# cost function cost = # ( 1 * constraints + 0 * backbone_only ) # evaluation function real_cost = # ) # cost function cost = # ) # evaluation function real_cost = # ( 50 * real_hbond + 50 * real_hbond_u + 50 * decoy_hbond + 50 * decoy_hbond_u + 10 * real_NO_hbond + 10 * real_NO_hbond_u + 10 * decoy_NO_hbond + 10 * decoy_NO_hbond_u + 10 * knot + 200 * clens + 0 * rmsd + 35 * log_rmsd + 0 * rmsd_ca + 30 * log_rmsd_ca + 1 * GDT + 1 * smooth_GDT + 0.2 * missing_atoms ) name length constraints backbone_only cost length real_hbond real_hbond_u decoy_hbond decoy_hbond_u real_NO_hbond real_NO_hbond_u decoy_NO_hbond decoy_NO_hbond_u knot clens rmsd log_rmsd rmsd_ca log_rmsd_ca GDT smooth_GDT missing_atoms real_cost 10S 5N 10N 10N 10N 5N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 2h4oA 62 1.41265 0 1.41265 62 -1 -1 -1 -1 -1 -1 -1 -1 0 0 0 -7 2.11582e-09 -7 -100 -100 117 -871.6 T0309TS415_2 62 1.95901 0 1.95901 62 -0.187848 -0.151515 -0.786099 -0.178571 -0.39437 -0.210526 -0.964934 -0.266667 0 0.881202 13.5936 2.6096 13.285 2.58663 -26.6129 -26.9609 0 208.035 T0309TS420_1-scwrl 55 1.07576 0 1.07576 55 -0.198043 -0.181818 -0.287876 -0.26087 -0.39437 -0.210526 -0.48825 -0.266667 0 0.807708 9.98323 2.30091 9.77037 2.27935 -30.6452 -30.508 106 210.472 T0309TS443_5 62 1.36858 0 1.36858 62 -0.193435 -0.181818 -0.344999 -0.146341 -0.406478 -0.263158 -0.364874 -0.147059 0 0.876501 12.1776 2.49959 11.7683 2.46541 -35.4839 -34.2338 0 211.885 T0309TS443_5-scwrl 62 1.36858 0 1.36858 62 -0.193435 -0.181818 -0.344999 -0.146341 -0.406478 -0.263158 -0.364874 -0.147059 0 0.876501 12.1776 2.49959 11.7683 2.46541 -35.4839 -34.2338 0 211.885 T0309TS420_4 55 1.35244 0 1.35244 55 -0.236657 -0.181818 -0.124362 -0.15 -0.500143 -0.263158 -0.313732 -0.25 0 0.777992 10.6251 2.36322 10.1121 2.31373 -30.6452 -29.7375 65 212.428 T0309TS092_5 62 1.3668 0 1.3668 62 -0.317703 -0.212121 -0.276802 -0.35 -0.675772 -0.315789 -0.108344 -0.461538 0 0.887721 14.0657 2.64374 13.4921 2.60211 -31.4516 -30.8123 0 212.429 T0309TS420_5 55 1.35244 0 1.35244 55 -0.236657 -0.181818 -0.124029 -0.15 -0.500143 -0.263158 -0.312416 -0.25 0 0.777972 10.6251 2.36322 10.1121 2.31374 -30.6452 -29.7306 65 212.461 T0309TS092_5-scwrl 62 1.36798 0 1.36798 62 -0.319379 -0.242424 -0.230125 -0.363636 -0.675772 -0.315789 -0.108344 -0.461538 0 0.887721 14.1315 2.64841 13.4921 2.60211 -31.4516 -30.8123 0 212.645 T0309TS413_3-scwrl 62 2.16919 0 2.16919 62 -0.195981 -0.181818 -0.646029 -0.428571 -0.392483 -0.157895 -0.608395 -0.375 0 0.915355 14.0957 2.64587 13.5358 2.60534 -26.6129 -26.2966 0 212.969 T0309TS420_4-scwrl 55 1.23249 0 1.23249 55 -0.238121 -0.181818 -0.222429 -0.214286 -0.500143 -0.263158 -0.316408 -0.25 0 0.785414 10.8556 2.38468 10.1775 2.32018 -28.629 -28.7734 83 213.22 T0309TS420_5-scwrl 55 1.23253 0 1.23253 55 -0.238121 -0.181818 -0.220027 -0.214286 -0.500143 -0.263158 -0.315083 -0.25 0 0.785381 10.8548 2.38461 10.1775 2.32018 -28.629 -28.813 83 213.304 T0309TS443_1 62 1.25146 0 1.25146 62 -0.275349 -0.181818 -0.0740803 -0.157895 -0.568113 -0.210526 -0.0169785 -0.148148 0 0.842644 12.2606 2.50639 11.9418 2.48005 -37.0968 -35.4876 0 214.175 T0309TS443_1-scwrl 62 1.25146 0 1.25146 62 -0.275349 -0.181818 -0.0740803 -0.157895 -0.568113 -0.210526 -0.0169785 -0.148148 0 0.842644 12.2606 2.50639 11.9418 2.48005 -37.0968 -35.4876 0 214.175 T0309TS034_2 62 1.30196 0 1.30196 62 -0.189311 -0.151515 -0.678106 -0.217391 -0.39437 -0.210526 -0.718489 -0.210526 0 0.920892 12.9454 2.56074 12.7927 2.54888 -29.4355 -29.1809 0 214.499 T0309TS034_2-scwrl 62 1.30196 0 1.30196 62 -0.189311 -0.151515 -0.678106 -0.217391 -0.39437 -0.210526 -0.718489 -0.210526 0 0.920892 12.9454 2.56074 12.7927 2.54888 -29.4355 -29.1809 0 214.499 T0309TS033_4-scwrl 62 1.54332 0 1.54332 62 -0.277443 -0.212121 -0.210211 -0.189189 -0.568115 -0.263158 -0.249382 -0.185185 0 0.867477 13.1092 2.57332 13.1099 2.57336 -35.4839 -33.6157 0 214.556 T0309TS420_1 55 1.23109 0 1.23109 55 -0.187848 -0.151515 -0.147284 -0.16129 -0.39437 -0.210526 -0.478392 -0.25 0 0.798041 10.219 2.32425 9.71138 2.2733 -32.6613 -31.8005 78 214.564 T0309TS197_5-scwrl 62 1.26299 0 1.26299 62 -0.297588 -0.181818 -0.268933 -0.2 -0.616304 -0.210526 -0.25841 -0.166667 0 0.863286 13.1606 2.57723 12.831 2.55186 -32.2581 -31.6839 0 215.538 T0309TS415_5 62 1.53206 0 1.53206 62 -0.195175 -0.181818 -0.233983 -0.157895 -0.39437 -0.210526 -0.255606 -0.190476 0 0.870559 11.9288 2.47896 11.105 2.4074 -33.871 -33.0128 0 217.26 T0309TS197_5 62 1.26654 0 1.26654 62 -0.297588 -0.181818 -0.244281 -0.181818 -0.616304 -0.210526 -0.25841 -0.166667 0 0.863286 13.075 2.5707 12.831 2.55186 -32.2581 -31.6839 0 217.451 T0309TS677_2-scwrl 62 1.57073 0 1.57073 62 -0.187848 -0.151515 -0.830431 -0.416667 -0.39437 -0.210526 -0.997646 -0.571429 0 0.877026 17.3914 2.85598 17.3 2.85071 -27.8226 -26.597 67 218.803 T0309TS415_2-scwrl 62 1.96022 0 1.96022 62 -0.187848 -0.151515 -0.546147 -0.185185 -0.39437 -0.210526 -0.964934 -0.266667 0 0.881202 13.6421 2.61316 13.285 2.58663 -26.6129 -26.9609 0 219.826 T0309TS413_3 62 2.17009 0 2.17009 62 -0.347236 -0.181818 -0.507223 -0.272727 -0.392483 -0.157895 -0.608395 -0.375 0 0.915355 14.0298 2.64118 13.5358 2.60534 -26.6129 -26.2966 0 219.975 T0309TS677_2 62 1.57263 0 1.57263 62 -0.187848 -0.151515 -0.829038 -0.357143 -0.39437 -0.210526 -0.997646 -0.571429 0 0.877026 17.3467 2.8534 17.3 2.85071 -27.8226 -26.597 60 220.359 T0309TS033_4 62 1.54335 0 1.54335 62 -0.26216 -0.151515 -0.196434 -0.138889 -0.568115 -0.263158 -0.249382 -0.185185 0 0.867477 12.9726 2.56284 13.1099 2.57336 -35.4839 -33.6157 0 221.188 T0309TS415_5-scwrl 62 1.5315 0 1.5315 62 -0.187848 -0.151515 -0.206449 -0.131579 -0.39437 -0.210526 -0.255606 -0.190476 0 0.870559 11.8056 2.46857 11.105 2.4074 -33.871 -33.0128 0 221.471 T0309TS736_3u 62 1.23717 0 1.23717 62 -0.235323 -0.181818 -0.185001 -0.1875 -0.39437 -0.210526 -0.197435 -0.210526 0 0.847722 14.5256 2.67591 14.4607 2.67144 -35.8871 -34.7416 0 223.105 T0309TS349_4-scwrl 62 1.41423 0 1.41423 62 -0.284132 -0.212121 -0.347334 -0.205882 -0.500143 -0.263158 -0.379853 -0.217391 0 0.911092 12.9176 2.55859 12.7434 2.54502 -29.4355 -29.0651 0 223.54 T0309TS307_1u-scwrl 62 1.72722 0 1.72722 62 -0.187848 -0.151515 -0.309362 -0.147059 -0.39437 -0.210526 -0.31885 -0.166667 0 0.849778 13.0535 2.56906 12.3397 2.51282 -33.871 -32.6169 28 223.676 T0309TS307_5u-scwrl 62 1.72722 0 1.72722 62 -0.187848 -0.151515 -0.309362 -0.147059 -0.39437 -0.210526 -0.31885 -0.166667 0 0.849778 13.0535 2.56906 12.3397 2.51282 -33.871 -32.6169 28 223.676 T0309TS033_3-scwrl 62 1.48665 0 1.48665 62 -0.187849 -0.181818 -0.345678 -0.139535 -0.394373 -0.263158 -0.342349 -0.172414 0 0.888915 12.3588 2.51437 11.623 2.45299 -30.6452 -30.3418 0 223.922 T0309TS113_2-scwrl 62 1.76456 0 1.76456 62 -0.205028 -0.121212 -0.327548 -0.2 -0.440674 -0.157895 -0.177138 -0.2 0 0.858463 14.3815 2.66595 13.7461 2.62076 -34.2742 -32.4008 0 224.502 T0309TS337_4-scwrl 62 1.93406 0 1.93406 62 -0.214686 -0.181818 -0.455106 -0.1875 -0.349649 -0.210526 -0.456591 -0.2 0 0.870255 14.0676 2.64387 13.9362 2.63449 -35.8871 -34.4844 67 224.527 T0309TS113_2 62 1.7652 0 1.7652 62 -0.205028 -0.121212 -0.325564 -0.2 -0.440674 -0.157895 -0.177138 -0.2 0 0.858463 14.3808 2.6659 13.7461 2.62076 -34.2742 -32.4008 0 224.599 T0309TS349_4 62 1.41466 0 1.41466 62 -0.284132 -0.212121 -0.346426 -0.184211 -0.500143 -0.263158 -0.379853 -0.217391 0 0.911092 12.9302 2.55956 12.7434 2.54502 -29.4355 -29.0651 0 224.703 T0309TS302_5-scwrl 55 0.980672 0 0.980672 55 -0.238121 -0.181818 -0.335883 -0.230769 -0.500143 -0.263158 -0.43014 -0.263158 0 0.846086 11.2745 2.42255 10.6461 2.3652 -27.8226 -28.437 101 225.007 T0309TS268_3 62 1.31243 0 1.31243 62 -0.249996 -0.181818 -0.372917 -0.285714 -0.51317 -0.210526 -0.493922 -0.363636 0 0.880525 15.682 2.75251 15.3278 2.72967 -29.4355 -29.2183 0 225.344 T0309TS268_3-scwrl 62 1.31243 0 1.31243 62 -0.249996 -0.181818 -0.372917 -0.285714 -0.51317 -0.210526 -0.493922 -0.363636 0 0.880525 15.682 2.75251 15.3278 2.72967 -29.4355 -29.2183 0 225.344 T0309TS297_3-scwrl 62 1.53367 0 1.53367 62 -0.203132 -0.242424 -0.19022 -0.235294 -0.394373 -0.263158 -0.15878 -0.185185 0 0.89483 13.7456 2.62072 13.0469 2.56855 -34.6774 -33.9759 0 225.526 T0309TS671_2-scwrl 62 1.65242 0 1.65242 62 -0.249125 -0.151515 -0.444961 -0.227273 -0.511283 -0.157895 -0.477465 -0.2 0 0.886843 14.9174 2.70253 14.244 2.65633 -29.8387 -28.7393 0 225.959 T0309TS736_3u-scwrl 62 1.23444 0 1.23444 62 -0.187848 -0.151515 -0.209809 -0.178571 -0.39437 -0.210526 -0.197435 -0.210526 0 0.847722 14.5356 2.6766 14.4607 2.67144 -35.8871 -34.7416 0 226.224 T0309TS297_3 62 1.53273 0 1.53273 62 -0.203132 -0.242424 -0.16794 -0.216216 -0.394373 -0.263158 -0.15878 -0.185185 0 0.89483 13.7281 2.61944 13.0469 2.56855 -34.6774 -33.9759 0 227.549 T0309TS034_5 62 1.58824 0 1.58824 62 -0.167211 -0.151515 -0.643 -0.227273 -0.349649 -0.210526 -0.82148 -0.235294 0 0.917238 15.2252 2.72295 14.9049 2.70169 -28.629 -27.5007 0 228.052 T0309TS034_5-scwrl 62 1.58824 0 1.58824 62 -0.167211 -0.151515 -0.643 -0.227273 -0.349649 -0.210526 -0.82148 -0.235294 0 0.917238 15.2252 2.72295 14.9049 2.70169 -28.629 -27.5007 0 228.052 T0309TS038_1-scwrl 62 1.51482 0 1.51482 62 -0.187848 -0.151515 -0.218005 -0.172414 -0.39437 -0.210526 -0.0211833 -0.181818 0 0.88197 12.2499 2.50552 11.9943 2.48443 -32.6613 -32.2039 0 229.187 T0309TS113_3-scwrl 62 1.5177 0 1.5177 62 -0.204595 -0.242424 -0.306868 -0.266667 -0.394373 -0.263158 -0.28777 -0.263158 0 0.875915 14.205 2.65359 13.5751 2.60824 -28.629 -28.7813 18 229.383 T0309TS034_1 62 1.56472 0 1.56472 62 -0.187848 -0.151515 -0.381969 -0.185185 -0.39437 -0.210526 -0.222499 -0.173913 0 0.918041 14.4708 2.67213 14.7614 2.69202 -37.5 -35.3585 0 229.696 T0309TS034_1-scwrl 62 1.56472 0 1.56472 62 -0.187848 -0.151515 -0.381969 -0.185185 -0.39437 -0.210526 -0.222499 -0.173913 0 0.918041 14.4912 2.67354 14.7614 2.69202 -37.5 -35.3585 0 229.745 T0309TS302_5 55 1.07415 0 1.07415 55 -0.236657 -0.181818 -0.125476 -0.153846 -0.500143 -0.263158 -0.419074 -0.238095 0 0.837734 10.999 2.39781 10.5527 2.35639 -29.0323 -29.1713 75 229.863 T0309TS050_1 62 1.41602 0 1.41602 62 -0.46477 -0.212121 -0.20745 -0.152174 -0.675772 -0.315789 -0.337097 -0.171429 0 0.895544 15.57 2.74535 15.5478 2.74392 -30.6452 -29.8783 0 230.163 T0309TS435_4 62 1.41602 0 1.41602 62 -0.46477 -0.212121 -0.20745 -0.152174 -0.675772 -0.315789 -0.337097 -0.171429 0 0.895544 15.57 2.74535 15.5478 2.74392 -30.6452 -29.8783 0 230.163 T0309TS038_4-scwrl 62 1.54979 0 1.54979 62 -0.195175 -0.181818 -0.645948 -0.1875 -0.39437 -0.210526 -0.702666 -0.153846 0 0.890756 16.9523 2.8304 17.0033 2.8334 -29.0323 -27.2974 0 230.752 T0309TS337_4 62 1.93504 0 1.93504 62 -0.208822 -0.151515 -0.329768 -0.192308 -0.349649 -0.210526 -0.456591 -0.2 0 0.870255 14.065 2.64369 13.9362 2.63449 -35.8871 -34.4844 60 230.955 T0309TS050_1-scwrl 62 1.4159 0 1.4159 62 -0.32503 -0.242424 -0.281948 -0.166667 -0.675772 -0.315789 -0.337097 -0.171429 0 0.895544 15.5226 2.7423 15.5478 2.74392 -30.6452 -29.8783 0 231.079 T0309TS435_4-scwrl 62 1.4159 0 1.4159 62 -0.32503 -0.242424 -0.281948 -0.166667 -0.675772 -0.315789 -0.337097 -0.171429 0 0.895544 15.5226 2.7423 15.5478 2.74392 -30.6452 -29.8783 0 231.079 T0309TS193_1 62 1.85695 0 1.85695 62 -0.186977 -0.121212 -0.717254 -0.235294 -0.392483 -0.157895 -0.953345 -0.6 0 0.909663 16.7811 2.82025 16.7379 2.81768 -25 -24.8374 0 231.26 T0309TS193_1-scwrl 62 1.85695 0 1.85695 62 -0.186977 -0.121212 -0.717254 -0.235294 -0.392483 -0.157895 -0.953345 -0.6 0 0.909663 16.7811 2.82025 16.7379 2.81768 -25 -24.8374 0 231.26 T0309TS033_3 62 1.48661 0 1.48661 62 -0.181986 -0.151515 -0.2294 -0.128205 -0.394373 -0.263158 -0.342349 -0.172414 0 0.888915 12.2113 2.50236 11.623 2.45299 -30.6452 -30.3418 0 231.69 T0309TS268_1 62 1.36588 0 1.36588 62 -0.161276 -0.0909091 -0.288752 -0.166667 -0.336786 -0.105263 -0.834321 -0.285714 0 0.86091 12.7332 2.54421 12.3328 2.51226 -26.2097 -27.2739 0 232.112 T0309TS268_1-scwrl 62 1.36588 0 1.36588 62 -0.161276 -0.0909091 -0.288752 -0.166667 -0.336786 -0.105263 -0.834321 -0.285714 0 0.86091 12.7332 2.54421 12.3328 2.51226 -26.2097 -27.2739 0 232.112 T0309TS677_1 62 1.55676 0 1.55676 62 -0.236657 -0.181818 -0.584121 -0.352941 -0.500143 -0.263158 -0.875334 -0.714286 0 0.902916 17.5683 2.8661 17.4597 2.85989 -27.4194 -26.718 60 233.25 T0309TS337_2 62 1.88803 0 1.88803 62 -0.289719 -0.242424 -0.22747 -0.266667 -0.512251 -0.315789 -0.253604 -0.272727 0 0.892282 14.3233 2.66189 14.174 2.65141 -33.0645 -31.7001 60 233.542 T0309TS034_3 62 1.82836 0 1.82836 62 -0.187848 -0.151515 -0.594715 -0.185185 -0.39437 -0.210526 -0.537012 -0.181818 0 0.888909 16.0152 2.77354 15.5712 2.74542 -27.0161 -27.2554 0 233.746 T0309TS034_3-scwrl 62 1.82836 0 1.82836 62 -0.187848 -0.151515 -0.594715 -0.185185 -0.39437 -0.210526 -0.537012 -0.181818 0 0.888909 16.0152 2.77354 15.5712 2.74542 -27.0161 -27.2554 0 233.746 T0309TS710_5 62 1.30435 0 1.30435 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