*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1r4f_c00 IAG-NUCLEOSIDE HYDROLASE user 3 3 RMSD = 0.99 A TRANSFORM 0.6248 0.7282 0.2817 0.0723 -0.4133 0.9077 0.7774 -0.5468 -0.3109 -95.779 -19.782 8.784 A 10 ASP A 287 ASP.? A 186 ASN A 124 ASN~? A 260 ALA A 165 ALA~? ULMNm 3 1o98_c00 2,3-BISPHOSPHOGLYCERATE-INDEPENDENT user 1 3 RMSD = 1.02 A TRANSFORM -0.7153 0.2270 0.6610 -0.4685 0.5460 -0.6945 -0.5185 -0.8064 -0.2842 19.062 124.022 106.114 A 62 SER A 65 SER~? A 154 ASP A 59 ASP~? A 261 ARG A 66 ARG~? ULMNm 3 1ddj_c15 PLASMINOGEN user 1 3 RMSD = 1.16 A TRANSFORM -0.3499 0.7471 -0.5651 0.8383 0.5190 0.1670 0.4181 -0.4153 -0.8079 -18.105 -79.503 72.051 D 603 HIS A 46 HIS~? D 646 ASP A 49 ASP~? D 739 GLY A 37 GLY.? ULMNm 3 1c82_c02 HYALURONATE LYASE user 1 3 RMSD = 1.19 A TRANSFORM -0.1178 -0.2582 -0.9589 -0.3809 0.9035 -0.1965 0.9171 0.3421 -0.2048 98.770 -41.369 -38.382 A 399 HIS A 93 HIS~? A 408 TYR A 128 TYR~? A 480 ARG A 144 ARG~? ULMNm 3 2gsa_c04 GLUTAMATE SEMIALDEHYDE AMINOTRANSFERuser 1 3 RMSD = 1.26 A TRANSFORM 0.0718 0.9190 0.3877 -0.8767 0.2436 -0.4149 -0.4757 -0.3101 0.8231 -83.566 91.814 -16.842 A 157 PHE A 29 PHE~? A 245 ASP A 49 ASP~? A 273 LYS A 56 LYS~? ULMNm 3 1vq1_c00 N5-GLUTAMINE METHYLTRANSFERASE, HEMKuser 6 3 RMSD = 1.27 A TRANSFORM 0.2815 0.3641 0.8878 0.0810 -0.9309 0.3561 0.9561 -0.0284 -0.2916 -101.437 8.315 -34.940 A 100 PHE A 227 PHE~? A 197 ASN A 224 ASN~? A 198 PRO A 222 PRO~? ULMNm 3 2bhg_c02 FOOT-AND-MOUTH DISEASE VIRUS 3C PROTuser 3 3 RMSD = 1.28 A TRANSFORM 0.0262 0.1448 -0.9891 -0.4205 -0.8961 -0.1423 -0.9069 0.4196 0.0374 89.297 99.205 41.546 B 46 HIS A 127 HIS~? B 163 ALA A 165 ALA~? B 182 SER A 161 SER~? ULMNm 3 1aql_c03 BILE-SALT ACTIVATED LIPASE user 2 3 RMSD = 1.28 A TRANSFORM 0.8031 -0.5743 0.1588 0.5676 0.6561 -0.4974 0.1815 0.4896 0.8528 -2.816 24.862 -88.478 B 194 SER A 161 SER~? B 292 ASP A 94 ASP~? B 322 HIS A 280 HIS~? ULMNm 3 1vq1_c01 N5-GLUTAMINE METHYLTRANSFERASE, HEMKuser 6 3 RMSD = 1.29 A TRANSFORM 0.8073 0.2743 0.5225 -0.0846 0.9300 -0.3576 -0.5840 0.2445 0.7740 -107.450 -24.496 -15.251 B 100 PHE A 227 PHE~? B 197 ASN A 224 ASN~? B 198 PRO A 222 PRO~? ULMNm 3 1mas_c00 INOSINE-URIDINE NUCLEOSIDE N-RIBOHYDuser 1 3 RMSD = 1.30 A TRANSFORM 0.6685 -0.6971 0.2592 -0.6239 -0.7153 -0.3148 0.4048 0.0487 -0.9131 -36.084 100.578 39.558 A 10 ASP A 233 ASP~? A 168 ASN A 6 ASN.? A 241 HIS A 11 HIS.? ULMNm 3 1ddj_c14 PLASMINOGEN user 1 3 RMSD = 1.31 A TRANSFORM -0.4951 -0.3769 0.7828 -0.1138 -0.8651 -0.4885 0.8614 -0.3309 0.3854 43.274 147.157 -14.014 C 603 HIS A 46 HIS~? C 646 ASP A 49 ASP~? C 739 GLY A 37 GLY.? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 4 3 RMSD = 1.32 A TRANSFORM 0.8897 0.2132 0.4038 -0.0786 0.9426 -0.3246 -0.4498 0.2570 0.8554 -109.233 -36.524 115.502 C 70 ALA A 72 ALA.? C 126 LEU A 71 LEU~? C 158 GLU A 68 GLU~? ULMNm 3 1pj5_c00 N,N-DIMETHYLGLYCINE OXIDASE user 4 3 RMSD = 1.34 A TRANSFORM 0.3081 0.6426 -0.7015 0.9511 -0.1910 0.2427 0.0220 -0.7420 -0.6701 13.551 4.443 119.679 A 225 HIS A 280 HIS~? A 259 TYR A 239 TYR~? A 552 ASP A 49 ASP~? ULMNm 3 2wwt_o04 INTRACELLULAR SUBTILISIN PROTEASE user 2 3 RMSD = 1.34 A TRANSFORM 0.9903 0.1387 0.0042 -0.0264 0.1588 0.9870 0.1362 -0.9775 0.1609 -114.835 -41.915 63.785 E 49 ASP A 94 ASP~? E 86 HIS A 93 HIS~? E 250 ALA A 104 ALA~? ULMNm 3 1ddj_c12 PLASMINOGEN user 1 3 RMSD = 1.34 A TRANSFORM -0.5195 -0.4211 0.7435 -0.0456 -0.8553 -0.5162 0.8532 -0.3021 0.4251 52.737 142.804 -80.303 A 603 HIS A 46 HIS~? A 646 ASP A 49 ASP~? A 739 GLY A 37 GLY.? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 4 3 RMSD = 1.36 A TRANSFORM -0.4160 -0.8957 0.1568 0.7977 -0.2767 0.5358 -0.4366 0.3480 0.8296 74.792 -52.187 109.492 A 70 ALA A 72 ALA.? A 126 LEU A 71 LEU~? A 158 GLU A 68 GLU~? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 4 3 RMSD = 1.37 A TRANSFORM -0.5220 0.7156 -0.4641 -0.7607 -0.6367 -0.1263 -0.3859 0.2871 0.8767 -3.748 116.008 107.964 B 70 ALA A 72 ALA.? B 126 LEU A 71 LEU~? B 158 GLU A 68 GLU~? ULMNm 3 2dbt_c01 CHITINASE C user 4 3 RMSD = 1.37 A TRANSFORM -0.5209 0.8450 0.1211 -0.2258 -0.2732 0.9351 0.8232 0.4597 0.3331 51.744 16.914 -111.354 B 147 GLU A 257 GLU~? B 156 GLU A 273 GLU~? B 194 ASN A 269 ASN.? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 11 3 RMSD = 1.38 A TRANSFORM 0.2424 0.9456 -0.2170 -0.7694 0.0511 -0.6368 -0.5910 0.3214 0.7399 -48.981 119.037 123.576 C 70 ALA A 249 ALA~? C 126 LEU A 251 LEU~? C 158 GLU A 273 GLU~? ULMNm 3 1ddj_c13 PLASMINOGEN user 1 3 RMSD = 1.38 A TRANSFORM -0.3322 0.8766 -0.3482 0.9123 0.3924 0.1175 0.2397 -0.2786 -0.9300 -36.841 -72.583 21.268 B 603 HIS A 46 HIS~? B 646 ASP A 49 ASP~? B 739 GLY A 37 GLY.? ULMNm 3 1bib_c00 BIRA BIFUNCTIONAL PROTEIN (ACTS AS Buser 2 3 RMSD = 1.39 A TRANSFORM 0.8406 -0.4646 0.2785 -0.1977 0.2155 0.9563 -0.5043 -0.8589 0.0893 24.949 40.932 147.412 118 ARG A 288 ARG.? 183 LYS A 158 LYS~? 317 ARG A 144 ARG~? ULMNm 3 1qe3_c00 PARA-NITROBENZYL ESTERASE user 1 3 RMSD = 1.39 A TRANSFORM -0.3107 -0.8931 0.3255 0.9505 -0.2923 0.1054 0.0010 0.3421 0.9397 71.052 -30.743 -29.717 A 189 SER A 82 SER~? A 310 GLU A 196 GLU.? A 399 HIS A 11 HIS.? ULMNm 3 2ace_c00 ACETYLCHOLINESTERASE user 1 3 RMSD = 1.40 A TRANSFORM -0.5699 -0.0353 0.8210 0.1052 -0.9940 0.0303 0.8150 0.1037 0.5701 5.667 122.527 -56.890 200 SER A 82 SER~? 327 GLU A 196 GLU.? 440 HIS A 11 HIS.? ULMNm 3 1pjh_c00 ENOYL-COA ISOMERASE; ECI1P user 10 3 RMSD = 1.40 A TRANSFORM 0.4916 -0.4912 0.7191 0.5776 0.8019 0.1528 -0.6517 0.3402 0.6779 -88.099 -77.437 132.695 A 70 ALA A 249 ALA~? A 126 LEU A 251 LEU~? A 158 GLU A 273 GLU~? ULMNm 3 1ef8_c01 METHYLMALONYL COA DECARBOXYLASE user 1 3 RMSD = 1.40 A TRANSFORM 0.6669 -0.3569 -0.6541 -0.6062 0.2507 -0.7548 0.4333 0.8999 -0.0491 11.803 117.707 -92.343 B 66 HIS A 33 HIS~? B 110 GLY A 37 GLY.? B 140 TYR A 32 TYR~? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 9 3 RMSD = 1.41 A TRANSFORM -0.8022 -0.4171 -0.4272 0.1331 -0.8224 0.5531 -0.5820 0.3868 0.7153 101.092 -12.570 122.468 B 70 ALA A 249 ALA~? B 126 LEU A 251 LEU~? B 158 GLU A 273 GLU~? ULMNm 3 1pj5_c00 N,N-DIMETHYLGLYCINE OXIDASE user 3 3 RMSD = 1.41 A TRANSFORM 0.6259 0.6148 -0.4799 0.7644 -0.3612 0.5341 0.1550 -0.7011 -0.6960 -31.243 3.709 108.627 A 225 HIS A 280 HIS~? A 259 TYR A 239 TYR~? A 552 ASP A 38 ASP.? ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 3 3 RMSD = 1.42 A TRANSFORM -0.1845 -0.9328 0.3095 -0.9381 0.2610 0.2277 -0.2932 -0.2483 -0.9232 82.813 84.000 116.565 A 229 ALA A 225 ALA~? A 257 ALA A 228 ALA~? A 328 ASP A 233 ASP~? ULMNm 3 1cqt_d00 GENE REGULATION/DNA user 2 3 RMSD = 1.43 A TRANSFORM 0.1279 0.8727 0.4712 0.9882 -0.0714 -0.1358 -0.0849 0.4830 -0.8715 -64.739 -50.623 63.510 I 303 TYR A 256 TYR~? I 306 VAL A 259 VAL~? I 308 VAL A 263 VAL~? ULMNm 3 1mbb_c00 URIDINE DIPHOSPHO-N-ACETYLENOLPYRUVYuser 1 3 RMSD = 1.44 A TRANSFORM 0.0385 -0.8190 0.5725 -0.9964 -0.0751 -0.0405 0.0762 -0.5689 -0.8189 1.123 99.625 118.130 159 ARG A 159 ARG~? 229 SER A 182 SER.? 325 GLU A 156 GLU~? ULMNm 3 2wwt_o05 INTRACELLULAR SUBTILISIN PROTEASE user 2 3 RMSD = 1.44 A TRANSFORM -0.6865 -0.0960 -0.7208 -0.7070 -0.1435 0.6925 -0.1699 0.9850 0.0307 15.015 26.696 -19.058 F 49 ASP A 94 ASP~? F 86 HIS A 93 HIS~? F 250 ALA A 104 ALA~? ULMNm 3 1h19_c00 LEUKOTRIENE A-4 HYDROLASE user 5 3 RMSD = 1.45 A TRANSFORM -0.9337 -0.3418 -0.1064 -0.1283 0.0421 0.9908 -0.3342 0.9388 -0.0831 140.122 -73.299 -12.441 A 271 GLN A 285 GLN.? A 296 GLU A 284 GLU.? A 383 TYR A 239 TYR~? ULMNm 3 1aql_c03 BILE-SALT ACTIVATED LIPASE user 4 3 RMSD = 1.45 A TRANSFORM 0.7297 0.6472 -0.2206 -0.6341 0.7613 0.1358 0.2558 0.0408 0.9659 -38.328 62.496 -87.265 B 194 SER A 182 SER.? B 292 ASP A 118 ASP.? B 322 HIS A 243 HIS.? ULMNm 3 1aql_c02 BILE-SALT ACTIVATED LIPASE user 3 3 RMSD = 1.45 A TRANSFORM 0.6094 0.4435 0.6572 -0.1011 -0.7787 0.6192 0.7864 -0.4438 -0.4297 -89.680 40.939 40.520 A 194 SER A 161 SER~? A 292 ASP A 94 ASP~? A 322 HIS A 280 HIS~? ULMNm 3 1cns_c01 CHITINASE user 3 3 RMSD = 1.46 A TRANSFORM -0.5741 0.8119 0.1058 0.7817 0.5050 0.3660 0.2437 0.2928 -0.9246 3.983 -135.696 90.779 B 67 GLU A 284 GLU.? B 89 GLU A 153 GLU.? B 120 SER A 182 SER.? ULMNm 3 2wwt_o01 INTRACELLULAR SUBTILISIN PROTEASE user 2 3 RMSD = 1.46 A TRANSFORM -0.9895 -0.1443 0.0030 -0.0141 0.1169 0.9930 -0.1437 0.9826 -0.1177 52.856 -73.492 -5.514 B 49 ASP A 94 ASP~? B 86 HIS A 93 HIS~? B 250 ALA A 104 ALA~? ULMNm 3 2dbt_c02 CHITINASE C user 4 3 RMSD = 1.46 A TRANSFORM -0.9100 0.3088 -0.2769 0.3250 0.1162 -0.9386 -0.2576 -0.9440 -0.2061 141.664 72.644 95.105 C 147 GLU A 257 GLU~? C 156 GLU A 273 GLU~? C 194 ASN A 269 ASN.? ULMNm 3 1hto_c00 GLUTAMINE SYNTHETASE user 1 3 RMSD = 1.47 A TRANSFORM 0.5234 0.7414 0.4201 -0.0554 0.5215 -0.8514 -0.8503 0.4223 0.3140 -38.874 73.124 154.827 A 50 ASP A 38 ASP.? A 327 GLU A 113 GLU~? A 339 ARG A 144 ARG~? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 5 3 RMSD = 1.48 A TRANSFORM -0.3099 -0.2320 0.9220 -0.2026 0.9636 0.1744 -0.9289 -0.1327 -0.3457 -13.074 -59.450 258.506 C 70 ALA A 72 ALA.? C 126 LEU A 71 LEU~? C 158 GLU A 70 GLU~? ULMNm 3 1aql_c02 BILE-SALT ACTIVATED LIPASE user 5 3 RMSD = 1.49 A TRANSFORM 0.2763 0.4754 0.8352 0.9300 -0.3516 -0.1076 0.2425 0.8065 -0.5393 -88.759 -8.256 23.092 A 194 SER A 182 SER.? A 292 ASP A 118 ASP.? A 322 HIS A 243 HIS.? ULMNm 3 2wwt_o03 INTRACELLULAR SUBTILISIN PROTEASE user 2 3 RMSD = 1.49 A TRANSFORM -0.6790 -0.0574 0.7319 -0.7040 -0.2319 -0.6713 0.2082 -0.9710 0.1171 41.451 49.769 33.526 D 49 ASP A 94 ASP~? D 86 HIS A 93 HIS~? D 250 ALA A 104 ALA~? ULMNm 3 1thg_c00 LIPASE (E.C.3.1.1.3) TRIACYLGLYCEROLuser 1 3 RMSD = 1.49 A TRANSFORM 0.0169 0.1387 -0.9902 -0.9244 0.3796 0.0374 0.3811 0.9147 0.1346 102.074 64.703 -103.180 217 SER A 82 SER~? 354 GLU A 196 GLU.? 463 HIS A 11 HIS.?