*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1bqc_c01 BETA-MANNANASE user 1 3 RMSD = 0.88 A TRANSFORM 0.9242 0.1418 0.3546 -0.3579 0.6455 0.6748 0.1332 0.7505 -0.6473 66.232 -64.115 16.064 A 50 ARG A 83 ARG~? A 128 GLU A 2 GLU.? A 225 GLU A 9 GLU~? ULMNm 3 1fhl_c00 BETA-1,4-GALACTANASE user 1 3 RMSD = 1.04 A TRANSFORM 0.9300 -0.1854 -0.3175 0.3669 0.5222 0.7699 -0.0230 0.8324 -0.5536 89.104 -11.109 91.486 A 45 ARG A 83 ARG~? A 136 GLU A 2 GLU.? A 246 GLU A 9 GLU~? ULMNm 3 1fob_c00 BETA-1,4-GALACTANASE user 1 3 RMSD = 1.04 A TRANSFORM 0.9162 -0.2254 -0.3314 0.4007 0.5361 0.7430 -0.0102 0.8135 -0.5814 91.195 -9.171 94.028 A 45 ARG A 83 ARG~? A 136 GLU A 2 GLU.? A 246 GLU A 9 GLU~? ULMNm 3 1xpx_d00 TRANSCRIPTION REGULATION/DNA user 1 3 RMSD = 1.12 A TRANSFORM -0.7838 -0.5185 -0.3417 0.4829 -0.8549 0.1897 0.3905 0.0163 -0.9204 52.534 54.442 -69.168 A1290 LYS A 61 LYS~? A1294 ASN A 58 ASN~? A1297 GLU A 54 GLU~? ULMNm 3 1vom_c00 MYOSIN user 1 3 RMSD = 1.16 A TRANSFORM 0.5014 -0.8094 -0.3056 0.2899 0.4900 -0.8221 -0.8152 -0.3236 -0.4803 138.919 50.917 -34.185 233 ASN A 97 ASN~? 457 GLY A 102 GLY~? 459 GLU A 103 GLU~? ULMNm 3 1xs1_c10 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 1 3 RMSD = 1.18 A TRANSFORM 0.3759 0.7769 0.5051 0.4767 0.3053 -0.8243 0.7946 -0.5506 0.2557 -54.769 61.155 124.488 E 124 ALA A 8 ALA~? E 126 ARG A 10 ARG~? E 138 GLU A 2 GLU.? ULMNm 3 1amy_c01 ALPHA-1,4 GLYCAN-4-GLUCANOHYDROLASE user 1 3 RMSD = 1.21 A TRANSFORM 0.9955 0.0763 0.0562 0.0883 -0.9616 -0.2600 -0.0342 -0.2637 0.9640 37.354 121.927 -27.631 179 ASP A 67 ASP~? 214 ASP A 44 ASP~? 289 ASP A 156 ASP~? ULMNm 3 1xs1_c09 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 1 3 RMSD = 1.21 A TRANSFORM 0.1860 -0.0848 -0.9789 -0.4869 -0.8733 -0.0169 0.8534 -0.4798 0.2037 67.605 22.938 126.891 D 124 ALA A 8 ALA~? D 126 ARG A 10 ARG~? D 138 GLU A 2 GLU.? ULMNm 3 1xs1_c08 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 1 3 RMSD = 1.22 A TRANSFORM 0.3609 0.7736 0.5208 -0.4737 -0.3290 0.8169 -0.8034 0.5415 -0.2477 -56.145 -56.646 -42.628 C 124 ALA A 8 ALA~? C 126 ARG A 10 ARG~? C 138 GLU A 2 GLU.? ULMNm 3 1xs1_c11 DEOXYCYTIDINE TRIPHOSPHATE DEAMINASEuser 1 3 RMSD = 1.28 A TRANSFORM -0.5554 -0.6749 0.4859 0.1515 0.4924 0.8571 0.8177 -0.5496 0.1712 -27.782 -65.702 130.608 F 124 ALA A 8 ALA~? F 126 ARG A 10 ARG~? F 138 GLU A 2 GLU.? ULMNm 3 1euu_c00 SIALIDASE user 2 3 RMSD = 1.28 A TRANSFORM 0.0540 0.5850 0.8092 0.0892 0.8043 -0.5875 0.9945 -0.1039 0.0088 -64.336 -2.607 66.128 92 ASP A 156 ASP~? 260 GLU A 163 GLU~? 370 TYR A 70 TYR~? ULMNm 3 1euu_c00 SIALIDASE user 1 3 RMSD = 1.30 A TRANSFORM -0.9176 -0.3818 -0.1108 0.3473 -0.6341 -0.6909 -0.1936 0.6724 -0.7144 -15.319 76.962 24.049 92 ASP A 15 ASP~? 260 GLU A 119 GLU~? 370 TYR A 72 TYR~? ULMNm 3 1r4f_c00 IAG-NUCLEOSIDE HYDROLASE user 1 3 RMSD = 1.31 A TRANSFORM -0.5515 0.6544 -0.5173 0.1838 -0.5096 -0.8405 0.8137 0.5586 -0.1608 -9.467 103.543 34.177 A 10 ASP A 167 ASP~? A 186 ASN A 74 ASN~? A 260 ALA A 79 ALA~? ULMNm 3 1sll_c00 SIALIDASE L user 2 3 RMSD = 1.33 A TRANSFORM 0.5467 0.8371 0.0194 -0.1387 0.1134 -0.9838 0.8257 -0.5352 -0.1781 -4.759 60.874 97.834 318 ASP A 156 ASP~? 595 GLU A 163 GLU~? 713 TYR A 70 TYR~? ULMNm 3 1a50_c03 TRYPTOPHAN SYNTHASE user 2 3 RMSD = 1.34 A TRANSFORM -0.6742 0.6861 0.2734 -0.0012 0.3692 -0.9293 0.7386 0.6268 0.2481 -36.223 64.190 5.997 A 49 GLU A 119 GLU~? A 60 ASP A 15 ASP~? A 175 TYR A 72 TYR~? ULMNm 3 2v3r_p00 EXOGLUCANASE 1 user 1 3 RMSD = 1.36 A TRANSFORM -0.4815 -0.1431 0.8647 0.8704 -0.1938 0.4526 -0.1028 -0.9705 -0.2179 -50.803 85.569 156.992 A 270 ASN A 71 ASN~? A 384 ASN A 6 ASN~? A 385 GLU A 9 GLU~? ULMNm 3 2v3r_p00 EXOGLUCANASE 1 user 2 3 RMSD = 1.37 A TRANSFORM 0.8925 0.3500 0.2846 0.0975 0.4663 -0.8792 0.4405 -0.8124 -0.3820 4.645 110.934 178.378 A 270 ASN A 143 ASN~? A 384 ASN A 58 ASN~? A 385 GLU A 54 GLU~? ULMNm 3 1pbg_c00 6-PHOSPHO-BETA-D-GALACTOSIDASE user 1 3 RMSD = 1.39 A TRANSFORM -0.8653 -0.4412 -0.2378 0.4161 -0.3681 -0.8315 -0.2793 0.8184 -0.5021 50.141 93.363 -7.431 A 160 GLU A 2 GLU.? A 297 ASN A 6 ASN~? A 375 GLU A 9 GLU~? ULMNm 3 1qho_c05 ALPHA-AMYLASE user 1 3 RMSD = 1.39 A TRANSFORM 0.5198 -0.8119 0.2656 0.8534 0.4791 -0.2054 -0.0395 -0.3334 -0.9419 59.183 88.686 126.432 A 228 ASP A 41 ASP~? A 261 ASP A 141 ASP~? A 329 ASP A 47 ASP~? ULMNm 3 1pbg_c01 6-PHOSPHO-BETA-D-GALACTOSIDASE user 1 3 RMSD = 1.39 A TRANSFORM -0.8689 -0.4390 -0.2287 -0.1245 -0.2533 0.9593 0.4791 -0.8620 -0.1655 9.149 -19.433 170.632 B 160 GLU A 2 GLU.? B 297 ASN A 6 ASN~? B 375 GLU A 9 GLU~? ULMNm 3 1bu7_c02 CYTOCHROME P450 user 1 3 RMSD = 1.41 A TRANSFORM -0.0601 -0.4981 -0.8650 0.9974 -0.0640 -0.0325 0.0391 0.8647 -0.5007 113.850 119.474 30.552 A 268 THR A 116 THR~? A 393 PHE A 5 PHE.? A 400 CYH A 84 CYH~? ULMNm 3 1cbg_c00 CYANOGENIC BETA-GLUCOSIDASE user 1 3 RMSD = 1.41 A TRANSFORM 0.9909 0.0405 -0.1286 -0.0709 0.9679 -0.2412 -0.1147 -0.2481 -0.9619 100.497 -14.476 137.294 183 GLU A 2 GLU.? 324 ASN A 6 ASN~? 397 GLU A 9 GLU~? ULMNm 3 1dub_c15 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.41 A TRANSFORM -0.3492 0.4745 0.8080 0.3578 -0.7294 0.5830 -0.8660 -0.4927 -0.0849 6.362 113.083 119.185 D 141 GLY A 4 GLY.? D 144 GLU A 87 GLU~? D 164 GLU A 9 GLU~? ULMNm 3 1geq_c02 TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT user 1 3 RMSD = 1.42 A TRANSFORM 0.3787 -0.7795 -0.4989 0.9150 0.2344 0.3283 0.1389 0.5809 -0.8021 123.837 27.498 98.152 A 36 GLU A 119 GLU~? A 47 ASP A 15 ASP~? A 161 TYR A 72 TYR~? ULMNm 3 1geq_c03 TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT user 1 3 RMSD = 1.42 A TRANSFORM -0.8736 -0.2702 -0.4047 -0.4596 0.7314 0.5038 -0.1599 -0.6261 0.7632 52.958 -52.663 32.542 B 36 GLU A 119 GLU~? B 47 ASP A 15 ASP~? B 161 TYR A 72 TYR~? ULMNm 3 1bu7_c03 CYTOCHROME P450 user 1 3 RMSD = 1.44 A TRANSFORM 0.0784 0.3976 0.9142 -0.9325 -0.2950 0.2083 -0.3525 0.8688 -0.3476 -27.870 78.453 13.697 B 268 THR A 116 THR~? B 393 PHE A 5 PHE.? B 400 CYH A 84 CYH~? ULMNm 3 1dub_c14 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.44 A TRANSFORM 0.1801 -0.5646 -0.8055 -0.3246 0.7389 -0.5905 -0.9286 -0.3678 0.0502 132.260 73.660 106.142 C 141 GLY A 4 GLY.? C 144 GLU A 87 GLU~? C 164 GLU A 9 GLU~? ULMNm 3 1xqd_c02 CYTOCHROME P450 55A1 user 1 3 RMSD = 1.45 A TRANSFORM -0.7455 0.0620 -0.6636 -0.1738 -0.9793 0.1037 0.6435 -0.1926 -0.7408 10.557 55.753 98.305 A 243 THR A 116 THR~? A 345 PHE A 5 PHE.? A 352 CYH A 84 CYH~? ULMNm 3 1dub_c17 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.46 A TRANSFORM -0.7351 -0.2123 -0.6438 0.1543 -0.9772 0.1460 0.6601 -0.0080 -0.7511 59.675 125.673 222.806 F 141 GLY A 4 GLY.? F 144 GLU A 87 GLU~? F 164 GLU A 9 GLU~? ULMNm 3 1dub_c16 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.48 A TRANSFORM 0.7115 0.5329 -0.4580 0.6566 -0.7363 0.1634 0.2502 0.4170 0.8738 117.785 147.865 121.626 E 141 GLY A 4 GLY.? E 144 GLU A 87 GLU~? E 164 GLU A 9 GLU~? ULMNm 3 1nww_c03 LIMONENE-1,2-EPOXIDE HYDROLASE user 2 3 RMSD = 1.49 A TRANSFORM 0.0396 -0.4584 -0.8879 -0.2526 0.8551 -0.4528 -0.9668 -0.2422 0.0819 109.724 -0.453 -6.518 B 99 ARG A 51 ARG~? B 101 ASP A 47 ASP~? B 132 ASP A 41 ASP~? ULMNm 3 1m53_c05 ISOMALTULOSE SYNTHASE user 1 3 RMSD = 1.49 A TRANSFORM -0.8068 -0.4260 0.4095 -0.5711 0.7399 -0.3555 0.1516 0.5206 0.8402 -21.816 -4.036 11.164 A 241 ASP A 118 ASP~? A 265 GLU A 163 GLU~? A 369 ASP A 125 ASP~? ULMNm 3 1nww_c02 LIMONENE-1,2-EPOXIDE HYDROLASE user 2 3 RMSD = 1.50 A TRANSFORM -0.0424 0.4473 0.8934 0.1599 -0.8796 0.4480 -0.9862 -0.1618 0.0342 -86.810 25.098 -7.303 A 99 ARG A 51 ARG~? A 101 ASP A 47 ASP~? A 132 ASP A 41 ASP~? ULMNm 3 1akd_c01 CYTOCHROME P450CAM user 1 3 RMSD = 1.50 A TRANSFORM 0.6776 -0.5475 0.4910 -0.7299 -0.4188 0.5402 0.0901 0.7245 0.6834 46.870 -20.844 -53.115 252 THR A 116 THR~? 350 PHE A 5 PHE.? 357 CYH A 84 CYH~? ULMNm 3 2amg_c06 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLAuser 2 3 RMSD = 1.50 A TRANSFORM -0.4935 0.3493 0.7965 0.6775 0.7287 0.1002 0.5454 -0.5891 0.5962 -67.786 80.082 -2.152 193 ASP A 47 ASP~? 231 ASP A 155 ASP~? 294 ASP A 41 ASP~?