# 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 + 1 * missing_atoms ) 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 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 10N T0370.try39-opt2.pdb.gz 154 0.5302 1.6651 1.6305 2.8929 3.0019 3.3083 3.5116 -0.2032 -5.1660 0.3611 0.1243 -0.1316 0.1347 0.0260 0.0389 0.2793 0.2222 0.1674 -0.5519 -0.6270 -0.4860 -0.2193 -0.1851 0.0000 134.2429 T0370.try37-opt2.pdb.gz 154 0.5346 1.6494 1.6210 2.9305 3.0108 3.3172 3.4718 -0.2860 -5.2053 0.3497 0.1281 -0.1466 0.1272 0.0260 0.0425 0.3726 0.3003 0.2765 -0.3268 -0.6195 -0.4599 -0.2304 -0.1890 0.0000 136.5995 T0370.try39-opt2.repack-nonPC.pdb.gz 154 0.5465 1.6651 1.6305 2.9837 3.0515 3.3415 3.5250 -0.1663 -5.0761 0.3611 0.1243 -0.1316 0.1245 0.0260 0.0389 0.2793 0.2222 0.1674 -0.5461 -0.6362 -0.4860 -0.2193 -0.1851 0.0000 137.7387 T0370.try39-opt1.pdb.gz 154 0.5382 1.6680 1.6358 2.9348 3.0163 3.3218 3.5159 -0.1978 -4.8059 0.3673 0.1191 -0.0923 0.2122 0.0260 0.0307 0.3305 0.3021 0.3051 -0.5335 -0.6165 -0.4747 -0.2196 -0.1850 0.0000 139.5456 T0370.try37-opt1.pdb.gz 154 0.5424 1.6598 1.6289 2.9729 3.0405 3.3450 3.4875 -0.2366 -4.8950 0.3498 0.1183 -0.1351 0.1516 0.0260 0.0328 0.4669 0.4241 0.3973 -0.3343 -0.6033 -0.4612 -0.2277 -0.1885 0.0000 140.9981 T0370.try37-opt2.repack-nonPC.pdb.gz 154 0.5489 1.6494 1.6210 3.0488 3.0520 3.3644 3.4929 -0.1816 -4.9978 0.3497 0.1281 -0.1466 0.1441 0.0260 0.0425 0.3726 0.3003 0.2765 -0.3223 -0.5959 -0.4599 -0.2304 -0.1890 0.0000 141.9745 T0370.try39-opt2.gromacs0.pdb.gz 154 0.5358 1.6850 1.6319 2.9707 3.0332 3.3190 3.5122 -0.2008 -3.9482 0.2388 0.2360 -0.0927 0.0213 0.0195 0.0300 0.7570 0.8147 0.8667 -0.5522 -0.6240 -0.4764 -0.2180 -0.1827 0.0000 144.4045 chimera30-33.pdb 154 0.5310 1.6431 1.6223 3.0386 3.0389 3.3099 3.4889 0.0214 -4.6809 0.3320 0.1258 -0.1103 0.3102 0.2013 0.0465 0.3429 0.3230 0.3229 -0.4666 -0.6553 -0.5072 -0.2255 -0.1889 0.0000 144.4667 T0370.try40-opt1.pdb 154 0.5220 1.6387 1.5981 2.9624 3.0561 3.3766 3.5787 0.1330 -4.9838 0.3377 0.1197 -0.1292 0.1633 0.0130 0.0371 0.3470 0.3503 0.3750 -0.0206 -0.6326 -0.4840 -0.2254 -0.1881 0.0000 144.7000 T0370.try39-opt2.gromacs0.repack-nonPC.pdb.gz 154 0.5506 1.6850 1.6319 2.9919 3.0737 3.3576 3.5251 -0.1505 -4.0613 0.2388 0.2360 -0.0927 0.0321 0.0195 0.0300 0.7570 0.8147 0.8667 -0.5479 -0.6148 -0.4764 -0.2180 -0.1827 0.0000 146.2403 T0370.try37-opt2.gromacs0.pdb.gz 154 0.5363 1.6944 1.6399 2.9653 3.0463 3.3315 3.4760 -0.2854 -3.9819 0.2469 0.2315 -0.1308 0.0278 0.0260 0.0266 0.7702 0.8778 0.9489 -0.3158 -0.6069 -0.4458 -0.2273 -0.1847 0.0000 146.5345 T0370.try37-opt1-scwrl.pdb.gz 154 0.5501 1.6598 1.6289 3.1310 3.0973 3.3980 3.5143 -0.1409 -5.5684 0.3498 0.1183 -0.1351 0.4013 0.0260 0.0328 0.4669 0.4241 0.3973 -0.3179 -0.5809 -0.4612 -0.2277 -0.1885 0.0000 147.6440 T0370.try39-opt1-scwrl.pdb.gz 154 0.5477 1.6680 1.6358 3.0928 3.0923 3.3847 3.5381 -0.1716 -5.5804 0.3673 0.1191 -0.0923 0.6276 0.0260 0.0307 0.3305 0.3021 0.3051 -0.5322 -0.5995 -0.4747 -0.2196 -0.1850 0.0000 149.2206 T0370.try37-opt2.gromacs0.repack-nonPC.pdb.gz 154 0.5508 1.6944 1.6399 3.0519 3.0815 3.3700 3.4959 -0.1456 -4.1210 0.2469 0.2315 -0.1308 0.0407 0.0260 0.0266 0.7702 0.8778 0.9489 -0.3262 -0.5946 -0.4458 -0.2273 -0.1847 0.0000 149.2304 T0370.try40-opt1-scwrl.pdb 154 0.5358 1.6387 1.5981 3.0486 3.1053 3.4489 3.6255 0.2864 -5.6080 0.3377 0.1197 -0.1292 0.3475 0.0130 0.0371 0.3470 0.3503 0.3750 -0.0109 -0.6253 -0.4840 -0.2254 -0.1881 0.0000 149.5074 T0370.try33-opt2.pdb.gz 154 0.5545 1.6897 1.6792 2.9929 3.1327 3.5060 3.6309 0.9139 -3.8199 0.3514 0.1049 -0.1364 0.0542 0.0195 0.0298 0.6833 0.5484 0.5546 -0.3230 -0.6452 -0.4933 -0.2375 -0.1922 0.0000 152.0059 T0370.try33-opt2.repack-nonPC.pdb.gz 154 0.5762 1.6897 1.6792 3.0627 3.1899 3.5460 3.6416 1.0369 -4.2402 0.3514 0.1049 -0.1364 0.0498 0.0195 0.0298 0.6833 0.5484 0.5546 -0.3133 -0.6135 -0.4933 -0.2375 -0.1922 0.0000 153.4877 T0370.try28-opt2.pdb.gz 154 0.5697 1.6752 1.6391 3.0118 3.0563 3.3964 3.5575 0.8240 -4.9597 0.5347 0.2024 -0.0677 0.2177 0.0584 0.0851 0.3858 0.3331 0.3317 0.6316 -0.6138 -0.4896 -0.2563 -0.2210 0.0000 155.6191 T0370.try31-opt2.pdb.gz 154 0.5107 1.6310 1.6231 2.9372 3.0031 3.3302 3.5113 0.0515 -4.5387 0.3557 0.1212 -0.1531 0.0565 0.0130 0.0274 0.5710 0.3907 0.2879 2.1952 -0.6272 -0.4812 -0.2809 -0.2445 0.0000 155.7325 T0370.try34-opt2.pdb.gz 154 0.5102 1.6334 1.5968 2.9505 3.0550 3.3724 3.5635 0.2156 -5.0950 0.4317 0.1167 -0.1045 0.1300 0.0065 0.0366 0.4969 0.3128 0.2033 1.8418 -0.5837 -0.4724 -0.2668 -0.2338 0.0000 155.8505 T0370.try38-opt2.pdb.gz 154 0.5290 1.6164 1.6204 2.9318 3.0239 3.3594 3.5553 0.0169 -4.8291 0.3854 0.1362 -0.1211 0.1588 0.0455 0.0474 0.3653 0.2471 0.1786 1.5852 -0.6189 -0.4641 -0.2480 -0.2224 0.0000 156.0096 T0370.try30-opt2.pdb.gz 154 0.5102 1.6290 1.6040 2.9387 3.0771 3.3693 3.5500 0.1874 -4.6565 0.3694 0.1202 -0.1414 0.0547 0.0065 0.0308 0.5216 0.3308 0.2135 2.0959 -0.6167 -0.4931 -0.2799 -0.2446 0.0000 156.4292 chimera30-33-30.pdb~ 154 0.5101 1.6291 1.6040 2.9392 3.0771 3.3698 3.5500 0.1874 -4.6565 0.3686 0.1201 -0.1414 0.0547 0.0065 0.0308 0.5208 0.3309 0.2141 2.0958 -0.6167 -0.4931 -0.2799 -0.2446 0.0000 156.4399 chimera30-33.pdb~ 154 0.5101 1.6291 1.6040 2.9392 3.0771 3.3698 3.5500 0.1874 -4.6565 0.3686 0.1201 -0.1414 0.0547 0.0065 0.0308 0.5208 0.3309 0.2141 2.0958 -0.6167 -0.4931 -0.2799 -0.2446 0.0000 156.4399 chimera30-33-30.pdb 154 0.5607 1.7117 1.6798 3.0842 3.1130 3.4190 3.5647 0.0031 -4.2514 0.3532 0.1371 -0.0627 0.3852 0.2013 0.0788 0.3845 0.3567 0.3526 -0.3164 -0.6473 -0.4965 -0.2421 -0.1887 0.0000 156.4680 T0370.try27-opt2.pdb.gz 154 0.5133 1.6431 1.6025 2.9432 3.0323 3.3690 3.5496 0.1981 -4.9358 0.4244 0.1294 -0.1164 0.1067 0.0065 0.0436 0.5037 0.3087 0.2011 2.1029 -0.6190 -0.4910 -0.2795 -0.2440 0.0000 156.5638 T0370.try31-opt1.pdb.gz 154 0.5173 1.6394 1.6279 2.9494 3.0303 3.3379 3.5131 0.0642 -4.5778 0.3681 0.1219 -0.1347 0.0588 0.0065 0.0285 0.5708 0.3906 0.2878 2.1869 -0.6148 -0.4773 -0.2794 -0.2445 0.0000 156.9164 T0370.try30-opt1.pdb.gz 154 0.5110 1.6373 1.6014 2.9608 3.0548 3.3805 3.5542 0.2159 -4.8582 0.4314 0.1229 -0.1134 0.0748 0.0065 0.0384 0.5017 0.3060 0.1958 2.1010 -0.6223 -0.4896 -0.2788 -0.2432 0.0000 156.9747 T0370.try34-opt1.pdb.gz 154 0.5153 1.6366 1.6046 2.9676 3.0620 3.3919 3.5666 0.2358 -4.9819 0.4480 0.1157 -0.1045 0.1221 0.0065 0.0370 0.4964 0.3123 0.2024 1.8387 -0.5939 -0.4701 -0.2650 -0.2319 0.0000 157.4436 T0370.try33-opt1-scwrl.pdb.gz 154 0.5728 1.6753 1.6691 3.0980 3.2256 3.5665 3.6824 1.1384 -5.1890 0.4184 0.1054 -0.0742 0.2454 0.0260 0.0412 0.7776 0.7275 0.7634 -0.2848 -0.5919 -0.4877 -0.2301 -0.1844 0.0000 158.2423 T0370.try27-opt1.pdb.gz 154 0.5239 1.6627 1.6075 2.9571 3.0554 3.3922 3.5630 0.2322 -4.9587 0.4273 0.1261 -0.1053 0.1144 0.0130 0.0451 0.5027 0.3106 0.2018 2.0890 -0.6189 -0.4852 -0.2773 -0.2358 0.0000 159.0165 T0370.try33-opt2.gromacs0.pdb.gz 154 0.5564 1.7224 1.6676 3.0294 3.1691 3.5137 3.6382 0.9086 -3.4853 0.2713 0.2456 -0.0888 0.0105 0.0260 0.0462 1.0340 1.0491 1.0334 -0.3021 -0.6457 -0.4850 -0.2407 -0.1934 0.0000 159.1082 T0370.try5-opt2.pdb.gz 154 0.6091 1.7094 1.6960 3.1182 3.1449 3.4606 3.5976 -0.0808 -4.2789 0.4358 0.1366 -0.1071 0.1734 0.0065 0.0077 0.6873 0.7826 0.7758 0.4336 -0.6094 -0.4830 -0.2272 -0.2151 0.0000 159.1288 T0370.try38-opt2.repack-nonPC.pdb.gz 154 0.5585 1.6164 1.6204 3.0168 3.0773 3.4470 3.5996 0.1123 -4.9807 0.3854 0.1362 -0.1211 0.1363 0.0455 0.0474 0.3653 0.2471 0.1786 1.5861 -0.6042 -0.4641 -0.2480 -0.2224 0.0000 159.3964 T0370.try31-opt2.repack-nonPC.pdb.gz 154 0.5381 1.6310 1.6231 3.0414 3.0687 3.3836 3.5288 0.1167 -4.6250 0.3557 0.1212 -0.1531 0.0680 0.0130 0.0274 0.5710 0.3907 0.2879 2.1785 -0.6231 -0.4812 -0.2809 -0.2445 0.0000 159.6871 T0370.try30-opt2.repack-nonPC.pdb.gz 154 0.5235 1.6290 1.6040 3.0359 3.1181 3.4241 3.5726 0.2557 -4.7052 0.3694 0.1202 -0.1414 0.0710 0.0065 0.0308 0.5216 0.3308 0.2135 2.0889 -0.6336 -0.4931 -0.2799 -0.2446 0.0000 159.9079 T0370.try34-opt2.repack-nonPC.pdb.gz 154 0.5229 1.6334 1.5968 3.0215 3.1138 3.4388 3.5832 0.2889 -4.8824 0.4317 0.1167 -0.1045 0.1096 0.0065 0.0366 0.4969 0.3128 0.2033 1.8496 -0.5848 -0.4724 -0.2668 -0.2338 0.0000 160.2482 T0370.try33-opt2.gromacs0.repack-nonPC.pdb.gz 154 0.5721 1.7224 1.6676 3.0820 3.2120 3.5440 3.6528 1.0180 -3.8333 0.2713 0.2456 -0.0888 0.0167 0.0260 0.0462 1.0340 1.0491 1.0334 -0.3064 -0.6089 -0.4850 -0.2407 -0.1934 0.0000 160.2639 T0370.try28-opt2.repack-nonPC.pdb.gz 154 0.5697 1.6752 1.6391 3.0685 3.1190 3.4098 3.5604 0.8569 -4.3020 0.5347 0.2024 -0.0677 0.1710 0.0584 0.0851 0.3858 0.3331 0.3317 0.6541 -0.6385 -0.4896 -0.2563 -0.2210 0.0000 160.4621 T0370.try25-opt2.pdb.gz 154 0.5230 1.6495 1.6032 2.9673 3.0722 3.4053 3.5682 0.2486 -4.9126 0.4327 0.1117 -0.1071 0.1260 0.0130 0.0350 0.5083 0.3136 0.2059 2.0994 -0.6039 -0.4726 -0.2664 -0.2307 0.0000 160.8766 T0370.try33-opt1.pdb.gz 154 0.5727 1.6753 1.6691 3.0960 3.2329 3.5772 3.6814 1.1422 -4.0239 0.4184 0.1054 -0.0742 0.0900 0.0260 0.0412 0.7776 0.7275 0.7634 -0.2981 -0.6086 -0.4877 -0.2301 -0.1844 0.0000 161.0183 T0370.try27-opt2.repack-nonPC.pdb.gz 154 0.5154 1.6431 1.6025 3.0436 3.1047 3.4399 3.5693 0.3000 -4.8734 0.4244 0.1294 -0.1164 0.0959 0.0065 0.0436 0.5037 0.3087 0.2011 2.1008 -0.5968 -0.4910 -0.2795 -0.2440 0.0000 161.1019 T0370.try38-opt1.pdb.gz 154 0.5276 1.6172 1.6251 2.9609 3.0557 3.3935 3.5693 0.0723 -4.2876 0.3897 0.1321 -0.1155 0.1601 0.0584 0.0426 0.4925 0.3561 0.2905 1.5314 -0.6091 -0.4601 -0.2438 -0.2174 0.0000 161.2686 T0370.try5-opt2.repack-nonPC.pdb.gz 154 0.5885 1.7094 1.6960 3.1608 3.2226 3.4981 3.6019 -0.0529 -4.1423 0.4358 0.1366 -0.1071 0.1634 0.0065 0.0077 0.6873 0.7826 0.7758 0.4467 -0.6463 -0.4830 -0.2272 -0.2151 0.0000 162.0827 T0370.try16-opt2.pdb.gz 154 0.5615 1.6725 1.6383 3.0749 3.1575 3.4798 3.6903 1.3677 -4.7502 0.2055 0.1742 -0.1045 0.0603 0.0390 0.0696 0.6711 0.6740 0.6916 0.1933 -0.5821 -0.4466 -0.1992 -0.1633 0.0000 163.2367 T0370.try5-opt1.pdb.gz 154 0.6106 1.6789 1.6695 3.1634 3.1872 3.5062 3.6325 -0.0176 -4.2442 0.4333 0.1507 -0.0962 0.2491 0.0195 0.0194 0.6529 0.7405 0.7379 0.4305 -0.6372 -0.4767 -0.2227 -0.2114 0.0000 164.1244 T0370.try25-opt2.repack-nonPC.pdb.gz 154 0.5190 1.6495 1.6032 3.0455 3.1111 3.4606 3.5908 0.3303 -4.8107 0.4327 0.1117 -0.1071 0.1214 0.0130 0.0350 0.5083 0.3136 0.2059 2.1223 -0.6033 -0.4726 -0.2664 -0.2307 0.0000 164.5248 T0370.try16-opt2.repack-nonPC.pdb.gz 154 0.5725 1.6725 1.6383 3.1296 3.2245 3.4922 3.6910 1.2817 -4.8974 0.2055 0.1742 -0.1045 0.0608 0.0390 0.0696 0.6711 0.6740 0.6916 0.2046 -0.5488 -0.4466 -0.1992 -0.1633 0.0000 165.1309 T0370.try5-opt2.gromacs0.pdb.gz 154 0.6070 1.7162 1.7031 3.1442 3.1509 3.4697 3.6051 -0.0795 -3.4956 0.2974 0.2600 -0.0949 0.0455 0.0130 0.0329 0.8244 0.9017 0.9191 0.4513 -0.5955 -0.4575 -0.2195 -0.2093 0.0000 165.3597 T0370.try23-opt2.pdb.gz 154 0.5727 1.7060 1.6792 2.9643 3.0399 3.4135 3.5702 0.0134 -4.2683 0.3768 0.1581 -0.2267 0.2319 0.0065 0.0354 0.6567 0.5921 0.4883 2.2103 -0.6055 -0.4658 -0.2719 -0.2588 0.0000 165.6810 T0370.try35-opt2.pdb.gz 154 0.5842 1.6943 1.6556 3.1486 3.2048 3.6043 3.7706 0.9423 -3.5456 0.4074 0.1367 -0.0413 0.0563 0.0260 0.0221 0.7062 0.7796 0.8140 -0.1896 -0.6364 -0.4572 -0.2141 -0.1783 0.0000 165.8045 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