# cost function cost = # ( 15 * wet6.5(6.5, /log(length)) + 5 * near_backbone(9.65) + 5 * way_back(8.9) + 20 * dry5(5) + 25 * dry6.5(6.5) + 15 * dry8(8) + 10 * dry12(12) + 4 * phobic_fit + 5 * sidechain + 5 * n_ca_c + 10 * bad_peptide + 5 * bystroff + 20 * soft_clashes + 2 * backbone_clashes + 60 * break + 4 * pred_alpha2k + 4 * pred_alpha04 + 10 * constraints + 5 * hbond_geom + 10 * hbond_geom_backbone ) 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 constraints hbond_geom hbond_geom_backbone cost 10S 5N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N T0283.try7-opt2.pdb.gz 112 0.5330 1.5160 1.5465 2.8001 2.8946 3.2733 3.4991 -0.0628 -6.1306 0.1963 0.0907 -0.0820 0.1305 0.0357 0.0274 -0.4001 -0.4115 -0.7170 -0.6860 -0.5678 191.1425 T0283.try8-opt2.pdb.gz 112 0.5341 1.5290 1.5508 2.8209 2.8939 3.2826 3.5240 -0.0446 -6.1692 0.2067 0.0878 -0.0767 0.1247 0.0536 0.0228 -0.3655 -0.3720 -0.7062 -0.6685 -0.5611 192.1624 T0283.try4-opt2.pdb.gz 112 0.5560 1.5614 1.5730 2.8458 2.9448 3.2704 3.5178 -0.1393 -6.2559 0.1926 0.0739 -0.0870 0.1614 0.0179 0.0100 -0.2055 -0.1578 -0.6640 -0.7166 -0.5881 194.5202 T0283.try7-opt1.pdb.gz 112 0.5358 1.5207 1.5500 2.8087 2.9109 3.3017 3.5073 -0.0118 -5.9256 0.1940 0.0879 -0.0800 0.1834 0.0536 0.0257 -0.3691 -0.3781 -0.7050 -0.6837 -0.5584 194.9851 T0283.try6-opt2.pdb.gz 112 0.5330 1.5408 1.5620 2.8063 2.9123 3.3167 3.5164 0.0261 -5.9787 0.1979 0.0876 -0.0492 0.1770 0.0625 0.0270 -0.3650 -0.3747 -0.7012 -0.7031 -0.5515 195.4708 T0283.try1-opt2.pdb.gz 112 0.5503 1.5501 1.5767 2.8456 2.9170 3.2964 3.5847 0.3593 -6.2963 0.2203 0.0702 -0.0383 0.0873 0.0089 0.0065 -0.1185 -0.1027 -0.6143 -0.6888 -0.5882 196.3887 T0283.try8-opt1.pdb.gz 112 0.5406 1.5260 1.5591 2.8379 2.9083 3.2982 3.5192 -0.0129 -5.8733 0.2039 0.0896 -0.0800 0.1944 0.0714 0.0250 -0.3683 -0.3748 -0.7014 -0.6462 -0.5594 196.4815 T0283.try7-opt2.repack-nonPC.pdb.gz 112 0.5569 1.5160 1.5465 2.8982 2.9674 3.3235 3.5245 -0.0080 -5.9619 0.1963 0.0907 -0.0820 0.0843 0.0357 0.0274 -0.4001 -0.4115 -0.6992 -0.6571 -0.5678 196.7499 T0283.try8-opt2.repack-nonPC.pdb.gz 112 0.5437 1.5290 1.5508 2.9072 2.9825 3.3044 3.5308 -0.0763 -5.9229 0.2067 0.0878 -0.0767 0.1025 0.0536 0.0228 -0.3655 -0.3720 -0.6907 -0.6494 -0.5611 197.5535 T0283.try4-opt1.pdb.gz 112 0.5575 1.5607 1.5904 2.8856 2.9660 3.3170 3.5553 -0.0400 -5.9586 0.2037 0.0681 -0.0674 0.1944 0.0179 0.0089 -0.1581 -0.0954 -0.6447 -0.6986 -0.5745 200.4563 T0283.try6-opt1.pdb.gz 112 0.5378 1.5371 1.5720 2.8459 2.9385 3.3336 3.5243 0.0622 -5.8269 0.1949 0.0902 -0.0360 0.2566 0.0893 0.0230 -0.3128 -0.2712 -0.6937 -0.6630 -0.5517 200.6319 T0283.try5-opt2.pdb.gz 112 0.5196 1.4857 1.5206 2.8111 2.9813 3.4135 3.6293 1.0694 -6.1050 0.2705 0.1051 -0.1281 0.0994 0.0268 0.0281 -0.3979 -0.4520 -0.7016 -0.6435 -0.5627 201.0563 T0283.try6-opt2.repack-nonPC.pdb.gz 112 0.5564 1.5408 1.5620 2.9104 2.9940 3.3787 3.5473 0.1313 -5.9587 0.1979 0.0876 -0.0492 0.1399 0.0625 0.0270 -0.3650 -0.3747 -0.6903 -0.6302 -0.5515 201.4377 T0283.try4-opt2.gromacs0.pdb.gz 112 0.5627 1.5828 1.6003 2.9086 2.9502 3.2738 3.5226 -0.1405 -5.4025 0.1489 0.2043 -0.0230 0.0605 0.0089 0.0090 -0.0208 0.0347 -0.6454 -0.7064 -0.5743 201.8070 T0283.try1-opt2.gromacs0.pdb.gz 112 0.5477 1.5497 1.5913 2.8807 2.9395 3.2955 3.5856 0.3578 -5.5387 0.1399 0.1838 -0.0289 0.0262 0.0089 0.0045 -0.0042 0.0178 -0.6129 -0.6960 -0.5846 201.8487 T0283.try1-opt2.repack-nonPC.pdb.gz 112 0.5589 1.5501 1.5767 2.9239 2.9975 3.3744 3.6117 0.4851 -6.1666 0.2203 0.0702 -0.0383 0.0465 0.0089 0.0065 -0.1185 -0.1027 -0.6044 -0.6826 -0.5882 201.9998 T0283.try3-opt2.pdb.gz 112 0.4660 1.3691 1.4900 2.8670 3.0488 3.5218 3.8073 1.0275 -6.5191 0.1179 0.0788 -0.1094 0.0986 0.0625 0.0217 -0.4117 -0.5538 -0.5822 -0.7139 -0.6186 202.0529 T0283.try4-opt2.repack-nonPC.pdb.gz 112 0.5673 1.5614 1.5730 3.0267 3.0430 3.3868 3.5747 -0.0094 -6.2597 0.1926 0.0739 -0.0870 0.0814 0.0179 0.0100 -0.2055 -0.1578 -0.6692 -0.6764 -0.5881 202.1281 T0283.first_try-opt2.pdb.gz 112 0.5437 1.4598 1.5581 2.8335 2.9923 3.4806 3.7423 0.5554 -6.4031 0.1966 0.0766 -0.0808 0.0748 0.0000 0.0046 -0.0161 -0.0607 -0.5216 -0.7464 -0.6117 202.3062 T0283.try1-opt1.pdb.gz 112 0.5574 1.5443 1.5879 2.8945 2.9669 3.3606 3.6179 0.5339 -6.1130 0.2446 0.0685 -0.0263 0.1087 0.0268 0.0075 -0.1344 -0.1367 -0.6131 -0.6560 -0.5661 202.5428 T0283.try7-opt2.gromacs0.pdb.gz 112 0.5414 1.5386 1.5497 2.8275 2.9224 3.2906 3.5044 -0.0661 -4.7386 0.1357 0.2214 0.0099 0.0319 0.0089 0.0188 0.1600 0.2416 -0.7084 -0.6597 -0.5486 204.0846 T0283.try8-opt2.gromacs0.pdb.gz 112 0.5415 1.5384 1.5585 2.8506 2.9245 3.2892 3.5312 -0.0438 -4.7942 0.1450 0.2184 -0.0550 0.0291 0.0268 0.0233 0.1788 0.2693 -0.7038 -0.6653 -0.5534 204.7961 T0283.try3-opt2.repack-nonPC.pdb.gz 112 0.4927 1.3691 1.4900 2.9066 3.0751 3.5522 3.8562 1.1808 -6.6660 0.1179 0.0788 -0.1094 0.1088 0.0625 0.0217 -0.4117 -0.5538 -0.5733 -0.7185 -0.6186 204.9989 T0283.try5-opt2.repack-nonPC.pdb.gz 112 0.5197 1.4857 1.5206 2.9057 3.0276 3.4530 3.6600 1.1726 -6.0335 0.2705 0.1051 -0.1281 0.0685 0.0268 0.0281 -0.3979 -0.4520 -0.6988 -0.6198 -0.5627 205.3075 helix81-92rotateFromTry6.renum.pdb 112 0.5316 1.5352 1.5602 2.8437 2.9539 3.3457 3.5450 0.1216 -5.5872 0.1977 0.0877 -0.0758 0.4884 0.0893 0.0270 -0.3665 -0.3737 -0.6896 -0.6676 -0.5535 206.6800 T0283.try2-opt2.pdb.gz 112 0.5013 1.4599 1.5373 2.8397 2.9215 3.3952 3.7262 1.7800 -6.3482 0.1154 0.0980 -0.1048 0.1276 0.0268 0.0292 -0.0200 -0.0727 -0.4023 -0.7197 -0.6153 207.1518 T0283.try6-opt2.gromacs0.pdb.gz 112 0.5431 1.5409 1.5750 2.8466 2.9378 3.3274 3.5209 0.0203 -4.6065 0.1492 0.2225 0.0099 0.0279 0.0357 0.0230 0.1639 0.2516 -0.7010 -0.6871 -0.5328 207.1856 T0283.first_try-opt2.gromacs0.pdb.gz 112 0.5453 1.4828 1.5788 2.8618 3.0102 3.4900 3.7479 0.5523 -5.6271 0.1443 0.1768 -0.0648 0.0150 0.0000 0.0042 -0.0011 -0.0525 -0.5107 -0.7306 -0.5701 207.9244 helix80-93rotateFromTry6.renum.pdb 112 0.5411 1.5591 1.5580 2.8554 2.9532 3.2903 3.4838 -0.2175 -5.9281 0.1975 0.0877 -0.0492 0.7868 0.0625 0.0270 -0.3650 -0.3747 -0.7052 -0.7001 -0.5515 208.3946 T0283.first_try-opt2.repack-nonPC.pdb.gz 112 0.5855 1.4598 1.5581 2.9281 3.0805 3.5290 3.7442 0.5426 -6.1515 0.1966 0.0766 -0.0808 0.0470 0.0000 0.0046 -0.0161 -0.0607 -0.5073 -0.7772 -0.6117 208.4176 T0283.try3-opt2.gromacs0.pdb.gz 112 0.4737 1.4095 1.4972 2.8883 3.0779 3.5286 3.8103 1.0324 -5.6681 0.1352 0.1897 -0.1021 0.0134 0.0000 0.0183 -0.2607 -0.4236 -0.5471 -0.7195 -0.6112 208.6831 T0283.first_try-opt1.pdb.gz 112 0.5620 1.4675 1.5798 2.9353 3.0489 3.5358 3.7519 0.6036 -6.3122 0.2179 0.0722 -0.0671 0.1063 0.0089 0.0026 -0.0327 -0.0769 -0.5155 -0.6950 -0.5810 208.8990 T0283.try1-opt1-scwrl.pdb.gz 112 0.5764 1.5443 1.5879 3.0195 3.0236 3.3897 3.6264 0.4865 -6.3829 0.2446 0.0685 -0.0263 0.2868 0.0268 0.0075 -0.1344 -0.1367 -0.6088 -0.6485 -0.5661 209.3681 T0283.try5-opt2.gromacs0.pdb.gz 112 0.5244 1.4754 1.5292 2.8750 3.0164 3.4254 3.6320 1.0690 -5.0909 0.1372 0.1985 -0.0869 0.0227 0.0089 0.0044 -0.0246 -0.0618 -0.6889 -0.6380 -0.5473 209.3933 T0283.try5-opt1.pdb.gz 112 0.5287 1.4875 1.5357 2.9023 3.0241 3.4716 3.6777 1.2566 -5.8109 0.3124 0.1069 -0.1488 0.1740 0.0268 0.0220 -0.2862 -0.3129 -0.6805 -0.6183 -0.5297 210.6679 T0283.try3-opt1.pdb.gz 112 0.4756 1.4163 1.4869 2.9122 3.0599 3.5567 3.8282 1.1061 -6.1427 0.1046 0.0922 -0.1042 0.2384 0.0804 0.0213 -0.3365 -0.5061 -0.5550 -0.6763 -0.5800 210.7640 T0283.try4-opt1-scwrl.pdb.gz 112 0.5670 1.5607 1.5904 3.0448 3.0837 3.4361 3.6104 0.0529 -6.3836 0.2037 0.0681 -0.0674 0.3728 0.0179 0.0089 -0.1581 -0.0954 -0.6638 -0.6655 -0.5745 210.8541 T0283.try8-opt1-scwrl.pdb.gz 112 0.5660 1.5260 1.5591 2.9407 3.0000 3.3682 3.5689 0.0680 -6.4547 0.2039 0.0896 -0.0800 0.7337 0.0714 0.0250 -0.3683 -0.3748 -0.6756 -0.6581 -0.5594 211.1579 g79-80coil.try1.renum.pdb 112 0.5393 1.6163 1.5846 2.8383 2.9714 3.3992 3.5793 0.3577 -5.7827 0.1924 0.0739 -0.0274 0.4999 0.1071 0.0100 -0.0236 0.0567 -0.6851 -0.6433 -0.5664 211.2229 T0283.first_try-opt1-scwrl.pdb.gz 112 0.5650 1.4675 1.5798 2.9568 3.0912 3.5412 3.7606 0.5359 -6.3964 0.2179 0.0722 -0.0671 0.1759 0.0089 0.0026 -0.0327 -0.0769 -0.5123 -0.6841 -0.5810 211.3886 T0283.try7-opt1-scwrl.pdb.gz 112 0.5611 1.5207 1.5500 2.9346 3.0063 3.4041 3.5444 -0.0021 -6.4753 0.1940 0.0879 -0.0800 0.7955 0.0536 0.0257 -0.3691 -0.3781 -0.6876 -0.6331 -0.5584 212.1348 T0283.try2-opt2.repack-nonPC.pdb.gz 112 0.4977 1.4599 1.5373 2.9624 2.9957 3.4747 3.7453 1.8390 -6.3246 0.1154 0.0980 -0.1048 0.0903 0.0268 0.0292 -0.0200 -0.0727 -0.3916 -0.7461 -0.6153 212.3770 T0283.try2-opt1.pdb.gz 112 0.5060 1.4379 1.5423 2.8614 2.9552 3.4355 3.7435 2.0870 -6.1713 0.2492 0.1065 -0.0888 0.1316 0.0446 0.0291 -0.0222 -0.0752 -0.3785 -0.7070 -0.5948 212.7345 T0283.try5-opt1-scwrl.pdb.gz 112 0.5517 1.4875 1.5357 2.9542 3.0139 3.4871 3.6827 1.3474 -6.1413 0.3124 0.1069 -0.1488 0.2804 0.0268 0.0220 -0.2862 -0.3129 -0.6734 -0.6261 -0.5297 212.9500 T0283.try3-opt1-scwrl.pdb.gz 112 0.4949 1.4163 1.4869 2.9534 3.1047 3.5742 3.8613 1.0994 -6.7186 0.1046 0.0922 -0.1042 0.3807 0.0804 0.0213 -0.3365 -0.5061 -0.5621 -0.6741 -0.5800 213.4715 T0283.try6-opt1-scwrl.pdb.gz 112 0.5617 1.5371 1.5720 2.9513 3.0171 3.4156 3.5835 0.1632 -6.2848 0.1949 0.0902 -0.0360 0.7281 0.0893 0.0230 -0.3128 -0.2712 -0.6891 -0.6534 -0.5517 214.5239 T0283.try2-opt2.gromacs0.pdb.gz 112 0.5087 1.4573 1.5441 2.8718 2.9449 3.4048 3.7315 1.7818 -5.1379 0.1974 0.1987 0.0066 0.0374 0.0179 0.0317 0.1469 0.1215 -0.3975 -0.7250 -0.6088 216.5961 robetta-model5.pdb.gz 112 0.5967 1.4866 1.5098 2.9846 3.2009 3.5230 3.7011 0.4211 -5.7338 0.0006 0.0501 -0.0277 0.1410 0.0446 0.0000 -0.0815 -0.0557 -0.5586 -0.5635 -0.4215 216.6248 T0283.try2-opt1-scwrl.pdb.gz 112 0.5024 1.4379 1.5423 2.9658 3.0381 3.5280 3.7893 2.0808 -6.6276 0.2492 0.1065 -0.0888 0.2198 0.0446 0.0291 -0.0222 -0.0752 -0.3809 -0.6906 -0.5948 218.2005 robetta-model3.pdb.gz 112 0.5485 1.5536 1.5840 3.0382 3.1223 3.4734 3.5868 0.0565 -5.8010 0.0006 0.0466 -0.0931 0.3107 0.0625 0.0000 0.0990 0.0891 -0.1997 -0.4751 -0.3942 220.7090 robetta-model9.pdb.gz 112 0.5366 1.5082 1.5180 3.0536 3.2659 3.5529 3.6628 -0.0576 -5.8277 0.0006 0.0642 -0.0596 0.2870 0.0089 0.0041 0.2052 0.2185 -0.0714 -0.5209 -0.4264 226.9116 robetta-model7.pdb.gz 112 0.5504 1.6189 1.5972 3.0419 3.2202 3.5988 3.7868 1.4058 -5.6494 0.0006 0.0408 -0.1513 0.1834 0.0357 0.0000 -0.0292 0.0133 -0.3083 -0.5861 -0.4339 227.8856 robetta-model1.pdb.gz 112 0.5617 1.5667 1.5591 3.0105 3.2006 3.5332 3.6545 0.4168 -5.6297 0.0006 0.0758 -0.1274 0.1501 0.0536 0.0000 0.4530 0.5588 0.0761 -0.5039 -0.3689 229.1740 g80.randomPerturbOfG80coil.renum.gromacs0.pdb.gz 112 0.6375 1.7002 1.7497 4.0769 4.6468 5.1670 3.7108 -0.8013 1.8892 1.7516 0.5235 -0.0004 1.5198 0.6161 0.3462 0.7320 0.8360 -0.4875 -0.5187 -0.3427 407.1450 g80.randomPerturbOfG80coil.renum.pdb.gz 112 0.6952 1.7541 1.8064 5.2363 5.5124 6.0026 3.8050 -0.8067 -3.5513 0.1923 0.0737 0.0589 4.4686 0.6607 0.0100 0.1401 0.1612 -0.6560 -0.6609 -0.5342 457.1589 robetta-model8.pdb.gz 112 0.5021 1.4172 1.5403 3.7456 4.2708 4.4229 4.4805 15.0055 1423.4775 0.0838 0.1799 -0.0802 0.0197 0.0446 0.5710 -0.1210 -0.1743 0.8811 -0.6129 -0.6129 7527.5581 robetta-model6.pdb.gz 112 0.5120 1.4217 1.5170 3.8294 4.2890 4.3597 4.4020 15.0708 1477.1897 0.0925 0.1697 0.0131 0.0304 0.0357 0.5790 0.0184 0.0214 0.8048 -0.5619 -0.5619 7799.2571 robetta-model2.pdb.gz 112 0.5154 1.5001 1.5915 3.6225 4.1587 4.1859 4.3144 63.4737 637638.6181 0.0530 0.1635 -0.0339 0.0361 0.0804 0.5148 -0.0219 -0.0462 1.4633 -0.5578 -0.5578 3188792.0193 robetta-model4.pdb.gz 112 0.5275 1.5480 1.6263 3.8825 4.3491 4.4399 4.4886 63.7302 658088.1853 0.0519 0.2839 -0.0410 0.0078 0.0000 0.6277 0.0172 0.1342 1.4677 -0.5467 -0.5467 3291065.2883 robetta-model10.pdb.gz 112 0.4982 1.5124 1.5588 3.7470 4.1872 4.3333 4.4066 65.2210 789830.2666 0.0446 0.1781 -0.1162 0.0031 0.0179 0.0365 0.2142 0.2507 0.0561 -0.5142 -0.5142 3949722.1555