFORM 0.8162 0.5777 0.0111 0.0291 -0.0603 0.9978 -0.5771 0.8140 0.0660 46.090 -58.982 -16.165 C 199 HIS A 207 HIS~? C 246 HIS A 179 HIS~? C 255 TYR A 259 TYR~? ULMNm 3 1t4c_c02 FORMYL-COENZYME A TRANSFERASE user 1 3 RMSD = 0.89 A TRANSFORM -0.8929 0.2268 -0.3889 -0.3811 -0.8406 0.3849 0.2396 -0.4919 -0.8371 89.175 16.370 62.770 A 261 GLY A 122 GLY.? B 17 GLN A 130 GLN~? B 140 GLU A 121 GLU.? ULMNm 3 1mpy_c00 CATECHOL 2,3-DIOXYGENASE user 1 3 RMSD = 0.93 A TRANSFORM 0.7416 0.5389 -0.3995 -0.3542 -0.1912 -0.9154 0.5697 -0.8204 -0.0491 78.835 90.582 7.199 A 199 HIS A 207 HIS~? A 246 HIS A 179 HIS~? A 255 TYR A 259 TYR~? ULMNm 3 1mpy_c01 CATECHOL 2,3-DIOXYGENASE user 1 3 RMSD = 0.94 A TRANSFORM -0.8738 -0.4840 -0.0467 -0.1199 0.3074 -0.9440 -0.4712 0.8193 0.3267 96.809 78.705 -38.343 B 199 HIS A 207 HIS~? B 246 HIS A 179 HIS~? B 255 TYR A 259 TYR~? ULMNm 3 1mpy_c03 CATECHOL 2,3-DIOXYGENASE user 1 3 RMSD = 0.95 A TRANSFORM -0.7125 -0.5893 0.3809 0.5172 -0.0741 0.8527 0.4742 -0.8045 -0.3576 65.361 -55.003 31.082 D 199 HIS A 207 HIS~? D 246 HIS A 179 HIS~? D 255 TYR A 259 TYR~? ULMNm 3 1pyl_c01 RIBONUCLEASE user 5 3 RMSD = 0.96 A TRANSFORM 0.1421 -0.4119 -0.9001 0.7349 0.6530 -0.1828 -0.6631 0.6355 -0.3955 134.831 -26.648 48.225 B 56 GLU A 453 GLU^? B 67 ARG A 387 ARG.? B 86 HIS A 400 HIS.? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 4 3 RMSD = 1.06 A TRANSFORM 0.1908 0.5632 0.8040 -0.1864 0.8249 -0.5336 0.9638 0.0481 -0.2623 -68.711 65.408 142.987 A 70 ALA A 273 ALA~? A 126 LEU A 300 LEU.? A 158 GLU A 304 GLU~? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 5 3 RMSD = 1.06 A TRANSFORM 0.1543 -0.9873 0.0371 0.2648 0.0775 0.9612 0.9519 0.1385 -0.2735 -30.886 -66.817 145.242 B 70 ALA A 273 ALA~? B 126 LEU A 300 LEU.? B 158 GLU A 304 GLU~? ULMNm 3 2isd_c00 PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPuser 1 3 RMSD = 1.07 A TRANSFORM -0.2153 -0.7737 0.5958 -0.5004 -0.4366 -0.7477 -0.8386 0.4591 0.2932 117.045 107.076 10.749 A 311 HIS A 207 HIS~? A 341 GLU A 184 GLU~? A 356 HIS A 179 HIS~? ULMNm 3 2isd_c01 PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPuser 2 3 RMSD = 1.10 A TRANSFORM 0.4519 -0.8893 0.0702 -0.5713 -0.3489 -0.7429 -0.6851 -0.2956 0.6657 89.005 107.164 -35.921 B 311 HIS A 207 HIS~? B 341 GLU A 184 GLU~? B 356 HIS A 179 HIS~? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 5 3 RMSD = 1.10 A TRANSFORM -0.2403 0.4343 -0.8681 0.0156 -0.8925 -0.4508 0.9706 0.1219 -0.2076 64.946 31.819 139.469 C 70 ALA A 273 ALA~? C 126 LEU A 300 LEU.? C 158 GLU A 304 GLU~? ULMNm 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 2 3 RMSD = 1.12 A TRANSFORM -0.2004 0.9759 0.0863 -0.4494 -0.0132 -0.8932 0.8706 0.2178 -0.4412 -6.055 132.371 48.604 179 ASP A 296 ASP.? 227 GLU A 304 GLU~? 289 ASP A 292 ASP.? ULMNm 3 1bol_c00 RIBONUCLEASE RH user 3 3 RMSD = 1.13 A TRANSFORM 0.2243 -0.8890 -0.3992 -0.8869 -0.0164 -0.4616 -0.4038 -0.4576 0.7921 85.121 79.787 -24.881 A 46 HIS A 207 HIS~? A 105 GLU A 183 GLU~? A 109 HIS A 179 HIS~? ULMNm 3 2dbt_c02 CHITINASE C user 2 3 RMSD = 1.15 A TRANSFORM -0.0200 -0.6206 -0.7839 -0.9558 -0.2182 0.1971 0.2933 -0.7532 0.5888 104.344 36.440 3.123 C 147 GLU A 134 GLU~? C 156 GLU A 140 GLU~? C 194 ASN A 255 ASN~? ULMNm 3 1ct9_c05 ASPARAGINE SYNTHETASE B user 2 3 RMSD = 1.18 A TRANSFORM 0.7109 -0.6549 0.2563 0.1188 0.4711 0.8740 0.6932 0.5909 -0.4127 47.238 -50.272 5.593 B 1 ALA A 146 ALA~? B 74 ASN A 143 ASN~? B 75 GLY A 241 GLY~? ULMNm 3 1pyl_c00 RIBONUCLEASE user 4 3 RMSD = 1.19 A TRANSFORM 0.4438 0.6456 0.6215 0.8696 -0.1429 -0.4726 0.2163 -0.7502 0.6249 -77.142 33.713 -26.854 A 56 GLU A 453 GLU^? A 67 ARG A 387 ARG.? A 86 HIS A 400 HIS.? ULMNm 3 1ct9_c04 ASPARAGINE SYNTHETASE B user 2 3 RMSD = 1.20 A TRANSFORM 0.7246 -0.4240 -0.5434 -0.1023 -0.8458 0.5236 0.6816 0.3238 0.6562 31.499 81.863 65.070 A 1 ALA A 146 ALA~? A 74 ASN A 143 ASN~? A 75 GLY A 241 GLY~? ULMNm 3 1be1_c02 GLUTAMATE MUTASE user 1 3 RMSD = 1.20 A TRANSFORM 0.0669 -0.9553 -0.2879 0.9396 -0.0367 0.3403 0.3356 0.2933 -0.8952 38.834 -54.491 26.188 14 ASP A 208 ASP~? 16 HIS A 207 HIS~? 67 GLY A 195 GLY.? ULMNm 3 2dbt_c00 CHITINASE C user 2 3 RMSD = 1.21 A TRANSFORM 0.0560 0.2621 0.9634 0.9984 -0.0091 -0.0556 0.0058 -0.9650 0.2622 12.876 8.167 26.280 A 147 GLU A 134 GLU~? A 156 GLU A 140 GLU~? A 194 ASN A 255 ASN~? ULMNm 3 1bhg_c03 BETA-GLUCURONIDASE user 6 3 RMSD = 1.22 A TRANSFORM -0.8574 0.3108 0.4103 -0.2950 0.3566 -0.8865 0.4218 0.8811 0.2141 74.266 85.245 66.024 B 451 GLU A 183 GLU~? B 504 TYR A 259 TYR~? B 540 GLU A 254 GLU~? ULMNm 3 1ct9_c06 ASPARAGINE SYNTHETASE B user 2 3 RMSD = 1.23 A TRANSFORM -0.1401 0.9782 -0.1533 0.6432 -0.0278 -0.7652 0.7528 0.2058 0.6253 -22.300 40.541 -15.101 C 1 ALA A 146 ALA~? C 74 ASN A 143 ASN~? C 75 GLY A 241 GLY~? ULMNm 3 1bol_c00 RIBONUCLEASE RH user 2 3 RMSD = 1.23 A TRANSFORM 0.1670 -0.9529 -0.2532 0.8857 0.0321 0.4632 0.4333 0.3016 -0.8493 79.940 -15.381 26.567 A 46 HIS A 179 HIS~? A 105 GLU A 254 GLU~? A 109 HIS A 207 HIS~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 3 3 RMSD = 1.24 A TRANSFORM -0.8806 0.4521 0.1417 -0.3928 -0.8639 0.3153 -0.2650 -0.2220 -0.9384 48.054 31.956 77.299 A 67 ASP A 249 ASP~? A 68 ALA A 246 ALA~? A 72 LEU A 247 LEU~? ULMNm 3 1i29_c03 CSDB user 8 3 RMSD = 1.24 A TRANSFORM -0.4169 0.5975 -0.6849 -0.8514 0.0070 0.5244 -0.3182 -0.8018 -0.5058 93.556 7.053 84.235 A 128 VAL A 391 VAL~? A 200 ASP A 370 ASP.? A 226 LYS A 416 LYS~? ULMNm 3 2dbt_c01 CHITINASE C user 3 3 RMSD = 1.25 A TRANSFORM -0.0389 0.1244 -0.9915 0.9780 0.2081 -0.0123 -0.2048 0.9702 0.1298 95.546 46.217 -19.826 B 147 GLU A 134 GLU~? B 156 GLU A 140 GLU~? B 194 ASN A 255 ASN~? ULMNm 3 2cpu_c01 ALPHA-AMYLASE user 3 3 RMSD = 1.29 A TRANSFORM -0.0395 0.9959 0.0813 -0.9110 -0.0024 -0.4125 0.4106 0.0904 -0.9073 -26.536 70.028 88.615 A 197 ASP A 208 ASP~? A 233 GLU A 184 GLU~? A 300 ASN A 181 ASN~? ULMNm 3 3uby_d00 HYDROLASE/DNA user 1 3 RMSD = 1.31 A TRANSFORM 0.0763 -0.7447 -0.6630 0.9262 -0.1933 0.3237 0.3692 0.6388 -0.6750 105.847 -51.637 63.635 A 162 TYR A 433 TYR^? A 164 MET A 456 MET^? A 165 TYR A 435 TYR^? ULMNm 3 1emh_d00 HYDROLASE/DNA user 1 3 RMSD = 1.34 A TRANSFORM 0.1239 -0.9922 -0.0106 -0.9642 -0.1179 -0.2374 -0.2343 -0.0397 0.9714 23.698 53.299 -22.900 A 271 PRO A 329 PRO.? A 272 LEU A 325 LEU~? A 276 ARG A 326 ARG.? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 2 3 RMSD = 1.35 A TRANSFORM -0.4259 -0.2493 0.8698 0.5212 -0.8534 0.0106 -0.7396 -0.4578 -0.4933 -32.688 67.401 212.474 A 70 ALA A 218 ALA~? A 126 LEU A 221 LEU~? A 158 GLU A 166 GLU~? ULMNm 3 1m53_c06 ISOMALTULOSE SYNTHASE user 1 3 RMSD = 1.35 A TRANSFORM 0.2356 -0.1932 -0.9525 -0.7745 0.5547 -0.3040 -0.5870 -0.8093 0.0189 73.612 59.889 94.416 A 241 ASP A 292 ASP.? A 279 GLU A 131 GLU~? A 369 ASP A 296 ASP.? ULMNm 3 1gal_c00 GLUCOSE OXIDASE (E.C.1.1.3.4) user 1 3 RMSD = 1.35 A TRANSFORM 0.3013 -0.2926 0.9075 0.9526 0.1332 -0.2734 0.0409 -0.9469 -0.3189 -7.819 1.269 99.464 412 GLU A 184 GLU~? 516 HIS A 179 HIS~? 559 HIS A 207 HIS~? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 3 3 RMSD = 1.35 A TRANSFORM -0.3053 0.8169 -0.4894 -0.6318 0.2108 0.7459 -0.7124 -0.5369 -0.4518 -43.895 -36.410 215.863 B 70 ALA A 218 ALA~? B 126 LEU A 221 LEU~? B 158 GLU A 166 GLU~? ULMNm 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 1 3 RMSD = 1.36 A TRANSFORM -0.7516 -0.6496 -0.1149 0.3773 -0.2804 -0.8826 -0.5411 0.7067 -0.4559 51.259 160.643 42.609 193 ASP A 292 ASP.? 231 ASP A 344 ASP^? 294 ASP A 296 ASP.? ULMNm 3 2dbt_c00 CHITINASE C user 1 3 RMSD = 1.36 A TRANSFORM -0.7631 0.6281 -0.1522 0.6098 0.7777 0.1527 -0.2143 -0.0237 0.9765 75.607 -24.418 -44.405 A 147 GLU A 131 GLU~? A 156 GLU A 254 GLU~? A 194 ASN A 181 ASN~? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 3 3 RMSD = 1.37 A TRANSFORM 0.6508 -0.6228 -0.4344 0.0425 0.6010 -0.7981 -0.7581 -0.5009 -0.4176 49.943 5.819 211.855 C 70 ALA A 218 ALA~? C 126 LEU A 221 LEU~? C 158 GLU A 166 GLU~? ULMNm 3 1bhg_c04 BETA-GLUCURONIDASE user 8 3 RMSD = 1.37 A TRANSFORM 0.3803 -0.0790 -0.9215 -0.8880 -0.3096 -0.3399 0.2584 -0.9476 0.1878 129.037 135.770 97.092 A 382 ARG A 211 ARG~? A 451 GLU A 183 GLU~? A 540 GLU A 184 GLU~? ULMNm 3 2amg_c02 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 1 3 RMSD = 1.39 A TRANSFORM 0.7064 -0.3678 -0.6048 0.5487 -0.2553 0.7961 0.4472 0.8942 -0.0215 66.117 46.283 1.443 193 ASP A 292 ASP.? 219 GLU A 295 GLU.? 294 ASP A 296 ASP.? ULMNm 3 3hde_o00 LYSOZYME user 2 3 RMSD = 1.41 A TRANSFORM -0.8870 -0.4164 0.1996 -0.2522 0.7989 0.5461 0.3869 -0.4340 0.8136 19.910 -90.957 -42.086 A 35 GLU A 160 GLU~? A 44 ASP A 154 ASP~? A 50 THR A 152 THR~? ULMNm 3 1pyi_d00 PROTEIN (PYRIMIDINE PATHWAY REGULATOuser 5 3 RMSD = 1.42 A TRANSFORM -0.5211 -0.4037 -0.7520 -0.4874 0.8640 -0.1262 -0.7007 -0.3007 0.6470 142.406 50.326 105.379 A 40 LYS A 463 LYS~? A 41 LYS A 462 LYS~? A 42 ILE A 464 ILE.? ULMNm 3 1bs4_c02 PEPTIDE DEFORMYLASE user 7 3 RMSD = 1.43 A TRANSFORM 0.5541 -0.3254 -0.7662 -0.5004 0.6053 -0.6190 -0.6653 -0.7264 -0.1726 88.888 79.883 96.072 C1050 GLN A 328 GLN.? C1091 LEU A 325 LEU~? C1133 GLU A 331 GLU.? ULMNm 3 2dbt_c01 CHITINASE C user 2 3 RMSD = 1.43 A TRANSFORM 0.8033 -0.5521 -0.2232 0.5544 0.8302 -0.0583 -0.2175 0.0769 -0.9730 63.240 34.503 74.400 B 147 GLU A 131 GLU~? B 156 GLU A 254 GLU~? B 194 ASN A 181 ASN~? ULMNm 3 1vzx_c03 2.04.01.0087 user 5 3 RMSD = 1.44 A TRANSFORM -0.4646 0.3047 0.8314 0.6514 0.7536 0.0879 0.5998 -0.5824 0.5487 -38.945 -30.755 -30.517 B1314 TYR A 284 TYR.? B1317 GLU A 131 GLU~? B1365 ARG A 211 ARG~? ULMNm 3 1ula_c00 PURINE NUCLEOSIDE PHOSPHORYLASE (E.Cuser 1 3 RMSD = 1.44 A TRANSFORM -0.2820 0.9588 -0.0344 -0.9572 -0.2787 0.0780 -0.0652 -0.0550 -0.9964 -14.433 46.407 78.155 86 HIS A 207 HIS~? 89 GLU A 184 GLU~? 243 ASN A 256 ASN~? ULMNm 3 1r4f_c00 IAG-NUCLEOSIDE HYDROLASE user 2 3 RMSD = 1.44 A TRANSFORM -0.4493 0.2490 -0.8580 -0.1722 -0.9665 -0.1903 0.8766 -0.0623 -0.4771 107.612 78.656 49.858 A 10 ASP A 373 ASP.? A 186 ASN A 409 ASN~? A 260 ALA A 414 ALA~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 2 3 RMSD = 1.45 A TRANSFORM 0.9458 0.3115 0.0913 0.0764 -0.4868 0.8701 -0.3155 0.8160 0.4843 16.161 -21.182 -34.395 A 67 ASP A 138 ASP~? A 68 ALA A 139 ALA~? A 72 LEU A 247 LEU~? ULMNm 3 1amy_c06 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 1 3 RMSD = 1.45 A TRANSFORM 0.3435 -0.9320 -0.1159 -0.4136 -0.2610 0.8723 0.8432 0.2517 0.4751 14.272 15.424 -12.429 179 ASP A 292 ASP.? 227 GLU A 270 GLU~? 289 ASP A 296 ASP.? ULMNm 3 1bs4_c00 PEPTIDE DEFORMYLASE user 8 3 RMSD = 1.46 A TRANSFORM 0.7537 -0.6568 -0.0226 0.0232 0.0609 -0.9979 -0.6568 -0.7516 -0.0611 21.350 94.479 113.858 A 50 GLN A 328 GLN.? A 91 LEU A 325 LEU~? A 133 GLU A 331 GLU.? ULMNm 3 1bs4_c01 PEPTIDE DEFORMYLASE user 7 3 RMSD = 1.46 A TRANSFORM -0.0434 -0.2849 0.9576 -0.6780 0.7123 0.1812 0.7337 0.6414 0.2241 44.334 53.650 -0.283 B 550 GLN A 328 GLN.? B 591 LEU A 325 LEU~? B 633 GLU A 331 GLU.? ULMNm 3 1vzx_c02 2.04.01.0087 user 5 3 RMSD = 1.46 A TRANSFORM 0.4560 -0.3100 -0.8342 0.7216 0.6775 0.1427 -0.5209 0.6670 -0.5326 54.555 -35.966 73.284 A 314 TYR A 284 TYR.? A 317 GLU A 131 GLU~? A 365 ARG A 211 ARG~? ULMNm 3 1bs4_c01 PEPTIDE DEFORMYLASE user 3 3 RMSD = 1.46 A TRANSFORM -0.2722 0.6701 0.6906 0.8491 0.5050 -0.1553 0.4528 -0.5441 0.7064 31.970 28.578 7.764 B 550 GLN A 277 GLN~? B 591 LEU A 186 LEU~? B 633 GLU A 280 GLU~? ULMNm 3 1pyi_d00 PROTEIN (PYRIMIDINE PATHWAY REGULATOuser 2 3 RMSD = 1.46 A TRANSFORM 0.9919 -0.0600 0.1124 0.0146 -0.8229 -0.5680 -0.1266 -0.5650 0.8154 15.003 114.417 83.080 A 40 LYS A 275 LYS~? A 41 LYS A 272 LYS~? A 42 ILE A 274 ILE~? ULMNm 3 1bs4_c02 PEPTIDE DEFORMYLASE user 2 3 RMSD = 1.47 A TRANSFORM -0.4401 -0.8374 -0.3241 0.7079 -0.1015 -0.6990 -0.5524 0.5371 -0.6374 115.982 71.638 89.705 C1050 GLN A 277 GLN~? C1091 LEU A 186 LEU~? C1133 GLU A 280 GLU~? ULMNm 3 1amy_c01 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 1 3 RMSD = 1.47 A TRANSFORM -0.3319 -0.9408 0.0685 0.6086 -0.1581 0.7776 0.7207 -0.2997 -0.6251 43.286 -24.285 77.622 179 ASP A 457 ASP^? 214 ASP A 342 ASP.? 289 ASP A 365 ASP^? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 1 3 RMSD = 1.47 A TRANSFORM 0.0920 0.8727 -0.4795 -0.0516 0.4850 0.8730 -0.9944 0.0555 -0.0896 36.836 -57.195 34.875 A 67 ASP A 138 ASP~? A 68 ALA A 139 ALA~? A 72 LEU A 142 LEU~? ULMNm 3 2dbt_c02 CHITINASE C user 1 3 RMSD = 1.47 A TRANSFORM 0.6389 -0.5563 0.5314 -0.6961 -0.7120 0.0917 -0.3273 0.4285 0.8422 17.460 54.694 -43.480 C 147 GLU A 131 GLU~? C 156 GLU A 254 GLU~? C 194 ASN A 181 ASN~? ULMNm 3 1fdy_c02 N-ACETYLNEURAMINATE LYASE user 6 3 RMSD = 1.48 A TRANSFORM -0.8633 0.4929 -0.1084 0.1514 0.0481 -0.9873 0.4814 0.8688 0.1161 7.780 2.952 -81.393 C 137 TYR A 349 TYR^? C 142 LEU A 345 LEU.? C 165 LYS A 338 LYS.? ULMNm 3 1bs4_c00 PEPTIDE DEFORMYLASE user 3 3 RMSD = 1.48 A TRANSFORM -0.8121 -0.4772 0.3359 0.0604 -0.6413 -0.7649 -0.5804 0.6009 -0.5496 45.223 108.887 106.490 A 50 GLN A 277 GLN~? A 91 LEU A 186 LEU~? A 133 GLU A 280 GLU~? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 1 3 RMSD = 1.49 A TRANSFORM 0.7993 -0.4271 -0.4227 -0.0420 0.6620 -0.7484 -0.5994 -0.6159 -0.5112 17.165 17.933 211.137 C 70 ALA A 200 ALA~? C 126 LEU A 203 LEU~? C 158 GLU A 183 GLU~?