# 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 + 5 * sidechain + 5 * n_ca_c + 10 * bad_peptide + 5 * bystroff + 20 * soft_clashes + 2 * backbone_clashes + 50 * break + 2 * pred_alpha2k + 2 * pred_alpha04 + 2 * pred_alpha06 + 10 * constraints + 5 * hbond_geom + 10 * hbond_geom_backbone + 50 * hbond_geom_beta + 100 * hbond_geom_beta_pair + 0.5 * maybe_metal + 1 * maybe_ssbond ) 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 maybe_metal maybe_ssbond 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 10N 10N T0288.try5-opt2.pdb.gz 93 0.5783 1.5984 1.6298 3.2227 3.2125 3.5030 3.6537 -0.4423 -5.6508 0.4744 0.1030 -0.3270 0.0770 0.0108 0.0278 0.2120 0.1717 0.2064 -0.4491 -0.5272 -0.4205 -0.2423 -0.1459 0.0000 0.0000 146.9458 T0288.try5-opt1.pdb.gz 93 0.5889 1.6003 1.6262 3.2272 3.2207 3.5033 3.6593 -0.4515 -5.2119 0.4831 0.0903 -0.2766 0.0987 0.0108 0.0183 0.4045 0.3973 0.4303 -0.4586 -0.5272 -0.4240 -0.2440 -0.1487 0.0000 0.0000 150.4424 T0288.try1-opt2.pdb.gz 93 0.5909 1.6061 1.6308 3.2257 3.2175 3.5035 3.6575 -0.4713 -5.0563 0.4715 0.0890 -0.2797 0.1269 0.0108 0.0170 0.4168 0.4167 0.4615 -0.4623 -0.5178 -0.4157 -0.2431 -0.1498 0.0000 0.0000 151.7474 T0288.try2-opt2.pdb.gz 93 0.6311 1.6968 1.6794 3.3439 3.2865 3.5102 3.6698 -0.3855 -5.5852 0.3793 0.1302 -0.2645 0.0264 0.0000 0.0869 0.3761 0.3538 0.3663 -0.3092 -0.5409 -0.4246 -0.2600 -0.1842 0.0000 0.0000 152.0216 T0288.try3-opt2.pdb.gz 93 0.6314 1.6153 1.6444 3.1760 3.2316 3.5427 3.6965 -0.3463 -5.0468 0.4002 0.0901 -0.2717 0.0816 0.0000 0.0077 0.6307 0.5920 0.6081 -0.4467 -0.5572 -0.4333 -0.2442 -0.1440 0.0000 0.0000 152.7679 T0288.try4-opt2.pdb.gz 93 0.5986 1.5643 1.5770 3.2021 3.2148 3.4782 3.5892 -0.5367 -4.8499 0.4429 0.1175 -0.2417 0.0798 0.0323 0.0602 0.4275 0.4087 0.4420 -0.4658 -0.5040 -0.4062 -0.2425 -0.1438 0.0000 0.0000 153.4770 T0288.try5-opt2.repack-nonPC.pdb.gz 93 0.6403 1.5984 1.6298 3.2883 3.2944 3.5857 3.6934 -0.4045 -5.3106 0.4744 0.1030 -0.3270 0.0686 0.0108 0.0278 0.2120 0.1717 0.2064 -0.4471 -0.5394 -0.4205 -0.2423 -0.1459 0.0000 0.0000 153.5073 T0288.try1-opt2.repack-nonPC.pdb.gz 93 0.6425 1.6061 1.6308 3.2737 3.2992 3.5909 3.6864 -0.4019 -4.8160 0.4715 0.0890 -0.2797 0.0747 0.0108 0.0170 0.4168 0.4167 0.4615 -0.4520 -0.5456 -0.4157 -0.2431 -0.1498 0.0000 0.0000 156.5891 T0288.try5-opt2.gromacs0.pdb.gz 93 0.5825 1.6530 1.6653 3.2535 3.2373 3.5065 3.6573 -0.4428 -4.5034 0.2722 0.2085 -0.2195 0.0176 0.0108 0.0112 0.7388 0.7137 0.7397 -0.4338 -0.5141 -0.4176 -0.2379 -0.1434 0.0000 0.0000 156.7063 T0288.try2-opt2.repack-nonPC.pdb.gz 93 0.6303 1.6968 1.6794 3.4144 3.3371 3.5455 3.6821 -0.3563 -5.1118 0.3793 0.1302 -0.2645 0.0233 0.0000 0.0869 0.3761 0.3538 0.3663 -0.3104 -0.5119 -0.4246 -0.2600 -0.1842 0.0000 0.0000 157.1656 T0288.try5-opt1-scwrl.pdb.gz 93 0.6286 1.6003 1.6262 3.2538 3.3122 3.5749 3.6918 -0.4170 -5.3689 0.4831 0.0903 -0.2766 0.2636 0.0108 0.0183 0.4045 0.3973 0.4303 -0.4537 -0.5017 -0.4240 -0.2440 -0.1487 0.0000 0.0000 157.2639 T0288.try3-opt2.repack-nonPC.pdb.gz 93 0.6346 1.6153 1.6444 3.2110 3.3124 3.6105 3.7194 -0.2450 -4.6651 0.4002 0.0901 -0.2717 0.0400 0.0000 0.0077 0.6307 0.5920 0.6081 -0.4413 -0.5624 -0.4333 -0.2442 -0.1440 0.0000 0.0000 157.3979 T0288.try1-opt2.gromacs0.pdb.gz 93 0.5909 1.6457 1.6419 3.2344 3.2529 3.5093 3.6591 -0.4652 -4.4237 0.3130 0.2238 -0.2020 0.0390 0.0108 0.0055 0.7387 0.7118 0.7436 -0.4351 -0.5048 -0.4083 -0.2355 -0.1455 0.0000 0.0000 157.7404 T0288.try2-opt1.pdb.gz 93 0.6302 1.6919 1.7040 3.3339 3.3092 3.5553 3.7013 -0.3665 -4.9009 0.3868 0.1171 -0.2238 0.0527 0.0000 0.0749 0.4983 0.4796 0.4919 -0.3145 -0.5436 -0.4167 -0.2541 -0.1789 0.0000 0.0000 158.3267 T0288.try1-opt1.pdb.gz 93 0.6093 1.6096 1.6445 3.2442 3.2587 3.5414 3.6717 -0.4743 -4.7076 0.4921 0.0699 -0.1735 0.1450 0.0000 0.0090 0.4986 0.5051 0.5487 -0.4459 -0.4956 -0.4067 -0.2293 -0.1419 0.0000 0.0000 158.3280 T0288.try3-opt2.gromacs0.pdb.gz 93 0.6379 1.6307 1.6644 3.2168 3.2496 3.5416 3.6943 -0.3442 -4.3767 0.2496 0.2081 -0.1322 0.0196 0.0000 0.0105 0.7717 0.7247 0.7291 -0.4377 -0.5680 -0.4275 -0.2406 -0.1413 0.0000 0.0000 158.6873 T0288.try4-opt1.pdb.gz 93 0.6186 1.5775 1.5827 3.2223 3.2792 3.5198 3.5988 -0.5151 -4.7297 0.4665 0.1119 -0.1901 0.1183 0.0430 0.0605 0.4266 0.4079 0.4418 -0.4494 -0.4872 -0.3954 -0.2344 -0.1370 0.0000 0.0000 159.3394 T0288.try3-opt1.pdb.gz 93 0.6342 1.6313 1.6634 3.2315 3.2817 3.5650 3.6981 -0.2872 -4.6196 0.4452 0.0727 -0.1196 0.0924 0.0108 0.0061 0.6085 0.5702 0.5893 -0.4463 -0.5148 -0.4129 -0.2373 -0.1379 0.0000 0.0000 159.6271 T0288.try4-opt2.repack-nonPC.pdb.gz 93 0.6338 1.5643 1.5770 3.2725 3.3009 3.5294 3.6084 -0.4859 -4.3993 0.4429 0.1175 -0.2417 0.0565 0.0323 0.0602 0.4275 0.4087 0.4420 -0.4533 -0.4955 -0.4062 -0.2425 -0.1438 0.0000 0.0000 159.7012 T0288.try2-opt2.gromacs0.pdb.gz 93 0.6325 1.7470 1.6678 3.3969 3.2916 3.5099 3.6665 -0.3927 -4.3075 0.4083 0.2374 -0.2441 0.0080 0.0430 0.0556 0.6598 0.6299 0.6579 -0.3223 -0.5430 -0.4248 -0.2564 -0.1818 0.0000 0.0000 160.9312 T0288.try2-opt1-scwrl.pdb.gz 93 0.6225 1.6919 1.7040 3.4285 3.3357 3.5398 3.6822 -0.3913 -5.1277 0.3868 0.1171 -0.2238 0.1712 0.0000 0.0749 0.4983 0.4796 0.4919 -0.3086 -0.4927 -0.4167 -0.2541 -0.1789 0.0000 0.0000 161.3309 T0288.try1-opt1-scwrl.pdb.gz 93 0.6363 1.6096 1.6445 3.2544 3.3107 3.5770 3.6880 -0.4463 -4.8689 0.4921 0.0699 -0.1735 0.2485 0.0000 0.0090 0.4986 0.5051 0.5487 -0.4470 -0.4947 -0.4067 -0.2293 -0.1419 0.0000 0.0000 161.8532 T0288.try4-opt1-scwrl.pdb.gz 93 0.6208 1.5775 1.5827 3.2589 3.2928 3.5044 3.5840 -0.5063 -4.9594 0.4665 0.1119 -0.1901 0.3171 0.0430 0.0605 0.4266 0.4079 0.4418 -0.4528 -0.4904 -0.3954 -0.2344 -0.1370 0.0000 0.0000 162.6853 T0288.try3-opt1-scwrl.pdb.gz 93 0.6291 1.6313 1.6634 3.2489 3.3127 3.5938 3.7036 -0.2616 -4.8487 0.4452 0.0727 -0.1196 0.2436 0.0108 0.0061 0.6085 0.5702 0.5893 -0.4449 -0.4905 -0.4129 -0.2373 -0.1379 0.0000 0.0000 162.9574 T0288.try4-opt2.gromacs0.pdb.gz 93 0.5922 1.6148 1.6057 3.2183 3.2583 3.4891 3.6077 -0.5356 -3.5031 0.8453 0.2437 -0.2388 0.0331 0.0645 0.0398 0.7524 0.7426 0.7710 -0.4447 -0.4961 -0.3957 -0.2340 -0.1378 0.0000 0.0000 166.6337 robetta-model1.pdb.gz 93 0.5813 1.6269 1.5956 3.3266 3.4935 3.5297 3.6181 -0.6708 -4.3183 0.2227 0.1877 -0.2990 0.0219 0.0000 0.0401 0.7631 0.6306 0.6544 -0.3597 -0.4331 -0.3335 -0.2019 -0.1251 0.0000 0.0000 169.0322 robetta-model5.pdb.gz 93 0.6136 1.6556 1.6323 3.3667 3.4106 3.5402 3.6191 -0.5313 -3.8148 0.2244 0.2092 -0.2440 0.0143 0.0108 0.0771 0.6958 0.6179 0.6451 -0.3983 -0.4592 -0.3427 -0.2054 -0.1288 -1.0344 0.0000 172.1168 robetta-model4.pdb.gz 93 0.6347 1.6415 1.6981 3.4259 3.4768 3.5911 3.6680 -0.2591 -4.3378 0.1810 0.1805 -0.3643 0.0142 0.0108 0.0419 0.8812 0.7360 0.7474 -0.0590 -0.4932 -0.3236 -0.1831 -0.0849 0.0000 0.0000 181.2235 robetta-model3.pdb.gz 93 0.6140 1.6606 1.6014 3.3974 3.5551 3.6774 3.7107 -0.1852 -3.9024 0.2230 0.1986 -0.2616 0.0379 0.0000 0.0777 0.8348 0.7707 0.8056 -0.3542 -0.4530 -0.3345 -0.2030 -0.1188 0.0000 0.0000 181.4848 robetta-model2.pdb.gz 93 0.6120 1.8075 1.7347 3.4289 3.4985 3.6873 3.8230 0.1021 -1.8306 0.0071 0.0323 -0.2544 0.1229 0.0108 0.0000 1.0724 1.0762 1.0964 -0.1330 -0.1279 -0.0936 -0.0468 -0.0205 0.0000 0.0000 214.5279