# 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 2h5nA 131 1.38084 0 1.38084 131 -0.999975 -0.991525 -1 -1 -0.999963 -0.987179 -1 -1 0 0 0 -7 2.98307e-09 -7 -100 -100 16 -891.246 T0307TS020_4-scwrl 131 1.58208 0 1.58208 131 -0.704319 -0.644068 -0.715986 -0.644068 -0.86274 -0.846154 -0.769114 -0.725275 0 0.8254 13.7796 2.62319 13.3281 2.58987 -37.0229 -35.752 0 94.358 T0307TS020_4 131 1.58271 0 1.58271 131 -0.686882 -0.627119 -0.62861 -0.606557 -0.86274 -0.846154 -0.769114 -0.725275 0 0.8254 13.8134 2.62564 13.3281 2.58987 -37.0229 -35.752 0 102.407 T0307TS038_4-scwrl 131 1.31478 0 1.31478 131 -0.625312 -0.550847 -0.706459 -0.663265 -0.779733 -0.74359 -0.821829 -0.763158 0 0.849758 12.2485 2.5054 11.7393 2.46294 -30.3435 -29.9596 0 112.848 T0307TS337_4-scwrl 131 1.6481 0 1.6481 131 -0.611644 -0.533898 -0.830385 -0.670213 -0.765259 -0.717949 -0.911828 -0.756757 0 0.850372 13.7222 2.61901 13.2629 2.58497 -29.5802 -29.68 0 116.204 T0307TS038_4 131 1.31361 0 1.31361 131 -0.593314 -0.533898 -0.729122 -0.61165 -0.779733 -0.74359 -0.821829 -0.763158 0 0.849758 12.0962 2.49289 11.7393 2.46294 -30.3435 -29.9596 0 116.305 T0307TS337_4 131 1.64673 0 1.64673 131 -0.607299 -0.525424 -0.782315 -0.696629 -0.765259 -0.717949 -0.911828 -0.756757 0 0.850372 13.7021 2.61755 13.2629 2.58497 -29.5802 -29.68 0 117.876 T0307TS074_4-scwrl 126 1.49912 0 1.49912 126 -0.670829 -0.644068 -0.75264 -0.663717 -0.852236 -0.846154 -0.766708 -0.738636 0 0.884991 11.67 2.45702 11.0334 2.40093 -28.626 -28.0006 57 121.195 T0307TS389_1 131 1.61726 0 1.61726 131 -0.676318 -0.635593 -0.691063 -0.630252 -0.815124 -0.794872 -0.69422 -0.681319 0 0.856953 14.0771 2.64455 14.0925 2.64564 -29.9618 -28.3575 0 123.483 T0307TS074_4 126 1.51009 0 1.51009 126 -0.671154 -0.618644 -0.716693 -0.605042 -0.852236 -0.846154 -0.766708 -0.738636 0 0.885509 11.7536 2.46416 11.1202 2.40876 -28.8168 -28.0455 43 124.734 T0307TS439_4-scwrl 131 1.76044 0 1.76044 131 -0.626034 -0.567797 -0.80158 -0.676768 -0.797939 -0.74359 -0.912327 -0.763158 0 0.860953 15.3613 2.73185 15.4174 2.73549 -29.1985 -28.8292 0 126.063 T0307TS389_1-scwrl 131 1.61829 0 1.61829 131 -0.671606 -0.618644 -0.664783 -0.608333 -0.815124 -0.794872 -0.69422 -0.681319 0 0.856953 14.0873 2.64527 14.0925 2.64564 -29.9618 -28.3575 0 127.001 T0307TS018_1-scwrl 131 1.63957 0 1.63957 131 -0.680578 -0.618644 -0.70521 -0.598361 -0.827425 -0.794872 -0.739438 -0.666667 0 0.863083 14.1801 2.65184 14.1759 2.65154 -29.1985 -27.8097 0 127.546 T0307TS010_4-scwrl 131 1.1075 0 1.1075 131 -0.66364 -0.601695 -0.652858 -0.619469 -0.812259 -0.769231 -0.69517 -0.686047 0 0.863615 14.1016 2.64629 13.9797 2.63761 -29.9618 -29.4317 0 128.568 T0307TS020_1-scwrl 131 1.73766 0 1.73766 131 -0.676714 -0.59322 -0.656241 -0.59322 -0.840442 -0.769231 -0.675213 -0.631579 0 0.860278 13.6675 2.61502 13.4687 2.60037 -29.0076 -28.5203 0 128.93 T0307TS038_5-scwrl 131 1.15278 0 1.15278 131 -0.560366 -0.525424 -0.756757 -0.607843 -0.71837 -0.679487 -0.808239 -0.688312 0 0.854538 12.9507 2.56115 12.5719 2.53146 -28.2443 -27.8009 0 128.983 T0307TS010_4 131 1.10795 0 1.10795 131 -0.66364 -0.601695 -0.649779 -0.614035 -0.812259 -0.769231 -0.69517 -0.686047 0 0.863615 14.1043 2.64648 13.9797 2.63761 -29.9618 -29.4317 0 129 T0307TS035_1-scwrl 131 1.82102 0 1.82102 131 -0.633653 -0.550847 -0.749744 -0.637255 -0.764375 -0.705128 -0.801119 -0.753425 0 0.883761 12.4535 2.522 11.9024 2.47674 -26.7176 -26.1086 8 129.283 T0307TS024_1-scwrl 131 0.524989 0 0.524989 131 -0.590595 -0.550847 -0.828441 -0.684211 -0.748909 -0.730769 -0.866034 -0.74026 0 0.850911 14.8175 2.69581 14.3833 2.66607 -26.3359 -25.1514 0 129.466 T0307TS038_2-scwrl 131 1.57142 0 1.57142 131 -0.61093 -0.542373 -0.703222 -0.646465 -0.775819 -0.74359 -0.694278 -0.725 0 0.856438 14.143 2.64922 13.3107 2.58857 -27.6718 -27.4945 0 131.965 T0307TS018_1 131 1.63953 0 1.63953 131 -0.685656 -0.644068 -0.638971 -0.542857 -0.827425 -0.794872 -0.739438 -0.666667 0 0.863083 14.1363 2.64875 14.1759 2.65154 -29.1985 -27.8097 0 131.999 T0307TS020_1 131 1.73811 0 1.73811 131 -0.660795 -0.576271 -0.630514 -0.566667 -0.840442 -0.769231 -0.675213 -0.631579 0 0.860278 13.6491 2.61368 13.4687 2.60037 -29.0076 -28.5203 0 133.14 T0307TS024_1 131 0.513249 0 0.513249 131 -0.578526 -0.550847 -0.810211 -0.625 -0.748909 -0.730769 -0.866034 -0.74026 0 0.850911 14.7093 2.68848 14.3833 2.66607 -26.3359 -25.1514 0 133.685 T0307TS024_2 131 0.536165 0 0.536165 131 -0.596499 -0.542373 -0.778809 -0.627451 -0.782612 -0.74359 -0.798311 -0.753247 0 0.833965 15.9859 2.7717 15.5078 2.74134 -27.6718 -26.5881 0 133.749 T0307TS033_5-scwrl 131 1.74158 0 1.74158 131 -0.64013 -0.59322 -0.718385 -0.648148 -0.804415 -0.782051 -0.745552 -0.685393 0 0.846462 17.5674 2.86604 17.2886 2.85004 -31.2977 -29.8645 0 133.775 T0307TS439_4 131 1.75838 0 1.75838 131 -0.570682 -0.525424 -0.794131 -0.62 -0.797939 -0.74359 -0.912327 -0.763158 0 0.860953 15.3612 2.73185 15.4174 2.73549 -29.1985 -28.8292 0 134.16 T0307TS033_2-scwrl 131 1.49345 0 1.49345 131 -0.65396 -0.610169 -0.724872 -0.62069 -0.829324 -0.807692 -0.800684 -0.692308 0 0.884314 15.181 2.72004 14.8506 2.69804 -28.2443 -28.1572 0 134.819 T0307TS020_2-scwrl 131 1.7451 0 1.7451 131 -0.660903 -0.59322 -0.681973 -0.588235 -0.836413 -0.782051 -0.730582 -0.67033 0 0.869378 16.0217 2.77394 15.7096 2.75427 -31.4885 -30.5032 0 135.189 T0307TS038_5 131 1.15339 0 1.15339 131 -0.551833 -0.508475 -0.690976 -0.566038 -0.71837 -0.679487 -0.808239 -0.688312 0 0.854538 12.8356 2.55222 12.5719 2.53146 -28.2443 -27.8009 0 135.324 T0307TS013_3-scwrl 131 1.39299 0 1.39299 131 -0.674819 -0.59322 -0.772983 -0.666667 -0.80654 -0.717949 -0.811841 -0.708861 0 0.857832 15.7546 2.75713 15.4453 2.73731 -23.2824 -23.5513 0 137.515 T0307TS010_2-scwrl 131 1.86875 0 1.86875 131 -0.643434 -0.584746 -0.680608 -0.616071 -0.785386 -0.75641 -0.716515 -0.670455 0 0.85246 13.7299 2.61957 13.5903 2.60936 -23.6641 -23.7163 0 137.547 T0307TS020_2 131 1.7463 0 1.7463 131 -0.658077 -0.584746 -0.658069 -0.575 -0.836413 -0.782051 -0.730582 -0.67033 0 0.869378 16.029 2.7744 15.7096 2.75427 -31.4885 -30.5032 0 137.627 T0307TS024_2-scwrl 131 0.542205 0 0.542205 131 -0.586507 -0.533898 -0.732492 -0.61165 -0.782612 -0.74359 -0.798311 -0.753247 0 0.833965 15.9856 2.77169 15.5078 2.74134 -27.6718 -26.5881 0 137.778 T0307TS038_2 131 1.57171 0 1.57171 131 -0.603534 -0.542373 -0.637521 -0.581818 -0.775819 -0.74359 -0.694278 -0.725 0 0.856438 13.9963 2.6388 13.3107 2.58857 -27.6718 -27.4945 0 138.487 T0307TS033_2 131 1.49339 0 1.49339 131 -0.578897 -0.542373 -0.782989 -0.627451 -0.829324 -0.807692 -0.800684 -0.692308 0 0.884314 15.1085 2.71526 14.8506 2.69804 -28.2443 -28.1572 0 138.551 T0307TS010_2 131 1.87089 0 1.87089 131 -0.636189 -0.576271 -0.668573 -0.596491 -0.785386 -0.75641 -0.716515 -0.670455 0 0.85246 13.6981 2.61726 13.5903 2.60936 -23.6641 -23.7163 0 139.832 T0307TS443_1 131 1.82721 0 1.82721 131 -0.499125 -0.491525 -0.830023 -0.662791 -0.659642 -0.666667 -0.819952 -0.69863 0 0.860861 15.6608 2.75116 15.029 2.70998 -28.8168 -28.3085 0 140.015 T0307TS443_1-scwrl 131 1.82721 0 1.82721 131 -0.499125 -0.491525 -0.830023 -0.662791 -0.659642 -0.666667 -0.819952 -0.69863 0 0.860861 15.6608 2.75116 15.029 2.70998 -28.8168 -28.3085 0 140.015 T0307TS038_3-scwrl 131 1.69941 0 1.69941 131 -0.552521 -0.5 -0.597711 -0.621053 -0.698445 -0.679487 -0.663368 -0.706667 0 0.844379 13.4625 2.59991 13.4375 2.59805 -28.2443 -27.7839 0 140.742 T0307TS035_4-scwrl 131 1.58246 0 1.58246 131 -0.571663 -0.5 -0.796659 -0.678161 -0.734196 -0.666667 -0.860136 -0.722222 0 0.854888 16.1719 2.78328 15.6856 2.75274 -27.0992 -27.0559 8 141.263 T0307TS033_5 131 1.7416 0 1.7416 131 -0.553263 -0.533898 -0.716305 -0.636364 -0.804415 -0.782051 -0.745552 -0.685393 0 0.846462 17.5574 2.86547 17.2886 2.85004 -31.2977 -29.8645 0 141.758 T0307TS337_2-scwrl 131 1.51625 0 1.51625 131 -0.57926 -0.516949 -0.732199 -0.61 -0.752676 -0.666667 -0.741045 -0.666667 0 0.879291 13.6624 2.61465 13.0641 2.56987 -26.3359 -26.1474 0 141.793 T0307TS307_4 131 0.71947 0 0.71947 131 -0.62618 -0.567797 -0.892891 -0.752809 -0.757135 -0.730769 -0.921848 -0.802817 0 0.892132 16.2178 2.78611 15.699 2.7536 -20.4198 -20.8765 0 143.142 T0307TS020_3-scwrl 131 1.51032 0 1.51032 131 -0.590462 -0.567797 -0.62312 -0.553719 -0.766194 -0.769231 -0.733138 -0.674157 0 0.845915 15.7123 2.75445 15.1925 2.7208 -29.0076 -28.469 0 143.554 T0307TS034_4 131 1.79659 0 1.79659 131 -0.533994 -0.466102 -0.625166 -0.561224 -0.734395 -0.653846 -0.646173 -0.607143 0 0.831647 15.7749 2.75842 15.977 2.77115 -33.0153 -32.1017 0 145.152 T0307TS034_4-scwrl 131 1.79659 0 1.79659 131 -0.533994 -0.466102 -0.625166 -0.561224 -0.734395 -0.653846 -0.646173 -0.607143 0 0.831647 15.7749 2.75842 15.977 2.77115 -33.0153 -32.1017 0 145.152 T0307TS664_5-scwrl 131 1.71265 0 1.71265 131 -0.599327 -0.550847 -0.768145 -0.637255 -0.730631 -0.730769 -0.788075 -0.695122 0 0.873895 17.3836 2.85553 17.3459 2.85335 -29.0076 -28.0644 0 146.026 T0307TS337_2 131 1.51463 0 1.51463 131 -0.545265 -0.483051 -0.709986 -0.606383 -0.752676 -0.666667 -0.741045 -0.666667 0 0.879291 13.6284 2.61215 13.0641 2.56987 -26.3359 -26.1474 0 146.392 T0307TS020_3 131 1.51173 0 1.51173 131 -0.587636 -0.559322 -0.589728 -0.540984 -0.766194 -0.769231 -0.733138 -0.674157 0 0.845915 15.753 2.75703 15.1925 2.7208 -29.0076 -28.469 0 146.516 T0307TS736_3u-scwrl 131 1.88322 0 1.88322 131 -0.644259 -0.59322 -0.719211 -0.625 -0.803914 -0.75641 -0.757176 -0.662921 0 0.898761 15.8282 2.76179 15.4405 2.73699 -26.9084 -26.2027 0 146.525 T0307TS074_1-scwrl 126 1.75192 0 1.75192 126 -0.683205 -0.618644 -0.635557 -0.651786 -0.855362 -0.807692 -0.647022 -0.670213 0 0.886053 14.0599 2.64332 13.5464 2.60612 -27.2901 -26.219 57 146.539 T0307TS307_1-scwrl 131 0.694501 0 0.694501 131 -0.604214 -0.559322 -0.927828 -0.717391 -0.757272 -0.730769 -0.946693 -0.814286 0 0.89238 16.3462 2.79399 15.9329 2.76839 -19.4656 -20.264 0 146.66 T0307TS307_4-scwrl 131 0.717337 0 0.717337 131 -0.624376 -0.567797 -0.875183 -0.697917 -0.757135 -0.730769 -0.921848 -0.802817 0 0.892132 16.1566 2.78233 15.699 2.7536 -20.4198 -20.8765 0 146.73 T0307TS439_1 131 1.90608 0 1.90608 131 -0.573946 -0.533898 -0.808185 -0.613861 -0.722313 -0.730769 -0.879865 -0.691358 0 0.88579 15.499 2.74078 15.3057 2.72823 -25.7634 -25.6608 0 146.77 T0307TS178_5 131 1.4721 0 1.4721 131 -0.537923 -0.491525 -0.641669 -0.527273 -0.634695 -0.628205 -0.743179 -0.653333 0 0.844087 13.9408 2.63482 13.9749 2.63726 -28.8168 -27.6033 0 147.22 T0307TS178_5-scwrl 131 1.4721 0 1.4721 131 -0.537923 -0.491525 -0.641669 -0.527273 -0.634695 -0.628205 -0.743179 -0.653333 0 0.844087 13.9491 2.63542 13.9749 2.63726 -28.8168 -27.6033 0 147.241 T0307TS664_5 131 1.71437 0 1.71437 131 -0.586891 -0.550847 -0.748163 -0.643564 -0.730631 -0.730769 -0.788075 -0.695122 0 0.873895 17.4592 2.85987 17.3459 2.85335 -29.0076 -28.0644 0 147.484 T0307TS439_1-scwrl 131 1.9134 0 1.9134 131 -0.57829 -0.542373 -0.764827 -0.623762 -0.722313 -0.730769 -0.879865 -0.691358 0 0.88579 15.4528 2.73779 15.3057 2.72823 -25.7634 -25.6608 0 147.698 T0307TS664_4-scwrl 131 1.71533 0 1.71533 131 -0.591674 -0.542373 -0.789579 -0.615385 -0.715095 -0.705128 -0.803488 -0.679012 0 0.877888 17.4706 2.86052 17.3707 2.85478 -29.0076 -28.2056 0 148.148 T0307TS710_3-scwrl 131 1.71533 0 1.71533 131 -0.591674 -0.542373 -0.789579 -0.615385 -0.715095 -0.705128 -0.803488 -0.679012 0 0.877888 17.4706 2.86052 17.3707 2.85478 -29.0076 -28.2056 0 148.148 T0307TS038_3 131 1.69927 0 1.69927 131 -0.536269 -0.5 -0.54046 -0.546296 -0.698445 -0.679487 -0.663368 -0.706667 0 0.844379 13.4641 2.60002 13.4375 2.59805 -28.2443 -27.7839 0 148.159 T0307TS025_4-scwrl 131 0.641253 0 0.641253 131 -0.400441 -0.40678 -0.846297 -0.623377 -0.491023 -0.551282 -0.94686 -0.716667 0 0.860425 13.5365 2.60539 13.1268 2.57466 -25.7634 -25.6603 0 148.186 T0307TS050_3-scwrl 131 0.641253 0 0.641253 131 -0.400441 -0.40678 -0.846297 -0.623377 -0.491023 -0.551282 -0.94686 -0.716667 0 0.860425 13.5365 2.60539 13.1268 2.57466 -25.7634 -25.6603 0 148.186 T0307TS307_1 131 0.698933 0 0.698933 131 -0.599704 -0.567797 -0.904765 -0.697917 -0.757272 -0.730769 -0.946693 -0.814286 0 0.89238 16.2986 2.79108 15.9329 2.76839 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1.63505 0 1.63505 131 -0.648455 -0.59322 -0.716684 -0.666667 -0.826327 -0.807692 -0.742947 -0.7875 0 0.885124 15.4815 2.73965 15.0408 2.71076 -20.9924 -21.2367 0 149.11 T0307TS337_1 131 1.56759 0 1.56759 131 -0.536116 -0.491525 -0.794797 -0.617021 -0.656436 -0.615385 -0.800108 -0.657534 0 0.883876 14.3541 2.66404 13.6049 2.61043 -24.8092 -24.73 0 149.523 T0307TS179_4 131 1.63505 0 1.63505 131 -0.648455 -0.59322 -0.714214 -0.660377 -0.826327 -0.807692 -0.742947 -0.7875 0 0.885124 15.4802 2.73956 15.0408 2.71076 -20.9924 -21.2367 0 149.545 T0307TS013_3 131 1.39526 0 1.39526 131 -0.613045 -0.542373 -0.706452 -0.603774 -0.80654 -0.717949 -0.811841 -0.708861 0 0.857832 15.7616 2.75758 15.4453 2.73731 -23.2824 -23.5513 0 149.633 T0307TS125_4-scwrl 131 0.75003 0 0.75003 131 -0.525441 -0.491525 -0.938657 -0.77027 -0.692085 -0.679487 -0.971382 -0.825397 0 0.899366 16.5598 2.80698 16.1163 2.77983 -22.1374 -21.6976 0 149.699 T0307TS125_4u-scwrl 131 0.75003 0 0.75003 131 -0.525441 -0.491525 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126 1.62295 0 1.62295 126 -0.580923 -0.542373 -0.616652 -0.603774 -0.743148 -0.730769 -0.63057 -0.662791 0 0.877783 12.9656 2.5623 12.4489 2.52163 -26.5267 -26.2943 57 154.606 T0307TS298_3-scwrl 131 0.678725 0 0.678725 131 -0.578572 -0.516949 -0.806384 -0.677778 -0.721593 -0.679487 -0.846049 -0.815385 0 0.875103 16.5097 2.80395 16.1715 2.78325 -21.374 -20.8178 0 154.855 T0307TS113_4 123 0.963497 0 0.963497 123 -0.595348 -0.559322 -0.814673 -0.712766 -0.714101 -0.717949 -0.881507 -0.802817 0 0.891897 14.763 2.69213 14.1329 2.6485 -21.374 -20.8267 55 155.589 T0307TS113_5 131 1.97728 0 1.97728 131 -0.545357 -0.491525 -0.541105 -0.542056 -0.673068 -0.653846 -0.558222 -0.607143 0 0.846252 15.2056 2.72167 14.7847 2.69359 -29.5802 -29.1233 0 155.688 T0307TS010_1-scwrl 131 1.90613 0 1.90613 131 -0.625632 -0.618644 -0.621521 -0.55814 -0.784394 -0.807692 -0.630317 -0.601942 0 0.873988 17.507 2.8626 17.4185 2.85753 -28.4351 -27.0782 0 155.761 T0307TS307_1u-scwrl 126 0.639095 0 0.639095 126 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T0307TS113_2 131 1.79981 0 1.79981 131 -0.564033 -0.533898 -0.725744 -0.588785 -0.703428 -0.717949 -0.750618 -0.629213 0 0.88952 17.1796 2.84372 17.2715 2.84906 -28.2443 -27.4824 0 158.544 T0307TS025_3-scwrl 131 1.29607 0 1.29607 131 -0.45225 -0.440678 -0.57971 -0.5 -0.58973 -0.589744 -0.666485 -0.605263 0 0.85852 14.0726 2.64423 14.0328 2.6414 -31.6794 -30.0654 0 158.605 T0307TS568_2 131 1.75115 0 1.75115 131 -0.547878 -0.508475 -0.727387 -0.594059 -0.680319 -0.679487 -0.784592 -0.654321 0 0.87333 17.3981 2.85636 17.628 2.86949 -28.0534 -27.1701 0 158.623 T0307TS664_3 131 1.75115 0 1.75115 131 -0.547878 -0.508475 -0.727387 -0.594059 -0.680319 -0.679487 -0.784592 -0.654321 0 0.87333 17.3981 2.85636 17.628 2.86949 -28.0534 -27.1701 0 158.623 T0307TS710_2 131 1.75115 0 1.75115 131 -0.547878 -0.508475 -0.727387 -0.594059 -0.680319 -0.679487 -0.784592 -0.654321 0 0.87333 17.3981 2.85636 17.628 2.86949 -28.0534 -27.1701 0 158.623 T0307TS074_3 126 1.62856 0 1.62856 126 -0.556831 -0.525424 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