# 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 2hf1A 61 -0.378003 0 -0.378003 61 -1 -1 -1 -1 -1 -1 -1 -1 0 0 0 -7 9.34675e-09 -7 -100 -100 80 -879 T0348TS026_4 61 -0.0967995 0 -0.0967995 61 -0.319487 -0.555556 -0.59733 -0.625 -0.377421 -0.62963 -0.574606 -0.586207 0 0.602687 5.86516 1.76903 5.28595 1.66505 -60.2459 -57.2237 0 -11.6119 T0348TS026_4-scwrl 61 -0.106315 0 -0.106315 61 -0.344328 -0.555556 -0.570115 -0.588235 -0.377421 -0.62963 -0.574606 -0.586207 0 0.602687 5.93733 1.78126 5.28595 1.66505 -60.2459 -57.2237 0 -9.22686 T0348TS026_5-scwrl 61 -0.338341 0 -0.338341 61 -0.51035 -0.527778 -0.503138 -0.575758 -0.616744 -0.592593 -0.446932 -0.592593 0 0.639533 7.40258 2.00183 7.14266 1.96609 -60.6557 -57.4679 0 10.4898 T0348TS568_1-scwrl 61 0.00631649 0 0.00631649 61 -0.210043 -0.5 -0.713497 -0.666667 -0.315537 -0.592593 -0.671277 -0.64 0 0.676668 6.26204 1.83451 5.81197 1.75992 -59.0164 -55.9503 0 10.6679 T0348TS027_3 61 -0.284263 0 -0.284263 61 -0.460058 -0.444444 -0.613892 -0.615385 -0.612097 -0.555556 -0.871388 -0.714286 0 0.668916 7.31381 1.98976 7.16069 1.96861 -60.6557 -56.8221 0 10.7831 T0348TS568_1 61 0.0181508 0 0.0181508 61 -0.209738 -0.472222 -0.716775 -0.653846 -0.315537 -0.592593 -0.671277 -0.64 0 0.676668 6.31569 1.84304 5.81197 1.75992 -59.0164 -55.9503 0 12.8477 T0348TS027_3-scwrl 61 -0.287691 0 -0.287691 61 -0.507358 -0.5 -0.379442 -0.62069 -0.612097 -0.555556 -0.871388 -0.714286 0 0.668916 7.37477 1.99806 7.16069 1.96861 -60.6557 -56.8221 0 17.3881 T0348TS018_4-scwrl 61 0.0233228 0 0.0233228 61 -0.233907 -0.472222 -0.722284 -0.586207 -0.303824 -0.518519 -0.807453 -0.608696 0 0.701169 6.30378 1.84115 5.82995 1.76301 -58.6066 -55.959 0 19.8828 T0348TS113_2-scwrl 61 -0.331951 0 -0.331951 61 -0.403988 -0.5 -0.748988 -0.666667 -0.616744 -0.592593 -0.748395 -0.666667 0 0.644187 9.24471 2.22405 8.70858 2.16431 -53.2787 -51.4248 0 24.6789 T0348TS026_5 61 -0.322326 0 -0.322326 61 -0.397117 -0.444444 -0.413619 -0.551724 -0.616744 -0.592593 -0.446932 -0.592593 0 0.639533 7.31114 1.9894 7.14266 1.96609 -60.6557 -57.4679 0 25.5607 T0348TS113_2 61 -0.341898 0 -0.341898 61 -0.403988 -0.5 -0.748285 -0.642857 -0.616744 -0.592593 -0.748395 -0.666667 0 0.644187 9.25767 2.22545 8.70858 2.16431 -53.2787 -51.4248 0 25.9536 T0348TS004_4 61 -0.273804 0 -0.273804 61 -0.424001 -0.472222 -0.486822 -0.653846 -0.609246 -0.555556 -0.512361 -0.714286 0 0.671463 7.63632 2.03292 7.37246 1.99775 -58.1967 -55.3769 0 26.0446 T0348TS018_4 61 0.0359173 0 0.0359173 61 -0.272098 -0.472222 -0.569987 -0.548387 -0.303824 -0.518519 -0.807453 -0.608696 0 0.701169 6.40505 1.85709 5.82995 1.76301 -58.6066 -55.959 0 28.0369 T0348TS004_4-scwrl 61 -0.272772 0 -0.272772 61 -0.424001 -0.472222 -0.432176 -0.62963 -0.609246 -0.555556 -0.512361 -0.714286 0 0.671463 7.65458 2.0353 7.37246 1.99775 -58.1967 -55.3769 0 30.0713 T0348TS004_1 61 0.0405072 0 0.0405072 61 -0.26941 -0.555556 -0.402437 -0.588235 -0.299649 -0.62963 -0.346856 -0.566667 0 0.694518 6.33398 1.84593 5.81709 1.7608 -59.0164 -56.0155 0 32.0933 T0348TS664_1-scwrl 61 0.010564 0 0.010564 61 -0.243184 -0.472222 -0.426192 -0.586207 -0.367481 -0.592593 -0.364629 -0.592593 0 0.679263 6.27043 1.83585 5.81102 1.75976 -58.6066 -56.1467 0 32.5834 T0348TS389_5 28 -0.618507 0 -0.618507 28 -0.328392 -0.166667 -0.995899 -0.857143 -0.510011 -0.222222 -0.995899 -0.857143 0 0.763779 2.39183 0.87206 1.33072 0.285723 -40.5738 -39.6341 331 34.5839 T0348TS664_1 61 0.0194918 0 0.0194918 61 -0.243489 -0.5 -0.38267 -0.5625 -0.367481 -0.592593 -0.364629 -0.592593 0 0.679263 6.32206 1.84404 5.81102 1.75976 -58.6066 -56.1467 0 34.8277 T0348TS004_1-scwrl 61 0.0303579 0 0.0303579 61 -0.199813 -0.527778 -0.40787 -0.575758 -0.299649 -0.62963 -0.346856 -0.566667 0 0.694518 6.3427 1.8473 5.81709 1.7608 -59.0164 -56.0155 0 37.3625 T0348TS640_1-scwrl 60 0.0749967 0 0.0749967 60 -0.234735 -0.388889 -0.875544 -0.777778 -0.315306 -0.444444 -0.684478 -0.75 0 0.763058 6.89213 1.93038 6.10645 1.80934 -50.8197 -49.1531 58 50.293 T0348TS047_1-scwrl 36 -0.409222 0 -0.409222 36 -0.375351 -0.194444 -0.721701 -0.7 -0.58294 -0.259259 -1 -1 0 0.755502 3.18232 1.15761 2.41375 0.881183 -47.1311 -44.4172 278 54.1072 T0348TS047_1 36 -0.397357 0 -0.397357 36 -0.375351 -0.194444 -0.721701 -0.7 -0.58294 -0.259259 -1 -1 0 0.754015 3.68139 1.30329 2.71016 0.997006 -47.541 -45.1431 262 58.0474 T0348TS211_1 61 -0.202123 0 -0.202123 61 -0.442335 -0.333333 -0.114518 -0.461538 -0.587065 -0.37037 -0.277376 -0.555556 0 0.65737 7.48747 2.01323 7.00328 1.94638 -59.0164 -56.7401 0 59.0821 T0348TS389_5-scwrl 28 -0.567456 0 -0.567456 28 -0.328697 -0.194444 -0.833476 -0.636364 -0.510011 -0.222222 -0.995909 -0.857143 0 0.770287 2.4233 0.885131 1.34711 0.29796 -38.9344 -38.0051 342 59.9343 T0348TS640_1 60 0.0802987 0 0.0802987 60 -0.240996 -0.388889 -0.652034 -0.7 -0.315306 -0.444444 -0.678037 -0.705882 0 0.767309 7.03752 1.95126 6.17754 1.82092 -52.0492 -49.5346 46 63.467 T0348TS211_1-scwrl 61 -0.22339 0 -0.22339 61 -0.378312 -0.305556 -0.122836 -0.44 -0.587065 -0.37037 -0.277376 -0.555556 0 0.65737 7.46213 2.00984 7.00328 1.94638 -59.0164 -56.7401 0 64.2144 T0348TS675_3-scwrl 54 -0.28734 0 -0.28734 54 -0.349356 -0.166667 -0.96173 -0.857143 -0.542568 -0.222222 -1 -1 0 0.662199 13.3312 2.59011 12.4606 2.52257 -55.3279 -52.199 101 67.0513 T0348TS675_2-scwrl 54 -0.38797 0 -0.38797 54 -0.231635 -0.25 -0.987146 -0.9 -0.359267 -0.296296 -0.98617 -0.888889 0 0.663296 13.6677 2.61504 12.8411 2.55265 -59.0164 -54.7204 121 67.4828 T0348TS018_1-scwrl 61 -0.426498 0 -0.426498 61 -0.41633 -0.444444 -0.650722 -0.390244 -0.587137 -0.481481 -0.621565 -0.361111 0 0.731253 10.742 2.37416 9.92761 2.29532 -55.3279 -53.3379 0 73.94 T0348TS010_4 61 -0.378888 0 -0.378888 61 -0.399551 -0.5 -0.463583 -0.514286 -0.620051 -0.62963 -0.50541 -0.53125 0 0.718402 12.6398 2.53685 12.0007 2.48496 -58.6066 -56.2036 0 75.4744 T0348TS004_3-scwrl 61 -0.243707 0 -0.243707 61 -0.410934 -0.5 -0.463924 -0.6 -0.637729 -0.62963 -0.403399 -0.653846 0 0.77683 8.31395 2.11794 7.72575 2.04456 -47.1311 -46.0381 0 75.6724 T0348TS047_5-scwrl 61 -0.243707 0 -0.243707 61 -0.410934 -0.5 -0.463924 -0.6 -0.637729 -0.62963 -0.403399 -0.653846 0 0.77683 8.31395 2.11794 7.72575 2.04456 -47.1311 -46.0381 0 75.6724 T0348TS010_4-scwrl 61 -0.409535 0 -0.409535 61 -0.399551 -0.5 -0.462197 -0.5 -0.620051 -0.62963 -0.50541 -0.53125 0 0.718402 12.624 2.5356 12.0007 2.48496 -58.6066 -56.2036 0 76.2141 T0348TS010_2-scwrl 61 -0.388424 0 -0.388424 61 -0.39307 -0.472222 -0.479757 -0.515152 -0.609985 -0.592593 -0.486671 -0.516129 0 0.723568 12.5308 2.52819 11.8614 2.47329 -58.1967 -56.8152 0 77.3232 T0348TS010_2 61 -0.388895 0 -0.388895 61 -0.39307 -0.472222 -0.480251 -0.515152 -0.609985 -0.592593 -0.486671 -0.516129 0 0.723568 12.565 2.53092 11.8614 2.47329 -58.1967 -56.8152 0 77.3941 T0348TS004_3 61 -0.233962 0 -0.233962 61 -0.4175 -0.527778 -0.402743 -0.59375 -0.637729 -0.62963 -0.403399 -0.653846 0 0.77683 8.34484 2.12164 7.72575 2.04456 -47.1311 -46.0381 0 77.4566 T0348TS047_5 61 -0.233962 0 -0.233962 61 -0.4175 -0.527778 -0.402743 -0.59375 -0.637729 -0.62963 -0.403399 -0.653846 0 0.77683 8.34484 2.12164 7.72575 2.04456 -47.1311 -46.0381 0 77.4566 T0348TS034_4 61 -0.0681065 0 -0.0681065 61 -0.371221 -0.472222 -0.826799 -0.607143 -0.517079 -0.518519 -0.838583 -0.608696 0 0.797071 10.0899 2.31154 9.46828 2.24795 -46.3115 -43.6584 0 79.0886 T0348TS034_4-scwrl 61 -0.0681065 0 -0.0681065 61 -0.371221 -0.472222 -0.826799 -0.607143 -0.517079 -0.518519 -0.838583 -0.608696 0 0.797071 10.0933 2.31187 9.46828 2.24795 -46.3115 -43.6584 0 79.1003 T0348TS018_1 61 -0.447349 0 -0.447349 61 -0.480353 -0.472222 -0.490394 -0.354167 -0.587137 -0.481481 -0.621565 -0.361111 0 0.731253 10.8209 2.38148 9.92761 2.29532 -55.3279 -53.3379 0 79.4265 T0348TS135_2-scwrl 61 0.0829412 0 0.0829412 61 -0.235638 -0.361111 -0.286566 -0.52 -0.316709 -0.407407 -0.319409 -0.55 0 0.773718 5.94432 1.78244 5.48321 1.70169 -52.459 -49.7532 0 79.8663 T0348TS033_3 61 0.00649072 0 0.00649072 61 -0.380543 -0.472222 -0.445492 -0.515152 -0.491573 -0.592593 -0.442367 -0.5 0 0.748452 8.25035 2.11026 7.49314 2.01399 -47.1311 -45.7499 0 80.1522 T0348TS010_3-scwrl 61 -0.493295 0 -0.493295 61 -0.345696 -0.444444 -0.540529 -0.5 -0.536411 -0.555556 -0.541599 -0.517241 0 0.731891 11.7125 2.46065 11.0023 2.3981 -56.1475 -53.6894 0 81.5655 T0348TS010_1-scwrl 61 -0.440017 0 -0.440017 61 -0.39305 -0.444444 -0.456705 -0.516129 -0.609954 -0.555556 -0.460514 -0.517241 0 0.730795 12.5006 2.52578 11.8399 2.47148 -58.1967 -56.3665 0 82.1932 T0348TS010_1 61 -0.447788 0 -0.447788 61 -0.399616 -0.472222 -0.432119 -0.5 -0.609954 -0.555556 -0.460514 -0.517241 0 0.730795 12.5032 2.52599 11.8399 2.47148 -58.1967 -56.3665 0 82.5192 T0348TS675_3 54 -0.281056 0 -0.281056 54 -0.349356 -0.166667 -0.759925 -0.6 -0.542568 -0.222222 -1 -1 0 0.653264 13.2204 2.58176 12.4115 2.51862 -56.5574 -53.19 86 82.5806 T0348TS027_2 61 -0.314138 0 -0.314138 61 -0.357966 -0.305556 -0.918226 -0.52381 -0.55594 -0.407407 -0.919078 -0.55 0 0.804604 10.0302 2.3056 9.32845 2.23307 -49.1803 -46.6472 0 83.1794 T0348TS010_3 61 -0.479587 0 -0.479587 61 -0.345696 -0.444444 -0.507379 -0.470588 -0.536411 -0.555556 -0.541599 -0.517241 0 0.731891 11.6819 2.45804 11.0023 2.3981 -56.1475 -53.6894 0 84.602 T0348TS033_3-scwrl 61 0.006377 0 0.006377 61 -0.316825 -0.472222 -0.436026 -0.472222 -0.491573 -0.592593 -0.442367 -0.5 0 0.748452 8.27451 2.11318 7.49314 2.01399 -47.1311 -45.7499 0 86.0602 T0348TS033_1-scwrl 61 0.0459172 0 0.0459172 61 -0.310356 -0.416667 -0.32681 -0.483871 -0.481526 -0.518519 -0.300736 -0.466667 0 0.76322 7.17863 1.97111 6.51595 1.87425 -47.9508 -47.0621 0 88.2879 T0348TS307_4u-scwrl 51 -0.298504 0 -0.298504 51 -0.376642 -0.222222 -0.997259 -0.888889 -0.584946 -0.296296 -1 -1 0 0.728969 12.928 2.5594 12.0443 2.48859 -49.5902 -46.4788 140 88.8986 T0348TS033_1 61 0.0459007 0 0.0459007 61 -0.310356 -0.416667 -0.301923 -0.483871 -0.481526 -0.518519 -0.300736 -0.466667 0 0.76322 7.12273 1.96329 6.51595 1.87425 -47.9508 -47.0621 0 89.2586 T0348TS033_2 61 0.142239 0 0.142239 61 -0.40267 -0.444444 -0.521621 -0.484848 -0.525463 -0.518519 -0.52084 -0.5 0 0.803578 8.19845 2.10395 7.5001 2.01492 -46.7213 -44.8088 0 89.9437 T0348TS034_2 61 0.145606 0 0.145606 61 -0.229245 -0.388889 -0.562902 -0.538462 -0.345359 -0.444444 -0.565297 -0.521739 0 0.797649 7.73877 2.04624 7.13655 1.96523 -48.7705 -46.4089 0 90.1825 T0348TS034_2-scwrl 61 0.145606 0 0.145606 61 -0.229245 -0.388889 -0.562902 -0.538462 -0.345359 -0.444444 -0.565297 -0.521739 0 0.797649 7.73877 2.04624 7.13655 1.96523 -48.7705 -46.4089 0 90.1825 T0348TS609_2-scwrl 61 -0.273378 0 -0.273378 61 -0.257902 -0.25 -0.846517 -0.75 -0.389865 -0.259259 -0.713745 -0.875 0 0.802424 11.511 2.4433 11.0637 2.40367 -50.8197 -48.7908 0 90.9004 T0348TS020_2-scwrl 61 -0.206059 0 -0.206059 61 -0.350767 -0.416667 -0.303024 -0.428571 -0.534089 -0.481481 -0.327209 -0.448276 0 0.73322 7.54057 2.0203 7.12027 1.96295 -54.0984 -51.4674 67 91.215 T0348TS389_1 61 -0.419119 0 -0.419119 61 -0.409764 -0.416667 -0.392577 -0.405405 -0.587137 -0.481481 -0.374262 -0.393939 0 0.733982 10.7828 2.37795 9.88704 2.29122 -54.5082 -53.0624 0 91.6019 T0348TS020_1 61 -0.0631928 0 -0.0631928 61 -0.399596 -0.583333 -0.392286 -0.552632 -0.561148 -0.666667 -0.355561 -0.5625 0 0.756885 8.47436 2.13705 7.91451 2.0687 -46.3115 -44.3658 60 91.7061 T0348TS020_1-scwrl 61 -0.0629357 0 -0.0629357 61 -0.399596 -0.583333 -0.370728 -0.583333 -0.561148 -0.666667 -0.355561 -0.5625 0 0.760913 8.14119 2.09694 7.91451 2.0687 -46.3115 -44.3658 67 92.0507 T0348TS020_2 61 -0.200758 0 -0.200758 61 -0.350767 -0.416667 -0.256243 -0.428571 -0.534089 -0.481481 -0.327209 -0.448276 0 0.732119 7.57579 2.02496 7.12027 1.96295 -54.0984 -51.4674 60 92.097 T0348TS490_1-scwrl 61 0.000602396 0 0.000602396 61 -0.249033 -0.416667 -0.390349 -0.5 -0.337511 -0.481481 -0.345468 -0.5 0 0.801034 6.93544 1.93665 6.24778 1.83223 -48.7705 -47.5742 0 92.1645 T0348TS033_2-scwrl 61 0.142249 0 0.142249 61 -0.338647 -0.416667 -0.542056 -0.517241 -0.525463 -0.518519 -0.52084 -0.5 0 0.803578 8.32949 2.1198 7.5001 2.01492 -46.7213 -44.8088 0 92.4473 T0348TS337_1-scwrl 61 -0.471093 0 -0.471093 61 -0.378336 -0.333333 -0.0774523 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T0348TS564_2-scwrl 61 -0.155943 0 -0.155943 61 -0.390265 -0.388889 -0.386795 -0.482759 -0.546656 -0.407407 -0.238484 -0.44 0 0.805722 12.3031 2.50985 11.8679 2.47384 -47.541 -46.1473 67 144.155 T0348TS337_2-scwrl 61 -0.106176 0 -0.106176 61 -0.203743 -0.194444 -0.706657 -0.636364 -0.305753 -0.185185 -1 -1 0 0.828972 12.709 2.54231 12.5582 2.53038 -44.6721 -43.1856 67 144.259 T0348TS024_3 61 -0.311369 0 -0.311369 61 -0.101916 -0.166667 -0.174966 -0.26087 -0.109505 -0.185185 -0.142882 -0.3125 0 0.744174 8.48981 2.13887 7.74421 2.04695 -49.5902 -48.1412 0 144.651 T0348TS033_4-scwrl 61 -0.0963537 0 -0.0963537 61 -0.31883 -0.388889 -0.302062 -0.388889 -0.494687 -0.481481 -0.291349 -0.382353 0 0.803813 11.1638 2.41268 10.5583 2.35691 -43.4426 -41.1681 0 144.871 T0348TS640_5-scwrl 60 0.310706 0 0.310706 60 -0.275035 -0.361111 -0.646378 -0.565217 -0.426671 -0.444444 -0.686648 -0.6 0 0.810801 11.8033 2.46838 11.1715 2.41337 -37.7049 -35.9327 58 144.952 T0348TS640_2-scwrl 60 0.347468 0 0.347468 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