# cost function cost = # ( 15 * wet6.5(6.5, /log(length)) + 5 * near_backbone(9.65) + 5 * way_back(8.9) + 25 * dry5(5) + 30 * dry6.5(6.5) + 20 * dry8(8) + 6 * dry12(12) + 2 * phobic_fit + 4 * sidechain + 15 * n_ca_c + 15 * bad_peptide + 5 * bystroff + 80 * soft_clashes + 2 * backbone_clashes + 150 * break + 2 * pred_alpha2k + 2 * pred_alpha04 + 2 * pred_alpha06 + 8 * constraints + 5 * hbond_geom + 10 * hbond_geom_backbone + 50 * hbond_geom_beta + 100 * hbond_geom_beta_pair ) name length wet6.5 near_backbone way_back dry5 dry6.5 dry8 dry12 phobic_fit sidechain n_ca_c bad_peptide bystroff soft_clashes backbone_clashes break pred_alpha2k pred_alpha04 pred_alpha06 constraints hbond_geom hbond_geom_backbone hbond_geom_beta hbond_geom_beta_pair 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 T0379.try15-opt1.pdb 208 0.5518 1.6635 1.6932 2.9506 2.9288 3.3374 3.5800 0.8014 -4.4791 0.4220 0.1123 -0.1144 0.0683 0.0096 0.0118 0.2782 0.3017 0.4554 0.0000 -0.6056 -0.4571 -0.1039 -0.0815 254.4399 T0379.try9-opt2.pdb.gz 208 0.5489 1.6651 1.6997 2.9563 2.9306 3.3296 3.5802 0.8136 -4.5123 0.4229 0.1167 -0.1133 0.0712 0.0048 0.0181 0.2652 0.2691 0.4282 0.0000 -0.6023 -0.4533 -0.1030 -0.0802 255.7043 T0379.try14-opt2.pdb.gz 208 0.5450 1.6276 1.7034 2.9673 2.9470 3.2637 3.4485 0.5676 -4.3812 0.3767 0.1368 -0.1636 0.0870 0.0288 0.0261 0.4046 0.3862 0.2712 0.0000 -0.6445 -0.4418 -0.1026 -0.0797 256.1941 T0379.try9-opt1.pdb.gz 208 0.5519 1.6642 1.6966 2.9654 2.9533 3.3539 3.5893 0.8372 -4.4559 0.4475 0.1157 -0.1119 0.0689 0.0048 0.0163 0.2662 0.2699 0.4291 0.0000 -0.6130 -0.4501 -0.1025 -0.0797 257.4173 T0379.try8-opt2.pdb.gz 208 0.5504 1.6694 1.6939 2.9651 2.9639 3.3699 3.5979 0.8796 -4.4105 0.4637 0.1155 -0.1130 0.0678 0.0048 0.0154 0.2804 0.3044 0.4581 0.0000 -0.6075 -0.4404 -0.1021 -0.0796 258.6632 T0379.try3-opt2.gromacs0.pdb.gz 208 0.5366 1.6466 1.6491 3.0437 2.9958 3.2828 3.4418 0.8890 -4.0255 0.1953 0.2337 -0.1358 0.0567 0.0192 0.0236 0.6779 0.7086 0.5596 0.0000 -0.6227 -0.4414 -0.1040 -0.0849 259.0272 T0379.try3-opt2.gromacs0.repack-nonPC.pdb.gz 208 0.5465 1.6466 1.6491 3.0517 3.0329 3.2937 3.4551 0.8779 -4.0256 0.1953 0.2337 -0.1358 0.0431 0.0192 0.0236 0.6779 0.7086 0.5596 0.0000 -0.6069 -0.4414 -0.1040 -0.0849 259.7452 T0379.try14-opt1.pdb.gz 208 0.5499 1.6239 1.7074 2.9853 2.9693 3.2780 3.4497 0.5722 -4.4526 0.3889 0.1383 -0.1655 0.1086 0.0288 0.0307 0.3583 0.3554 0.2537 0.0000 -0.6217 -0.4381 -0.1015 -0.0785 260.1528 T0379.try9-opt2.gromacs0.pdb.gz 208 0.5498 1.6617 1.7203 3.0062 2.9626 3.3489 3.5850 0.8139 -3.7209 0.2101 0.2340 -0.0926 0.0178 0.0048 0.0299 0.5802 0.6678 0.8626 0.0000 -0.5963 -0.4385 -0.1011 -0.0785 260.4914 T0379.try2-opt2.gromacs0.pdb.gz 208 0.5385 1.6625 1.6689 3.0124 2.9907 3.2686 3.4429 0.6652 -3.6445 0.2098 0.2504 -0.1275 0.0522 0.0096 0.0326 0.6715 0.6900 0.5519 0.0000 -0.6340 -0.4373 -0.1040 -0.0846 260.5120 T0379.try14-opt2.gromacs0.pdb.gz 208 0.5447 1.6593 1.7130 2.9905 2.9614 3.2809 3.4484 0.5663 -3.2596 0.2267 0.2655 -0.1406 0.0190 0.0096 0.0448 0.6845 0.7123 0.5633 0.0000 -0.6557 -0.4252 -0.1025 -0.0790 261.3478 T0379.try14-opt2.repack-nonPC.pdb.gz 208 0.5406 1.6276 1.7034 3.0278 3.0144 3.3125 3.4556 0.6548 -4.5697 0.3767 0.1368 -0.1636 0.1008 0.0288 0.0261 0.4046 0.3862 0.2712 0.0000 -0.6016 -0.4418 -0.1026 -0.0797 261.4218 T0379.try8-opt2.gromacs0.pdb.gz 208 0.5539 1.6637 1.7067 3.0090 2.9845 3.3830 3.6002 0.8793 -3.7530 0.2064 0.2270 -0.1119 0.0197 0.0048 0.0292 0.5707 0.6572 0.8509 0.0000 -0.5951 -0.4343 -0.0998 -0.0773 261.9430 T0379.try2-opt2.gromacs0.repack-nonPC.pdb.gz 208 0.5438 1.6625 1.6689 3.0482 3.0135 3.2963 3.4459 0.7035 -3.5506 0.2098 0.2504 -0.1275 0.0358 0.0096 0.0326 0.6715 0.6900 0.5519 0.0000 -0.6086 -0.4373 -0.1040 -0.0846 262.0095 T0379.try13-opt2.pdb.gz 208 0.5499 1.6323 1.7065 2.9892 2.9731 3.2844 3.4511 0.5762 -4.4078 0.4077 0.1385 -0.1608 0.1173 0.0288 0.0301 0.3804 0.3758 0.2782 0.0000 -0.6095 -0.4363 -0.1000 -0.0774 262.0459 T0379.try2-opt2.pdb.gz 208 0.5350 1.6632 1.6603 2.9960 2.9652 3.2502 3.4395 0.6643 -5.0836 0.2179 0.1506 -0.1730 0.2153 0.0096 0.0408 0.2689 0.2616 0.1535 0.0000 -0.6289 -0.4686 -0.1116 -0.0904 262.0743 T0379.try2-opt2.repack-nonPC.pdb.gz 208 0.5379 1.6632 1.6603 3.0570 3.0251 3.3006 3.4445 0.6916 -4.7947 0.2179 0.1506 -0.1730 0.1477 0.0096 0.0408 0.2689 0.2616 0.1535 0.0000 -0.6508 -0.4686 -0.1116 -0.0904 262.1789 T0379.try9-opt2.repack-nonPC.pdb.gz 208 0.5614 1.6651 1.6997 3.0253 3.0324 3.4020 3.5949 0.7676 -4.4372 0.4229 0.1167 -0.1133 0.0719 0.0048 0.0181 0.2652 0.2691 0.4282 0.0000 -0.6131 -0.4533 -0.1030 -0.0802 262.4153 T0379.try8-opt1.pdb.gz 208 0.5505 1.6763 1.6957 3.0052 2.9859 3.3951 3.6142 0.8905 -4.4726 0.4979 0.1165 -0.1024 0.0812 0.0048 0.0180 0.2698 0.2734 0.4332 0.0000 -0.5823 -0.4409 -0.1001 -0.0778 263.0585 T0379.try13-opt2.gromacs0.pdb.gz 208 0.5532 1.6530 1.7078 3.0155 2.9788 3.3008 3.4507 0.5763 -3.4655 0.2439 0.2715 -0.1601 0.0234 0.0192 0.0490 0.6693 0.6810 0.5343 0.0000 -0.6299 -0.4237 -0.1002 -0.0775 263.6781 T0379.try8-opt2.repack-nonPC.pdb.gz 208 0.5619 1.6694 1.6939 3.0470 3.0564 3.4278 3.6085 0.8390 -4.3565 0.4637 0.1155 -0.1130 0.0501 0.0048 0.0154 0.2804 0.3044 0.4581 0.0000 -0.5913 -0.4404 -0.1021 -0.0796 263.6886 T0379.try9-opt2.gromacs0.repack-nonPC.pdb.gz 208 0.5564 1.6617 1.7203 3.0416 3.0317 3.3845 3.5988 0.7760 -3.9115 0.2101 0.2340 -0.0926 0.0266 0.0048 0.0299 0.5802 0.6678 0.8626 0.0000 -0.5816 -0.4385 -0.1011 -0.0785 264.2852 T0379.try13-opt2.gromacs0.repack-nonPC.pdb.gz 208 0.5544 1.6530 1.7078 3.0024 2.9808 3.3139 3.4607 0.5916 -3.4238 0.2439 0.2715 -0.1601 0.0279 0.0192 0.0490 0.6693 0.6810 0.5343 0.0000 -0.5849 -0.4237 -0.1002 -0.0775 264.5276 T0379.try14-opt2.gromacs0.repack-nonPC.pdb.gz 208 0.5548 1.6593 1.7130 3.0100 2.9978 3.3325 3.4609 0.5883 -3.3198 0.2267 0.2655 -0.1406 0.0269 0.0096 0.0448 0.6845 0.7123 0.5633 0.0000 -0.6027 -0.4252 -0.1025 -0.0790 264.8826 T0379.try1-opt2.gromacs0.pdb.gz 208 0.5396 1.6864 1.6860 2.9797 2.9839 3.2939 3.4858 0.7274 -3.5815 0.2358 0.2673 -0.1016 0.0535 0.0529 0.0562 0.6842 0.7150 0.5807 0.0000 -0.6491 -0.4379 -0.1055 -0.0886 264.9407 T0379.try3-opt2.pdb.gz 208 0.5345 1.6427 1.6669 3.0099 2.9789 3.2687 3.4400 0.8880 -5.0498 0.3333 0.1470 -0.1404 0.2098 0.0288 0.0388 0.1934 0.1633 0.0904 0.0000 -0.6016 -0.4501 -0.1057 -0.0868 265.3572 T0379.try7-opt2.gromacs0.pdb.gz 208 0.5508 1.6675 1.7129 3.0397 3.0282 3.4346 3.6301 0.9169 -3.8523 0.2414 0.2268 -0.1139 0.0314 0.0048 0.0191 0.5939 0.6621 0.8627 0.0000 -0.5648 -0.4244 -0.0953 -0.0760 265.5374 T0379.try1-opt2.pdb.gz 208 0.5466 1.6696 1.6646 2.9697 2.9501 3.2721 3.4726 0.7292 -5.0589 0.2250 0.1587 -0.1266 0.2151 0.0721 0.0636 0.1752 0.1558 0.0610 0.0000 -0.6393 -0.4519 -0.1091 -0.0904 265.6990 T0379.try8-opt2.gromacs0.repack-nonPC.pdb.gz 208 0.5579 1.6637 1.7067 3.0513 3.0452 3.4243 3.6074 0.8459 -3.9104 0.2064 0.2270 -0.1119 0.0284 0.0048 0.0292 0.5707 0.6572 0.8509 0.0000 -0.5755 -0.4343 -0.0998 -0.0773 265.8542 T0379.try3-opt2.repack-nonPC.pdb.gz 208 0.5403 1.6427 1.6669 3.0602 3.0437 3.3190 3.4521 0.8632 -4.7046 0.3333 0.1470 -0.1404 0.1462 0.0288 0.0388 0.1934 0.1633 0.0904 0.0000 -0.6046 -0.4501 -0.1057 -0.0868 265.9532 T0379.try1-opt2.repack-nonPC.pdb.gz 208 0.5477 1.6696 1.6646 3.0687 3.0140 3.2920 3.4750 0.7101 -4.9050 0.2250 0.1587 -0.1266 0.1543 0.0721 0.0636 0.1752 0.1558 0.0610 0.0000 -0.6295 -0.4519 -0.1091 -0.0904 266.2806 T0379.try7-opt2.gromacs0.repack-nonPC.pdb.gz 208 0.5540 1.6675 1.7129 3.0536 3.0635 3.4556 3.6323 0.8792 -3.9548 0.2414 0.2268 -0.1139 0.0245 0.0048 0.0191 0.5939 0.6621 0.8627 0.0000 -0.5660 -0.4244 -0.0953 -0.0760 266.3888 T0379.try1-opt2.gromacs0.repack-nonPC.pdb.gz 208 0.5412 1.6864 1.6860 3.0164 3.0237 3.3139 3.4865 0.7468 -3.5783 0.2358 0.2673 -0.1016 0.0420 0.0529 0.0562 0.6842 0.7150 0.5807 0.0000 -0.6239 -0.4379 -0.1055 -0.0886 266.7343 T0379.try13-opt2.repack-nonPC.pdb.gz 208 0.5467 1.6323 1.7065 3.0201 3.0226 3.3248 3.4583 0.6201 -4.4448 0.4077 0.1385 -0.1608 0.1422 0.0288 0.0301 0.3804 0.3758 0.2782 0.0000 -0.5986 -0.4363 -0.1000 -0.0774 267.1002 T0379.try13-opt1.pdb.gz 208 0.5572 1.6234 1.7125 3.0031 2.9855 3.2896 3.4593 0.5961 -4.4032 0.4297 0.1394 -0.1612 0.1507 0.0385 0.0322 0.3828 0.3678 0.2818 0.0000 -0.6019 -0.4294 -0.0957 -0.0735 267.1287 T0379.try7-opt2.repack-nonPC.pdb.gz 208 0.5585 1.6709 1.7097 3.0557 3.0654 3.4668 3.6359 0.8989 -4.5041 0.5230 0.1139 -0.0974 0.0715 0.0192 0.0164 0.2937 0.3014 0.4957 0.0000 -0.5976 -0.4415 -0.0990 -0.0776 267.9181 T0379.try11-opt2.gromacs0.repack-nonPC.pdb.gz 208 0.5562 1.6602 1.7183 3.0278 3.0198 3.3312 3.4746 0.6455 -3.4467 0.2384 0.2693 -0.1373 0.0271 0.0192 0.0484 0.6794 0.7054 0.5569 0.0000 -0.5623 -0.4033 -0.0956 -0.0720 267.9537 T0379.try7-opt2.pdb.gz 208 0.5528 1.6709 1.7097 3.0097 3.0094 3.4278 3.6260 0.9191 -4.5430 0.5230 0.1139 -0.0974 0.1212 0.0192 0.0164 0.2937 0.3014 0.4957 0.0000 -0.5718 -0.4415 -0.0990 -0.0776 268.1567 T0379.try11-opt2.gromacs0.pdb.gz 208 0.5558 1.6602 1.7183 3.0384 3.0211 3.3252 3.4783 0.6323 -3.4287 0.2384 0.2693 -0.1373 0.0303 0.0192 0.0484 0.6794 0.7054 0.5569 0.0000 -0.5987 -0.4033 -0.0956 -0.0720 268.2786 T0379.try10-opt2.repack-nonPC.pdb.gz 208 0.5436 1.6651 1.6913 3.0558 3.0406 3.3331 3.4694 0.3406 -4.9161 0.1929 0.1740 -0.1410 0.1665 0.0481 0.0652 0.2657 0.2137 0.0887 0.0000 -0.5963 -0.4235 -0.1000 -0.0763 270.3288 T0379.try10-opt2.gromacs0.pdb.gz 208 0.5511 1.6760 1.7093 3.0334 3.0261 3.3242 3.4734 0.3300 -3.5167 0.2381 0.2660 -0.1331 0.0562 0.0288 0.0576 0.7270 0.6770 0.5358 0.0000 -0.5803 -0.4133 -0.0959 -0.0738 270.4860 T0379.try11-opt2.pdb.gz 208 0.5559 1.6365 1.7239 3.0269 3.0003 3.3120 3.4783 0.6318 -4.5246 0.4146 0.1429 -0.1623 0.1677 0.0481 0.0374 0.3700 0.3471 0.2596 0.0000 -0.5895 -0.4236 -0.0945 -0.0718 270.6309 T0379.try12-opt2.pdb.gz 208 0.5469 1.6592 1.7121 3.0644 3.0862 3.3719 3.5039 0.8308 -4.4928 0.2605 0.1473 -0.1320 0.1061 0.0240 0.0431 0.4382 0.4158 0.3153 0.0000 -0.5520 -0.4108 -0.0880 -0.0645 271.4846 T0379.try5-opt2.gromacs0.pdb.gz 208 0.5676 1.7091 1.7474 3.0253 3.0047 3.3893 3.5745 0.6721 -3.3045 0.2355 0.2542 -0.1325 0.0576 0.0192 0.0477 0.5601 0.6804 0.8732 0.0000 -0.5534 -0.4387 -0.0981 -0.0775 271.8180 T0379.try11-opt2.repack-nonPC.pdb.gz 208 0.5617 1.6365 1.7239 3.0628 3.0309 3.3306 3.4747 0.6439 -4.3965 0.4146 0.1429 -0.1623 0.1523 0.0481 0.0374 0.3700 0.3471 0.2596 0.0000 -0.6037 -0.4236 -0.0945 -0.0718 272.1179 T0379.try10-opt2.gromacs0.repack-nonPC.pdb.gz 208 0.5470 1.6760 1.7093 3.0706 3.0567 3.3505 3.4810 0.3342 -3.6833 0.2381 0.2660 -0.1331 0.0556 0.0288 0.0576 0.7270 0.6770 0.5358 0.0000 -0.5769 -0.4133 -0.0959 -0.0738 272.1563 T0379.try6-opt2.gromacs0.pdb.gz 208 0.5683 1.7086 1.7648 3.0481 3.0079 3.3600 3.5370 0.4310 -3.2919 0.3314 0.2502 -0.0391 0.0369 0.0048 0.0517 0.6379 0.8036 0.9681 0.0000 -0.5784 -0.4287 -0.1013 -0.0787 272.4114 T0379.try5-opt2.pdb.gz 208 0.5667 1.7098 1.7419 2.9828 2.9863 3.3685 3.5741 0.6704 -4.3720 0.4231 0.1378 -0.1351 0.1766 0.0192 0.0482 0.1221 0.1563 0.2835 0.0000 -0.5429 -0.4373 -0.0980 -0.0775 273.0976 T0379.try12-opt2.gromacs0.pdb.gz 208 0.5481 1.6658 1.7164 3.0969 3.1015 3.3859 3.5008 0.8272 -3.5684 0.2539 0.2521 -0.1011 0.0276 0.0337 0.0379 0.7412 0.7068 0.6016 0.0000 -0.5727 -0.3987 -0.0867 -0.0635 273.3170 T0379.try5-opt2.gromacs0.repack-nonPC.pdb.gz 208 0.5735 1.7091 1.7474 3.0583 3.0303 3.4177 3.5803 0.6703 -3.3106 0.2355 0.2542 -0.1325 0.0562 0.0192 0.0477 0.5601 0.6804 0.8732 0.0000 -0.5664 -0.4387 -0.0981 -0.0775 273.8977 T0379.try10-opt2.pdb.gz 208 0.5481 1.6651 1.6913 3.0023 2.9973 3.3126 3.4700 0.3283 -5.1822 0.1929 0.1740 -0.1410 0.2676 0.0481 0.0652 0.2657 0.2137 0.0887 0.0000 -0.5638 -0.4235 -0.1000 -0.0763 274.5167 T0379.try12-opt2.repack-nonPC.pdb.gz 208 0.5621 1.6592 1.7121 3.1154 3.1469 3.4111 3.5138 0.8702 -4.4227 0.2605 0.1473 -0.1320 0.0926 0.0240 0.0431 0.4382 0.4158 0.3153 0.0000 -0.5762 -0.4108 -0.0880 -0.0645 274.8048 T0379.try6-opt2.gromacs0.repack-nonPC.pdb.gz 208 0.5753 1.7086 1.7648 3.1168 3.0285 3.3675 3.5328 0.4310 -3.4563 0.3314 0.2502 -0.0391 0.0484 0.0048 0.0517 0.6379 0.8036 0.9681 0.0000 -0.5728 -0.4287 -0.1013 -0.0787 275.2667 T0379.try5-opt2.repack-nonPC.pdb.gz 208 0.5721 1.7098 1.7419 3.0296 3.0469 3.4167 3.5817 0.7047 -4.2429 0.4231 0.1378 -0.1351 0.1528 0.0192 0.0482 0.1221 0.1563 0.2835 0.0000 -0.5708 -0.4373 -0.0980 -0.0775 275.7128 T0379.try12-opt2.gromacs0.repack-nonPC.pdb.gz 208 0.5596 1.6658 1.7164 3.0984 3.1286 3.4244 3.5086 0.8630 -3.7042 0.2539 0.2521 -0.1011 0.0416 0.0337 0.0379 0.7412 0.7068 0.6016 0.0000 -0.5697 -0.3987 -0.0867 -0.0635 275.8228 T0379.try4-opt2.gromacs0.pdb.gz 208 0.5560 1.6845 1.7453 3.0636 3.0625 3.4030 3.5780 0.5186 -3.3782 0.5032 0.2472 -0.1396 0.0548 0.0240 0.0458 0.6956 0.7438 0.7914 0.0000 -0.5997 -0.4279 -0.1037 -0.0815 276.7275 T0379.try6-opt2.pdb.gz 208 0.5658 1.6935 1.7677 3.0194 2.9958 3.3478 3.5345 0.4291 -4.5764 0.5451 0.1533 -0.0677 0.1626 0.0433 0.0718 0.2369 0.3111 0.4449 0.0000 -0.5723 -0.4294 -0.1010 -0.0791 277.7363 T0379.try6-opt2.repack-nonPC.pdb.gz 208 0.5711 1.6935 1.7677 3.0819 3.0288 3.3730 3.5317 0.4566 -4.2955 0.5451 0.1533 -0.0677 0.1159 0.0433 0.0718 0.2369 0.3111 0.4449 0.0000 -0.5906 -0.4294 -0.1010 -0.0791 278.2067 T0379.try2-opt1.pdb.gz 208 0.5417 1.6730 1.6590 3.0591 3.0250 3.2956 3.4503 0.6811 -4.9700 0.1852 0.1524 -0.1560 0.3403 0.0048 0.0395 0.3737 0.3735 0.2517 0.0000 -0.6254 -0.4540 -0.1035 -0.0840 278.3020 T0379.try4-opt2.gromacs0.repack-nonPC.pdb.gz 208 0.5640 1.6845 1.7453 3.1244 3.1133 3.4180 3.5854 0.5032 -3.3167 0.5032 0.2472 -0.1396 0.0447 0.0240 0.0458 0.6956 0.7438 0.7914 0.0000 -0.5807 -0.4279 -0.1037 -0.0815 279.7340 T0379.try3-opt1.pdb.gz 208 0.5405 1.6586 1.6708 3.0688 3.0434 3.2990 3.4457 0.8505 -4.8785 0.3214 0.1573 -0.1239 0.3173 0.0288 0.0366 0.3034 0.2742 0.1939 0.0000 -0.5756 -0.4258 -0.0993 -0.0813 280.4173 T0379.try4-opt2.pdb.gz 208 0.5522 1.6663 1.7392 3.0170 3.0480 3.3857 3.5745 0.5170 -5.0717 0.5557 0.1646 -0.1671 0.2135 0.0433 0.0735 0.1613 0.1589 0.1671 0.0000 -0.5902 -0.4394 -0.1037 -0.0818 280.4989 T0379.try4-opt2.repack-nonPC.pdb.gz 208 0.5676 1.6663 1.7392 3.0948 3.1201 3.4341 3.5823 0.5116 -4.7770 0.5557 0.1646 -0.1671 0.1419 0.0433 0.0735 0.1613 0.1589 0.1671 0.0000 -0.5828 -0.4394 -0.1037 -0.0818 281.3307 T0379.try15-opt1-scwrl.pdb 208 0.5677 1.6635 1.6932 3.0568 3.0440 3.4051 3.6097 0.7252 -5.0189 0.4220 0.1123 -0.1144 0.3428 0.0096 0.0118 0.2782 0.3017 0.4554 0.0000 -0.5850 -0.4571 -0.1039 -0.0815 282.0697 T0379.try1-opt1.pdb.gz 208 0.5517 1.6746 1.6885 3.0667 3.0328 3.3007 3.4841 0.7610 -4.9090 0.2128 0.1664 -0.1249 0.3340 0.0913 0.0567 0.3508 0.3521 0.2344 0.0000 -0.5995 -0.4421 -0.1037 -0.0857 282.7288 T0379.try7-opt1.pdb.gz 208 0.5569 1.6779 1.7245 3.0529 3.0555 3.4633 3.6314 0.9010 -4.3358 0.5987 0.1280 -0.0922 0.2047 0.0288 0.0335 0.3556 0.3922 0.5782 0.0000 -0.5515 -0.4266 -0.0915 -0.0710 284.7231 T0379.try11-opt1.pdb.gz 208 0.5525 1.6644 1.7075 3.0638 3.0565 3.3642 3.5041 0.7354 -4.3192 0.3629 0.1479 -0.1525 0.3108 0.0577 0.0255 0.5366 0.5113 0.4122 0.0000 -0.5615 -0.3974 -0.0885 -0.0667 286.6767 T0379.try9-opt1-scwrl.pdb.gz 208 0.5662 1.6642 1.6966 3.0632 3.0758 3.4312 3.6092 0.7575 -5.0581 0.4475 0.1157 -0.1119 0.3872 0.0048 0.0163 0.2662 0.2699 0.4291 0.0000 -0.5799 -0.4501 -0.1025 -0.0797 288.4738 T0379.try10-opt1.pdb.gz 208 0.5590 1.6776 1.6882 3.0797 3.0267 3.3347 3.4799 0.3383 -4.9178 0.1863 0.1743 -0.1379 0.3820 0.0625 0.0555 0.4502 0.3959 0.2628 0.0000 -0.5653 -0.4151 -0.0952 -0.0717 288.6367 T0379.try12-opt1.pdb.gz 208 0.5489 1.6538 1.7230 3.1547 3.1566 3.4111 3.5192 0.8736 -4.1328 0.2827 0.1675 -0.1159 0.1948 0.0240 0.0555 0.5253 0.5038 0.3835 0.0000 -0.5428 -0.3974 -0.0835 -0.0603 289.3108 T0379.try5-opt1.pdb.gz 208 0.5702 1.7336 1.7572 3.0509 3.0436 3.4282 3.5969 0.6965 -4.1832 0.4754 0.1375 -0.1163 0.2711 0.0192 0.0541 0.2691 0.3319 0.5099 0.0000 -0.5406 -0.4256 -0.0943 -0.0741 289.9872 T0379.try8-opt1-scwrl.pdb.gz 208 0.5658 1.6763 1.6957 3.0799 3.0952 3.4611 3.6248 0.8215 -5.0233 0.4979 0.1165 -0.1024 0.3774 0.0048 0.0180 0.2698 0.2734 0.4332 0.0000 -0.5670 -0.4409 -0.1001 -0.0778 291.2506 T0379.try6-opt1.pdb.gz 208 0.5661 1.6973 1.7569 3.1047 3.0627 3.3850 3.5533 0.5240 -4.3995 0.4778 0.1598 -0.0618 0.2738 0.0481 0.0764 0.3124 0.3969 0.5617 0.0000 -0.5316 -0.4216 -0.0920 -0.0709 294.4245 T0379.try6-opt1-scwrl.pdb.gz 208 0.5737 1.6973 1.7569 3.1252 3.0945 3.4019 3.5556 0.5140 -4.6848 0.4778 0.1598 -0.0618 0.2705 0.0481 0.0764 0.3124 0.3969 0.5617 0.0000 -0.5230 -0.4216 -0.0920 -0.0709 294.9782 T0379.try4-opt1.pdb.gz 208 0.5693 1.6652 1.7486 3.1191 3.1222 3.4496 3.6023 0.5928 -4.8055 0.5569 0.1557 -0.1574 0.3431 0.0433 0.0709 0.2758 0.2656 0.2506 0.0000 -0.5744 -0.4289 -0.1007 -0.0791 299.3659 T0379.try7-opt1-scwrl.pdb.gz 208 0.5619 1.6779 1.7245 3.0939 3.1255 3.5225 3.6441 0.8686 -4.7769 0.5987 0.1280 -0.0922 0.3887 0.0288 0.0335 0.3556 0.3922 0.5782 0.0000 -0.5438 -0.4266 -0.0915 -0.0710 302.1108 T0379.try1-opt1-scwrl.pdb.gz 208 0.5532 1.6746 1.6885 3.1873 3.0927 3.3619 3.5049 0.6949 -5.2318 0.2128 0.1664 -0.1249 0.6251 0.0913 0.0567 0.3508 0.3521 0.2344 0.0000 -0.6084 -0.4421 -0.1037 -0.0857 310.7341 T0379.try2-opt1-scwrl.pdb.gz 208 0.5452 1.6730 1.6590 3.2211 3.1324 3.3383 3.4715 0.6711 -5.2242 0.1852 0.1524 -0.1560 0.6657 0.0048 0.0395 0.3737 0.3735 0.2517 0.0000 -0.6089 -0.4540 -0.1035 -0.0840 311.6856 T0379.try5-opt1-scwrl.pdb.gz 208 0.5958 1.7336 1.7572 3.0901 3.1468 3.4921 3.6092 0.7102 -4.8334 0.4754 0.1375 -0.1163 0.5040 0.0192 0.0541 0.2691 0.3319 0.5099 0.0000 -0.5536 -0.4256 -0.0943 -0.0741 311.7918 T0379.try3-opt1-scwrl.pdb.gz 208 0.5544 1.6586 1.6708 3.1545 3.1215 3.3543 3.4640 0.7923 -5.1332 0.3214 0.1573 -0.1239 0.6957 0.0288 0.0366 0.3034 0.2742 0.1939 0.0000 -0.5810 -0.4258 -0.0993 -0.0813 315.4424 T0379.try14-opt1-scwrl.pdb.gz 208 0.5659 1.6239 1.7074 3.1589 3.0892 3.3583 3.4714 0.5684 -5.3467 0.3889 0.1383 -0.1655 0.7550 0.0288 0.0307 0.3583 0.3554 0.2537 0.0000 -0.5863 -0.4381 -0.1015 -0.0785 318.3719 T0379.try4-opt1-scwrl.pdb.gz 208 0.5834 1.6652 1.7486 3.1424 3.2215 3.5046 3.6243 0.6404 -5.1259 0.5569 0.1557 -0.1574 0.5386 0.0433 0.0709 0.2758 0.2656 0.2506 0.0000 -0.5610 -0.4289 -0.1007 -0.0791 318.8904 T0379.try10-opt1-scwrl.pdb.gz 208 0.5596 1.6776 1.6882 3.1997 3.1055 3.3558 3.4904 0.3104 -5.2997 0.1863 0.1743 -0.1379 0.7188 0.0625 0.0555 0.4502 0.3959 0.2628 0.0000 -0.5573 -0.4151 -0.0952 -0.0717 319.8902 T0379.try11-opt1-scwrl.pdb.gz 208 0.5609 1.6644 1.7075 3.1723 3.1203 3.4107 3.5138 0.7238 -5.0273 0.3629 0.1479 -0.1525 0.7139 0.0577 0.0255 0.5366 0.5113 0.4122 0.0000 -0.5560 -0.3974 -0.0885 -0.0667 321.8378 T0379.try13-opt1-scwrl.pdb.gz 208 0.5592 1.6234 1.7125 3.1773 3.1055 3.3667 3.4742 0.5779 -5.1780 0.4297 0.1394 -0.1612 0.7642 0.0385 0.0322 0.3828 0.3678 0.2818 0.0000 -0.5826 -0.4294 -0.0957 -0.0735 322.7867 T0379.try12-opt1-scwrl.pdb.gz 208 0.5580 1.6538 1.7230 3.3092 3.2247 3.4674 3.5372 0.7980 -4.9959 0.2827 0.1675 -0.1159 0.6615 0.0240 0.0555 0.5253 0.5038 0.3835 0.0000 -0.5491 -0.3974 -0.0835 -0.0603 330.2844