# cost function cost = # ( 15 * wet6.5(6.5, /log(length)) + 5 * near_backbone(9.65) + 5 * way_back(8.9) + 15 * dry5(5) + 20 * dry6.5(6.5) + 15 * dry8(8) + 5 * dry12(12) + 2 * phobic_fit + 10 * n_ca_c + 20 * bad_peptide + 5 * sidechain + 8 * bystroff + 60 * soft_clashes + 2 * backbone_clashes + 200 * break + 3 * pred_alpha2k + 4 * pred_alpha04 + 5 * pred_alpha06 + 5 * hbond_geom + 10 * hbond_geom_backbone + 20 * hbond_geom_beta + 50 * hbond_geom_beta_pair + 1 * missing_atoms ) name length wet6.5 near_backbone way_back dry5 dry6.5 dry8 dry12 phobic_fit n_ca_c bad_peptide sidechain bystroff soft_clashes backbone_clashes break pred_alpha2k pred_alpha04 pred_alpha06 hbond_geom hbond_geom_backbone hbond_geom_beta hbond_geom_beta_pair missing_atoms cost 10S 5N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N T0371.try13-opt2.pdb.gz 283 0.5275 1.7380 1.7414 2.9907 3.0216 3.2466 3.4815 0.7801 0.4322 0.1653 -4.9882 -0.1766 0.0423 0.0141 0.0260 0.3973 0.4170 0.4751 -0.5560 -0.4201 -0.1295 -0.1084 0.0000 177.5493 T0371.try13-opt1.pdb.gz 283 0.5270 1.7415 1.7545 2.9989 3.0248 3.2486 3.4813 0.7787 0.4590 0.1740 -4.9041 -0.1814 0.0435 0.0141 0.0265 0.4421 0.4642 0.5255 -0.5568 -0.4225 -0.1296 -0.1080 0.0000 179.4011 T0371.try13-opt2.repack-nonPC.pdb.gz 283 0.5352 1.7380 1.7414 3.0755 3.0352 3.2526 3.4828 0.7809 0.4322 0.1653 -4.8648 -0.1766 0.0449 0.0141 0.0260 0.3973 0.4170 0.4751 -0.5518 -0.4201 -0.1295 -0.1084 0.0000 180.0984 T0371.try8-opt2.pdb.gz 283 0.5268 1.7426 1.7492 2.9987 3.0254 3.2438 3.4804 0.7728 0.5261 0.1761 -4.7804 -0.1627 0.0427 0.0106 0.0255 0.4381 0.4636 0.5372 -0.5588 -0.4215 -0.1306 -0.1095 0.0000 180.4737 T0371.try9-opt2.pdb.gz 283 0.5354 1.7585 1.7552 2.9980 3.0214 3.2376 3.4628 0.8556 0.3210 0.1944 -4.6685 -0.1376 0.0344 0.0247 0.0317 0.5633 0.6599 0.7174 -0.5583 -0.3957 -0.1364 -0.1105 0.0000 182.6107 T0371.try8-opt2.repack-nonPC.pdb.gz 283 0.5350 1.7426 1.7492 3.0701 3.0357 3.2569 3.4894 0.7949 0.5261 0.1761 -4.5314 -0.1627 0.0461 0.0106 0.0255 0.4381 0.4636 0.5372 -0.5704 -0.4215 -0.1306 -0.1095 0.0000 183.5518 T0371.try8-opt1.pdb.gz 283 0.5273 1.7538 1.7566 3.0247 3.0321 3.2526 3.4822 0.7711 0.5365 0.1925 -4.6690 -0.1469 0.0494 0.0177 0.0312 0.4385 0.4639 0.5374 -0.5507 -0.4132 -0.1268 -0.1063 0.0000 184.2783 T0371.try9-opt2.repack-nonPC.pdb.gz 283 0.5385 1.7585 1.7552 3.0487 3.0444 3.2526 3.4633 0.8947 0.3210 0.1944 -4.4746 -0.1376 0.0222 0.0247 0.0317 0.5633 0.6599 0.7174 -0.5577 -0.3957 -0.1364 -0.1105 0.0000 184.4251 T0371.try9-opt1.pdb.gz 283 0.5400 1.7607 1.7788 3.0315 3.0258 3.2413 3.4641 0.8660 0.3370 0.2090 -4.4190 -0.1505 0.0481 0.0424 0.0329 0.5604 0.6594 0.7169 -0.5505 -0.3907 -0.1333 -0.1068 0.0000 186.5051 T0371.try5-opt2.pdb.gz 283 0.5311 1.7694 1.7616 2.9891 3.0312 3.2466 3.4600 0.8533 0.4857 0.1900 -4.6061 -0.1466 0.0606 0.0212 0.0368 0.5007 0.5964 0.6666 -0.5514 -0.3983 -0.1334 -0.1100 0.0000 186.5930 T0371.try7-opt2.repack-nonPC.pdb.gz 283 0.5324 1.7701 1.7554 3.0629 3.0489 3.2537 3.4605 0.8349 0.4353 0.1181 -4.7792 -0.1201 0.1078 0.0565 0.0631 0.1682 0.1565 0.2103 -0.5633 -0.4066 -0.1421 -0.1209 0.0000 187.7831 T0371.try12-opt2.pdb.gz 283 0.5299 1.7232 1.7112 2.9948 2.9393 3.2016 3.4316 0.8986 0.5026 0.1261 -5.3912 -0.1877 0.1587 0.0495 0.0883 0.1711 0.0977 0.1631 -0.5863 -0.4352 -0.1302 -0.1138 0.0000 188.3200 T0371.try5-opt2.repack-nonPC.pdb.gz 283 0.5444 1.7694 1.7616 3.0691 3.0511 3.2687 3.4689 0.8641 0.4857 0.1900 -4.5374 -0.1466 0.0458 0.0212 0.0368 0.5007 0.5964 0.6666 -0.5353 -0.3983 -0.1334 -0.1100 0.0000 188.3213 T0371.try6-opt2.pdb.gz 283 0.5272 1.7813 1.7583 2.9897 3.0293 3.2493 3.4888 0.7720 0.4205 0.1053 -5.1792 -0.1720 0.1428 0.0071 0.0639 0.3141 0.3391 0.4171 -0.5353 -0.4214 -0.1328 -0.1096 0.0000 188.5151 T0371.try6-opt2.repack-nonPC.pdb.gz 283 0.5282 1.7813 1.7583 3.0592 3.0310 3.2565 3.4887 0.8113 0.4205 0.1053 -4.7383 -0.1720 0.0967 0.0071 0.0639 0.3141 0.3391 0.4171 -0.5659 -0.4214 -0.1328 -0.1096 0.0000 189.0814 T0371.try13-opt2.gromacs0.pdb.gz 283 0.5284 1.7575 1.7589 3.0313 3.0439 3.2537 3.4817 0.7780 0.3575 0.2467 -3.8847 -0.1214 0.0155 0.0106 0.0260 0.7372 0.8231 0.8936 -0.5537 -0.4106 -0.1261 -0.1065 0.0000 189.1364 T0371.try7-opt2.pdb.gz 283 0.5335 1.7701 1.7554 2.9873 2.9916 3.2272 3.4603 0.8319 0.4353 0.1181 -5.1325 -0.1201 0.2081 0.0565 0.0631 0.1682 0.1565 0.2103 -0.5585 -0.4066 -0.1421 -0.1209 0.0000 189.3935 T0371.try12-opt2.repack-nonPC.pdb.gz 283 0.5361 1.7232 1.7112 3.0340 2.9845 3.2255 3.4457 0.9330 0.5026 0.1261 -5.0660 -0.1877 0.1283 0.0495 0.0883 0.1711 0.0977 0.1631 -0.5908 -0.4352 -0.1302 -0.1138 0.0000 190.1883 T0371.try5-opt1.pdb.gz 283 0.5384 1.7769 1.7555 2.9771 3.0412 3.2541 3.4622 0.8540 0.5068 0.1965 -4.3970 -0.1545 0.0714 0.0318 0.0415 0.5018 0.6034 0.6719 -0.5304 -0.3876 -0.1311 -0.1079 0.0000 190.2166 T0371.try11-opt2.pdb.gz 283 0.5270 1.7306 1.7289 3.0096 2.9687 3.2251 3.4413 0.9479 0.5983 0.1098 -5.0142 -0.1941 0.1468 0.0283 0.0737 0.3139 0.2455 0.3101 -0.5783 -0.4273 -0.1246 -0.1053 0.0000 190.9143 T0371.try12-opt1.pdb.gz 283 0.5285 1.7298 1.7238 3.0076 2.9684 3.2240 3.4408 0.9471 0.5871 0.1162 -5.0472 -0.2040 0.1425 0.0247 0.0808 0.2793 0.2139 0.2858 -0.5847 -0.4287 -0.1257 -0.1119 0.0000 191.0230 T0371.try13-opt2.gromacs0.repack-nonPC.pdb.gz 283 0.5416 1.7575 1.7589 3.0938 3.0520 3.2623 3.4840 0.7826 0.3575 0.2467 -3.8517 -0.1214 0.0214 0.0106 0.0260 0.7372 0.8231 0.8936 -0.5504 -0.4106 -0.1261 -0.1065 0.0000 191.1174 T0371.try2-opt2.repack-nonPC.pdb.gz 283 0.5472 1.7756 1.7497 3.0582 3.0755 3.3003 3.4747 0.8687 0.4587 0.1109 -4.5861 -0.1086 0.1017 0.0389 0.0549 0.3139 0.3604 0.4201 -0.5693 -0.4030 -0.1360 -0.1155 0.0000 191.1195 T0371.try11-opt2.repack-nonPC.pdb.gz 283 0.5353 1.7306 1.7289 3.0425 2.9984 3.2435 3.4475 0.9358 0.5983 0.1098 -4.7743 -0.1941 0.1099 0.0283 0.0737 0.3139 0.2455 0.3101 -0.5816 -0.4273 -0.1246 -0.1053 0.0000 191.3779 T0371.try3-opt2.pdb.gz 283 0.5389 1.7758 1.7604 2.9739 3.0446 3.2551 3.4605 0.8541 0.5049 0.1993 -4.3310 -0.1534 0.0713 0.0318 0.0420 0.5568 0.6635 0.7332 -0.5289 -0.3843 -0.1300 -0.1074 0.0000 191.5335 T0371.try8-opt2.gromacs0.pdb.gz 283 0.5270 1.7544 1.7521 3.0517 3.0469 3.2539 3.4800 0.7710 0.4369 0.2577 -3.8201 -0.1271 0.0172 0.0071 0.0323 0.7099 0.7687 0.8481 -0.5474 -0.4049 -0.1266 -0.1071 0.0000 191.5811 T0371.try3-opt2.repack-nonPC.pdb.gz 283 0.5443 1.7758 1.7604 3.0505 3.0495 3.2697 3.4734 0.8846 0.5049 0.1993 -4.3460 -0.1534 0.0513 0.0318 0.0420 0.5568 0.6635 0.7332 -0.5408 -0.3843 -0.1300 -0.1074 0.0000 191.8705 T0371.try2-opt2.pdb.gz 283 0.5358 1.7756 1.7497 2.9832 3.0446 3.2683 3.4698 0.8759 0.4587 0.1109 -4.9077 -0.1086 0.1831 0.0389 0.0549 0.3139 0.3604 0.4201 -0.5320 -0.4030 -0.1360 -0.1155 0.0000 192.1803 T0371.try7-opt1.pdb.gz 283 0.5343 1.7749 1.7462 2.9756 3.0227 3.2513 3.4628 0.8331 0.4602 0.1143 -4.9435 -0.1091 0.2051 0.0530 0.0579 0.3020 0.3261 0.3858 -0.5384 -0.4057 -0.1393 -0.1189 0.0000 192.4048 T0371.try6-opt1.pdb.gz 283 0.5367 1.7932 1.7602 3.0264 3.0384 3.2495 3.4878 0.7693 0.4187 0.1090 -5.2608 -0.1605 0.1970 0.0141 0.0691 0.3170 0.3284 0.4016 -0.5376 -0.4203 -0.1315 -0.1088 0.0000 193.4750 T0371.try8-opt2.gromacs0.repack-nonPC.pdb.gz 283 0.5396 1.7544 1.7521 3.1089 3.0622 3.2744 3.4897 0.7802 0.4369 0.2577 -3.7758 -0.1271 0.0264 0.0071 0.0323 0.7099 0.7687 0.8481 -0.5416 -0.4049 -0.1266 -0.1071 0.0000 194.1141 T0371.try13-opt1-scwrl.pdb.gz 283 0.5395 1.7415 1.7545 3.1020 3.0877 3.2739 3.4918 0.7570 0.4590 0.1740 -5.5614 -0.1814 0.2979 0.0141 0.0265 0.4421 0.4642 0.5255 -0.5283 -0.4225 -0.1296 -0.1080 0.0000 194.8981 T0371.try6-opt2.gromacs0.pdb.gz 283 0.5294 1.7682 1.7664 3.0454 3.0422 3.2562 3.4893 0.7734 0.5592 0.2355 -4.0294 -0.0879 0.0414 0.0212 0.0449 0.6635 0.7311 0.8155 -0.5420 -0.4030 -0.1297 -0.1079 0.0000 195.1990 T0371.try3-opt1.pdb.gz 283 0.5421 1.7846 1.7734 3.0124 3.0609 3.2630 3.4642 0.8193 0.5246 0.2154 -4.2201 -0.1433 0.0819 0.0247 0.0475 0.5582 0.6586 0.7279 -0.5298 -0.3822 -0.1272 -0.1042 0.0000 195.7313 T0371.try7-opt2.gromacs0.pdb.gz 283 0.5367 1.7846 1.7930 3.0349 3.0233 3.2429 3.4631 0.8335 0.2941 0.2408 -3.5128 -0.0861 0.0402 0.0283 0.0364 0.9026 1.0055 1.0840 -0.5616 -0.3917 -0.1350 -0.1079 0.0000 196.1467 T0371.try9-opt2.gromacs0.pdb.gz 283 0.5363 1.7808 1.7788 3.0200 3.0328 3.2449 3.4633 0.8545 0.2569 0.2692 -3.5562 -0.0732 0.0189 0.0177 0.0432 0.9040 1.0073 1.0842 -0.5549 -0.3884 -0.1314 -0.1056 0.0000 196.4753 T0371.try2-opt1.pdb.gz 283 0.5405 1.7691 1.7559 3.0337 3.0595 3.2663 3.4661 0.8791 0.4828 0.1140 -5.0668 -0.1111 0.2406 0.0459 0.0591 0.3269 0.3708 0.4312 -0.5266 -0.3978 -0.1342 -0.1141 0.0000 197.3660 T0371.try6-opt2.gromacs0.repack-nonPC.pdb.gz 283 0.5377 1.7682 1.7664 3.1001 3.0645 3.2658 3.4898 0.7825 0.5592 0.2355 -3.9424 -0.0879 0.0467 0.0212 0.0449 0.6635 0.7311 0.8155 -0.5487 -0.4030 -0.1297 -0.1079 0.0000 197.4722 T0371.try7-opt2.gromacs0.repack-nonPC.pdb.gz 283 0.5384 1.7846 1.7930 3.0607 3.0498 3.2572 3.4631 0.8687 0.2941 0.2408 -3.3301 -0.0861 0.0276 0.0283 0.0364 0.9026 1.0055 1.0840 -0.5466 -0.3917 -0.1350 -0.1079 0.0000 197.6064 T0371.try9-opt2.gromacs0.repack-nonPC.pdb.gz 283 0.5458 1.7808 1.7788 3.0556 3.0462 3.2617 3.4683 0.8892 0.2569 0.2692 -3.5377 -0.0732 0.0176 0.0177 0.0432 0.9040 1.0073 1.0842 -0.5461 -0.3884 -0.1314 -0.1056 0.0000 197.8254 T0371.try11-opt1.pdb.gz 283 0.5304 1.7269 1.7206 3.0616 2.9784 3.2173 3.4398 0.8987 0.6020 0.1131 -5.1217 -0.1905 0.2231 0.0353 0.0824 0.3232 0.2670 0.3292 -0.5613 -0.4225 -0.1244 -0.1040 0.0000 197.9974 T0371.try11-opt2.gromacs0.pdb.gz 283 0.5311 1.7295 1.7315 3.0354 2.9878 3.2299 3.4439 0.9485 0.4786 0.2470 -3.6822 -0.1609 0.0837 0.0565 0.0510 0.7440 0.6815 0.7961 -0.5665 -0.4073 -0.1178 -0.1001 0.0000 198.1586 T0371.try12-opt2.gromacs0.pdb.gz 283 0.5318 1.7268 1.7248 3.0358 2.9690 3.2138 3.4334 0.9001 0.4723 0.2565 -3.8063 -0.1587 0.0844 0.0636 0.0567 0.7527 0.6949 0.8099 -0.5770 -0.4015 -0.1199 -0.0977 0.0000 198.3238 T0371.try2-opt2.gromacs0.pdb.gz 283 0.5386 1.7803 1.7793 3.0451 3.0566 3.2756 3.4726 0.8757 0.3066 0.2419 -3.4861 -0.0698 0.0395 0.0212 0.0390 0.8862 0.9924 1.0617 -0.5383 -0.3954 -0.1336 -0.1068 0.0000 198.3517 T0371.try5-opt2.gromacs0.pdb.gz 283 0.5378 1.7794 1.7914 3.0305 3.0454 3.2612 3.4596 0.8534 0.3484 0.2754 -3.4361 -0.0665 0.0256 0.0106 0.0410 0.8786 0.9887 1.0558 -0.5346 -0.3838 -0.1264 -0.1041 0.0000 198.8738 T0371.try2-opt2.gromacs0.repack-nonPC.pdb.gz 283 0.5424 1.7803 1.7793 3.0778 3.0710 3.2912 3.4718 0.9063 0.3066 0.2419 -3.4174 -0.0698 0.0277 0.0212 0.0390 0.8862 0.9924 1.0617 -0.5575 -0.3954 -0.1336 -0.1068 0.0000 199.0196 T0371.try8-opt1-scwrl.pdb.gz 283 0.5430 1.7538 1.7566 3.1192 3.0902 3.2829 3.4984 0.7673 0.5365 0.1925 -5.3979 -0.1469 0.2993 0.0177 0.0312 0.4385 0.4639 0.5374 -0.5180 -0.4132 -0.1268 -0.1063 0.0000 199.1335 T0371.try1-opt2.repack-nonPC.pdb.gz 283 0.5440 1.7844 1.7704 3.0983 3.0750 3.2807 3.4721 0.8707 0.4216 0.1292 -4.6233 -0.1229 0.1438 0.0424 0.0871 0.2773 0.3167 0.3762 -0.5831 -0.4072 -0.1386 -0.1177 0.0000 199.3833 T0371.try12-opt2.gromacs0.repack-nonPC.pdb.gz 283 0.5346 1.7268 1.7248 3.0414 2.9970 3.2236 3.4403 0.9333 0.4723 0.2565 -3.8013 -0.1587 0.0896 0.0636 0.0567 0.7527 0.6949 0.8099 -0.5725 -0.4015 -0.1199 -0.0977 0.0000 199.6158 T0371.try10-opt2.repack-nonPC.pdb.gz 283 0.5346 1.7299 1.7233 3.0774 3.0028 3.2225 3.4420 0.9078 0.5613 0.1302 -4.9545 -0.1775 0.1637 0.0318 0.1063 0.2698 0.1940 0.2658 -0.5694 -0.4267 -0.1284 -0.1116 0.0000 199.6969 T0371.try11-opt2.gromacs0.repack-nonPC.pdb.gz 283 0.5286 1.7295 1.7315 3.0477 3.0196 3.2407 3.4403 0.9185 0.4786 0.2470 -3.7392 -0.1609 0.1020 0.0565 0.0510 0.7440 0.6815 0.7961 -0.5620 -0.4073 -0.1178 -0.1001 0.0000 199.8605 T0371.try5-opt2.gromacs0.repack-nonPC.pdb.gz 283 0.5441 1.7794 1.7914 3.0833 3.0616 3.2811 3.4673 0.8590 0.3484 0.2754 -3.4090 -0.0665 0.0315 0.0106 0.0410 0.8786 0.9887 1.0558 -0.5212 -0.3838 -0.1264 -0.1041 0.0000 200.9855 T0371.try9-opt1-scwrl.pdb.gz 283 0.5505 1.7607 1.7788 3.1062 3.0849 3.2981 3.4741 0.8352 0.3370 0.2090 -5.0899 -0.1505 0.3258 0.0424 0.0329 0.5604 0.6594 0.7169 -0.5371 -0.3907 -0.1333 -0.1068 0.0000 203.1800 T0371.try10-opt2.pdb.gz 283 0.5357 1.7299 1.7233 3.0749 2.9809 3.2251 3.4420 0.9244 0.5613 0.1302 -5.2927 -0.1775 0.2637 0.0318 0.1063 0.2698 0.1940 0.2658 -0.5718 -0.4267 -0.1284 -0.1116 0.0000 203.6028 T0371.try10-opt2.gromacs0.repack-nonPC.pdb.gz 283 0.5356 1.7212 1.7152 3.0718 3.0145 3.2415 3.4428 0.9289 0.5181 0.2657 -3.8141 -0.1478 0.0959 0.0671 0.0693 0.7526 0.6819 0.7963 -0.5786 -0.4052 -0.1199 -0.1044 0.0000 203.6694 T0371.try10-opt2.gromacs0.pdb.gz 283 0.5354 1.7212 1.7152 3.0846 3.0084 3.2338 3.4421 0.9257 0.5181 0.2657 -3.7393 -0.1478 0.1037 0.0671 0.0693 0.7526 0.6819 0.7963 -0.5730 -0.4052 -0.1199 -0.1044 0.0000 204.4832 T0371.try1-opt2.pdb.gz 283 0.5447 1.7844 1.7704 3.0445 3.0569 3.2559 3.4644 0.8413 0.4216 0.1292 -5.1107 -0.1229 0.2985 0.0424 0.0871 0.2773 0.3167 0.3762 -0.5442 -0.4072 -0.1386 -0.1177 0.0000 204.7967 T0371.try3-opt2.gromacs0.pdb.gz 283 0.5422 1.7854 1.7772 3.0088 3.0623 3.2690 3.4635 0.8526 0.3722 0.2835 -3.2021 -0.0985 0.0289 0.0212 0.0616 0.8948 1.0054 1.0716 -0.5282 -0.3772 -0.1245 -0.1026 0.0000 205.1031 T0371.try3-opt2.gromacs0.repack-nonPC.pdb.gz 283 0.5481 1.7854 1.7772 3.0555 3.0755 3.2826 3.4695 0.8579 0.3722 0.2835 -3.3154 -0.0985 0.0404 0.0212 0.0616 0.8948 1.0054 1.0716 -0.5221 -0.3772 -0.1245 -0.1026 0.0000 206.5599 T0371.try12-opt1-scwrl.pdb.gz 283 0.5470 1.7298 1.7238 3.1342 3.0421 3.2680 3.4538 0.9269 0.5871 0.1162 -5.7560 -0.2040 0.3866 0.0247 0.0808 0.2793 0.2139 0.2858 -0.5496 -0.4287 -0.1257 -0.1119 0.0000 206.6337 T0371.try6-opt1-scwrl.pdb.gz 283 0.5409 1.7932 1.7602 3.1257 3.1098 3.2926 3.5007 0.7600 0.4187 0.1090 -5.5783 -0.1605 0.3958 0.0141 0.0691 0.3170 0.3284 0.4016 -0.5266 -0.4203 -0.1315 -0.1088 0.0000 207.5428 T0371.try1-opt2.gromacs0.repack-nonPC.pdb.gz 283 0.5452 1.7886 1.7939 3.0874 3.0683 3.2858 3.4739 0.8680 0.4336 0.2562 -3.2290 -0.0507 0.0470 0.0318 0.0611 0.8790 0.9870 1.0585 -0.5474 -0.3892 -0.1283 -0.1041 0.0000 207.6558 T0371.try1-opt2.gromacs0.pdb.gz 283 0.5444 1.7886 1.7939 3.0736 3.0740 3.2768 3.4673 0.8404 0.4336 0.2562 -3.3677 -0.0507 0.0638 0.0318 0.0611 0.8790 0.9870 1.0585 -0.5388 -0.3892 -0.1283 -0.1041 0.0000 207.6826 T0371.try7-opt1-scwrl.pdb.gz 283 0.5379 1.7749 1.7462 3.1132 3.0987 3.2869 3.4640 0.7966 0.4602 0.1143 -5.4396 -0.1091 0.4349 0.0530 0.0579 0.3020 0.3261 0.3858 -0.5305 -0.4057 -0.1393 -0.1189 0.0000 207.8540 T0371.try2-opt1-scwrl.pdb.gz 283 0.5403 1.7691 1.7559 3.1255 3.0978 3.2962 3.4794 0.8697 0.4828 0.1140 -5.3917 -0.1111 0.4128 0.0459 0.0591 0.3269 0.3708 0.4312 -0.5102 -0.3978 -0.1342 -0.1141 0.0000 208.7876 T0371.try5-opt1-scwrl.pdb.gz 283 0.5433 1.7769 1.7555 3.1110 3.1011 3.3154 3.4744 0.8154 0.5068 0.1965 -5.1461 -0.1545 0.3752 0.0318 0.0415 0.5018 0.6034 0.6719 -0.5103 -0.3876 -0.1311 -0.1079 0.0000 208.9819 T0371.try11-opt1-scwrl.pdb.gz 283 0.5364 1.7269 1.7206 3.1132 3.0521 3.2521 3.4511 0.9208 0.6020 0.1131 -5.6379 -0.1905 0.4160 0.0353 0.0824 0.3232 0.2670 0.3292 -0.5353 -0.4225 -0.1244 -0.1040 0.0000 210.0819 T0371.try3-opt1-scwrl.pdb.gz 283 0.5423 1.7846 1.7734 3.1104 3.0980 3.3166 3.4716 0.8132 0.5246 0.2154 -4.9568 -0.1433 0.3735 0.0247 0.0475 0.5582 0.6586 0.7279 -0.5051 -0.3822 -0.1272 -0.1042 0.0000 212.7102 T0371.try1-opt1.pdb.gz 283 0.5468 1.7888 1.7859 3.1153 3.0914 3.2874 3.4687 0.8582 0.3818 0.1104 -4.9390 -0.0880 0.4030 0.0601 0.0713 0.5142 0.5395 0.5952 -0.5092 -0.3843 -0.1223 -0.1005 0.0000 215.0080 T0371.try10-opt1.pdb.gz 283 0.5489 1.7358 1.7243 3.1567 3.0702 3.2863 3.4883 1.0394 0.5612 0.1194 -5.1817 -0.1947 0.4060 0.0636 0.0997 0.5089 0.4466 0.5285 -0.5545 -0.4067 -0.1236 -0.1059 0.0000 219.4049 T0371.try10-opt1-scwrl.pdb.gz 283 0.5443 1.7358 1.7243 3.1807 3.0837 3.2881 3.4954 1.0369 0.5612 0.1194 -5.2867 -0.1947 0.4327 0.0636 0.0997 0.5089 0.4466 0.5285 -0.5402 -0.4067 -0.1236 -0.1059 0.0000 221.1668 T0371.try1-opt1-scwrl.pdb.gz 283 0.5425 1.7888 1.7859 3.1490 3.0939 3.2963 3.4743 0.8714 0.3818 0.1104 -5.0735 -0.0880 0.5190 0.0601 0.0713 0.5142 0.5395 0.5952 -0.5271 -0.3843 -0.1223 -0.1005 0.0000 221.8833 T0371.chimera.pdb.gz 270 0.4988 1.6619 1.6454 2.8366 2.8927 3.0823 3.2784 2.6122 0.7545 0.7040 -4.2205 -0.1485 0.0703 0.0283 0.0000 0.5275 0.6253 0.6951 -0.5144 -0.3744 -0.1233 -0.0975 106.0000 295.7850