*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 6 3 RMSD = 0.90 A TRANSFORM -0.7235 -0.5756 -0.3812 -0.6797 0.6906 0.2473 0.1209 0.4380 -0.8908 -19.311 23.065 35.596 141 ASP B 70 ASP^? 166 GLY B 92 GLY~? 169 GLU B 98 GLU~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 3 3 RMSD = 1.04 A TRANSFORM 0.7286 0.5737 -0.3741 0.6712 -0.7068 0.2233 -0.1364 -0.4138 -0.9001 25.073 5.998 12.619 141 ASP A 70 ASP^? 166 GLY A 92 GLY~? 169 GLU A 98 GLU~? ULMNm 3 1amo_c00 NADPH-CYTOCHROME P450 REDUCTASE user 1 3 RMSD = 1.10 A TRANSFORM 0.9870 -0.1605 0.0106 0.0305 0.1220 -0.9921 0.1580 0.9795 0.1253 5.575 45.289 53.817 A 457 SER B 24 SER.? A 630 CYH B 33 CYH~? A 675 ASP B 30 ASP~? ULMNm 3 1amo_c01 NADPH-CYTOCHROME P450 REDUCTASE user 1 3 RMSD = 1.10 A TRANSFORM -0.9733 0.2296 0.0017 -0.0508 -0.2226 0.9736 0.2239 0.9475 0.2283 47.906 -22.333 48.783 B 457 SER B 24 SER.? B 630 CYH B 33 CYH~? B 675 ASP B 30 ASP~? ULMNm 3 1qho_c05 ALPHA-AMYLASE user 2 3 RMSD = 1.17 A TRANSFORM 0.7993 -0.3788 0.4664 0.5862 0.6620 -0.4670 -0.1319 0.6467 0.7512 12.712 123.848 30.924 A 228 ASP B 60 ASP^? A 261 ASP B 30 ASP~? A 329 ASP B 63 ASP~? ULMNm 3 1ct9_c05 ASPARAGINE SYNTHETASE B user 2 3 RMSD = 1.22 A TRANSFORM -0.1057 0.2724 0.9564 0.3698 0.9035 -0.2164 -0.9231 0.3308 -0.1963 28.395 45.060 23.797 B 1 ALA A 88 ALA~? B 74 ASN B 42 ASN~? B 75 GLY A 92 GLY~? ULMNm 3 2qv4_p00 PANCREATIC ALPHA-AMYLASE user 2 3 RMSD = 1.22 A TRANSFORM 0.6247 0.3338 -0.7059 0.7803 -0.3024 0.5475 -0.0307 -0.8928 -0.4493 53.754 89.927 -4.239 A 459 ASN A 95 ASN~? A 460 GLY A 92 GLY~? A 461 ASN B 42 ASN~? ULMNm 3 1ct9_c04 ASPARAGINE SYNTHETASE B user 2 3 RMSD = 1.24 A TRANSFORM -0.7242 -0.2023 0.6592 0.6794 -0.0456 0.7324 -0.1181 0.9783 0.1705 -28.368 60.554 140.701 A 1 ALA A 88 ALA~? A 74 ASN B 42 ASN~? A 75 GLY A 92 GLY~? ULMNm 3 1ct9_c05 ASPARAGINE SYNTHETASE B user 4 3 RMSD = 1.25 A TRANSFORM 0.1370 -0.3030 0.9431 -0.3407 -0.9084 -0.2424 0.9301 -0.2881 -0.2277 17.745 -6.260 31.296 B 1 ALA B 88 ALA~? B 74 ASN A 42 ASN~? B 75 GLY B 92 GLY~? ULMNm 3 1ct9_c06 ASPARAGINE SYNTHETASE B user 2 3 RMSD = 1.26 A TRANSFORM -0.3079 0.2493 -0.9182 -0.9391 -0.2347 0.2512 -0.1529 0.9396 0.3064 31.826 -9.057 50.919 C 1 ALA A 88 ALA~? C 74 ASN B 42 ASN~? C 75 GLY A 92 GLY~? ULMNm 3 2qv4_p00 PANCREATIC ALPHA-AMYLASE user 1 3 RMSD = 1.27 A TRANSFORM 0.7273 -0.5318 0.4338 0.6258 0.2544 -0.7373 0.2817 0.8077 0.5179 -1.163 119.939 16.774 A 459 ASN A 42 ASN~? A 460 GLY B 92 GLY~? A 461 ASN B 95 ASN~? ULMNm 3 1ct9_c04 ASPARAGINE SYNTHETASE B user 4 3 RMSD = 1.27 A TRANSFORM 0.7306 0.2057 0.6511 -0.6641 -0.0075 0.7476 0.1587 -0.9786 0.1311 -1.312 45.443 97.769 A 1 ALA B 88 ALA~? A 74 ASN A 42 ASN~? A 75 GLY B 92 GLY~? ULMNm 3 1ct9_c06 ASPARAGINE SYNTHETASE B user 4 3 RMSD = 1.29 A TRANSFORM 0.2962 -0.2034 -0.9332 0.9350 0.2610 0.2400 0.1948 -0.9437 0.2675 28.302 25.061 10.583 C 1 ALA B 88 ALA~? C 74 ASN A 42 ASN~? C 75 GLY B 92 GLY~? ULMNm 3 1cns_c00 CHITINASE user 6 3 RMSD = 1.29 A TRANSFORM 0.6359 0.7713 0.0262 -0.5256 0.4577 -0.7171 -0.5651 0.4422 0.6965 -3.997 50.833 56.262 A 67 GLU B 102 GLU.? A 89 GLU B 26 GLU~? A 120 SER B 0 SER.? ULMNm 3 1ct9_c05 ASPARAGINE SYNTHETASE B user 3 3 RMSD = 1.31 A TRANSFORM 0.1354 0.7918 0.5957 -0.0470 0.6056 -0.7943 -0.9897 0.0795 0.1192 52.754 43.512 10.191 B 1 ALA B 46 ALA~? B 74 ASN B 42 ASN~? B 75 GLY A 92 GLY~? ULMNm 3 1ct9_c04 ASPARAGINE SYNTHETASE B user 3 3 RMSD = 1.31 A TRANSFORM -0.3496 0.1932 0.9167 0.8578 0.4594 0.2303 -0.3767 0.8669 -0.3264 -18.011 86.271 144.681 A 1 ALA B 46 ALA~? A 74 ASN B 42 ASN~? A 75 GLY A 92 GLY~? ULMNm 3 1ct9_c05 ASPARAGINE SYNTHETASE B user 1 3 RMSD = 1.31 A TRANSFORM -0.1066 -0.8173 0.5663 0.0535 -0.5735 -0.8175 0.9929 -0.0568 0.1048 11.974 16.792 30.461 B 1 ALA A 46 ALA~? B 74 ASN A 42 ASN~? B 75 GLY B 92 GLY~? ULMNm 3 1ct9_c04 ASPARAGINE SYNTHETASE B user 1 3 RMSD = 1.32 A TRANSFORM 0.3657 -0.2180 0.9048 -0.8419 -0.4920 0.2217 0.3969 -0.8428 -0.3635 -19.156 43.720 113.443 A 1 ALA A 46 ALA~? A 74 ASN A 42 ASN~? A 75 GLY B 92 GLY~? ULMNm 3 1mbb_c00 URIDINE DIPHOSPHO-N-ACETYLENOLPYRUVYuser 4 3 RMSD = 1.33 A TRANSFORM -0.8475 0.3863 0.3641 0.2839 -0.2498 0.9258 0.4485 0.8879 0.1020 11.471 -3.338 57.965 159 ARG B 9 ARG^? 229 SER B 72 SER.? 325 GLU B 14 GLU^? ULMNm 3 1euu_c00 SIALIDASE user 2 3 RMSD = 1.34 A TRANSFORM -0.8463 0.4382 -0.3029 0.1694 0.7605 0.6268 0.5050 0.4791 -0.7179 20.449 6.453 66.342 92 ASP B 70 ASP^? 260 GLU B 17 GLU^? 370 TYR B 66 TYR^? ULMNm 3 1ct9_c06 ASPARAGINE SYNTHETASE B user 3 3 RMSD = 1.34 A TRANSFORM -0.6631 -0.3875 -0.6404 -0.6617 -0.0965 0.7436 -0.3499 0.9168 -0.1924 4.773 -11.503 58.093 C 1 ALA B 46 ALA~? C 74 ASN B 42 ASN~? C 75 GLY A 92 GLY~? ULMNm 3 2qv4_p00 PANCREATIC ALPHA-AMYLASE user 4 3 RMSD = 1.34 A TRANSFORM -0.8697 -0.3326 -0.3646 -0.4924 0.5358 0.6859 -0.0328 0.7761 -0.6298 14.130 90.716 39.738 A 459 ASN B 95 ASN~? A 460 GLY B 92 GLY~? A 461 ASN A 42 ASN~? ULMNm 3 1ct9_c06 ASPARAGINE SYNTHETASE B user 1 3 RMSD = 1.35 A TRANSFORM 0.6444 0.4303 -0.6322 0.6675 0.0868 0.7395 0.3731 -0.8985 -0.2313 39.485 8.634 23.781 C 1 ALA A 46 ALA~? C 74 ASN A 42 ASN~? C 75 GLY B 92 GLY~? ULMNm 3 2r11_o02 CARBOXYLESTERASE NP user 5 3 RMSD = 1.35 A TRANSFORM 0.0533 0.2861 0.9567 -0.5077 0.8328 -0.2208 -0.8599 -0.4739 0.1896 -15.588 88.111 20.189 C 130 SER B 40 SER~? C 166 PHE B 86 PHE~? C 182 PHE B 6 PHE^? ULMNm 3 1euu_c00 SIALIDASE user 1 3 RMSD = 1.35 A TRANSFORM 0.8354 -0.4530 -0.3113 -0.1864 -0.7663 0.6148 -0.5170 -0.4556 -0.7246 19.491 -34.240 32.277 92 ASP A 70 ASP^? 260 GLU A 17 GLU^? 370 TYR A 66 TYR^? ULMNm 3 1mbb_c00 URIDINE DIPHOSPHO-N-ACETYLENOLPYRUVYuser 2 3 RMSD = 1.35 A TRANSFORM 0.8424 -0.4040 0.3566 -0.2837 0.2300 0.9309 -0.4581 -0.8854 0.0791 12.619 0.976 5.337 159 ARG A 9 ARG^? 229 SER A 72 SER.? 325 GLU A 14 GLU^? ULMNm 3 1mbb_c00 URIDINE DIPHOSPHO-N-ACETYLENOLPYRUVYuser 1 3 RMSD = 1.36 A TRANSFORM 0.0114 -0.7016 0.7125 -0.7626 0.4548 0.4601 -0.6468 -0.5486 -0.5298 -6.985 -0.592 11.009 159 ARG A 9 ARG^? 229 SER A 15 SER^? 325 GLU A 14 GLU^? ULMNm 3 1ct9_c07 ASPARAGINE SYNTHETASE B user 2 3 RMSD = 1.36 A TRANSFORM -0.1974 0.1825 -0.9632 -0.1735 -0.9735 -0.1489 -0.9648 0.1378 0.2238 4.134 15.368 99.412 D 1 ALA B 46 ALA~? D 74 ASN B 42 ASN~? D 75 GLY A 92 GLY~? ULMNm 3 1ct9_c07 ASPARAGINE SYNTHETASE B user 1 3 RMSD = 1.36 A TRANSFORM 0.1915 -0.1398 -0.9715 0.1448 0.9830 -0.1129 0.9708 -0.1190 0.2085 1.023 65.294 116.273 D 1 ALA A 46 ALA~? D 74 ASN A 42 ASN~? D 75 GLY B 92 GLY~? ULMNm 3 2qv4_p00 PANCREATIC ALPHA-AMYLASE user 3 3 RMSD = 1.36 A TRANSFORM -0.6299 0.5325 0.5654 -0.7746 -0.4839 -0.4072 0.0568 -0.6944 0.7173 5.957 78.125 -24.438 A 459 ASN B 42 ASN~? A 460 GLY A 92 GLY~? A 461 ASN A 95 ASN~? ULMNm 3 1mbb_c00 URIDINE DIPHOSPHO-N-ACETYLENOLPYRUVYuser 3 3 RMSD = 1.39 A TRANSFORM -0.0110 0.6841 0.7293 0.7509 -0.4760 0.4579 0.6604 0.5526 -0.5084 25.722 -4.934 51.763 159 ARG B 9 ARG^? 229 SER B 15 SER^? 325 GLU B 14 GLU^? ULMNm 3 1cwy_c00 AMYLOMALTASE user 2 3 RMSD = 1.42 A TRANSFORM 0.4598 0.7041 0.5411 0.7788 -0.0269 -0.6267 -0.4267 0.7096 -0.5608 -25.052 5.222 46.229 A 293 ASP B 60 ASP^? A 340 GLU B 61 GLU~? A 395 ASP B 63 ASP~? ULMNm 3 3pta_d00 TRANSFERASE/DNA user 1 3 RMSD = 1.42 A TRANSFORM -0.2594 -0.2088 0.9429 -0.6489 -0.6854 -0.3303 0.7152 -0.6976 0.0423 -17.977 -34.660 37.766 A 682 SER A 78 SER.? A 683 LYS A 77 LYS.? A 684 GLN A 83 GLN~? ULMNm 3 3pta_d00 TRANSFERASE/DNA user 2 3 RMSD = 1.44 A TRANSFORM 0.3234 0.1534 0.9338 0.6234 0.7079 -0.3322 -0.7119 0.6895 0.1333 -2.709 13.455 53.004 A 682 SER B 78 SER.? A 683 LYS B 77 LYS.? A 684 GLN B 83 GLN~? ULMNm 3 1dub_c15 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.45 A TRANSFORM -0.6062 -0.0743 -0.7918 -0.7165 -0.3811 0.5843 -0.3452 0.9215 0.1778 104.826 35.882 139.530 D 141 GLY A 28 GLY~? D 144 GLU A 26 GLU~? D 164 GLU A 102 GLU.? ULMNm 3 1dub_c17 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.46 A TRANSFORM 0.2918 0.9435 0.1570 -0.4876 0.0056 0.8730 0.8228 -0.3313 0.4617 76.916 27.132 144.747 F 141 GLY A 28 GLY~? F 144 GLU A 26 GLU~? F 164 GLU A 102 GLU.? ULMNm 3 1dub_c14 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.46 A TRANSFORM 0.5201 0.2410 0.8194 0.7368 0.3586 -0.5732 -0.4320 0.9018 0.0089 38.606 148.773 147.215 C 141 GLY A 28 GLY~? C 144 GLU A 26 GLU~? C 164 GLU A 102 GLU.? ULMNm 3 1dub_c16 2-ENOYL-COA HYDRATASE user 1 3 RMSD = 1.49 A TRANSFORM 0.7968 -0.5972 -0.0924 -0.2803 -0.5007 0.8190 -0.5353 -0.6267 -0.5663 95.478 32.422 169.387 E 141 GLY A 28 GLY~? E 144 GLU A 26 GLU~? E 164 GLU A 102 GLU.?