# cost function cost = # ( 1 * constraints ) # 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 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 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 2h00A 222 -0.194621 -1 -1 -1 -1 -1 -1 -1 -1 1 0 0 -7 8.0008e-09 -7 -100 -100 204 -844.2 T0293TS024_1-scwrl 222 -0.340907 -0.413382 -0.408377 -0.742584 -0.590909 -0.647555 -0.610169 -0.822683 -0.75 0 0.703631 5.82396 1.76198 4.77049 1.56245 -55.0676 -52.1306 0 6.00401 T0293TS556_3 222 -0.332678 -0.526772 -0.460733 -0.734062 -0.586667 -0.705639 -0.652542 -0.789822 -0.7 0 0.682151 6.87972 1.92858 6.18859 1.82271 -55.8559 -51.9746 0 6.88945 T0293TS024_1 222 -0.335187 -0.426779 -0.418848 -0.73726 -0.536913 -0.647555 -0.610169 -0.822683 -0.75 0 0.703631 5.78261 1.75485 4.77049 1.56245 -55.0676 -52.1306 0 7.5272 T0293TS024_4-scwrl 222 -0.353239 -0.398509 -0.376963 -0.779681 -0.533333 -0.643864 -0.584746 -0.882889 -0.69 0 0.695558 5.66406 1.73414 4.73218 1.55438 -54.6171 -51.5073 0 7.87435 T0293TS024_2-scwrl 222 -0.358851 -0.42966 -0.376963 -0.821089 -0.605042 -0.627335 -0.567797 -0.900315 -0.728261 0 0.713341 5.9001 1.77497 4.96383 1.60218 -53.8288 -51.232 0 7.92195 T0293TS024_4 222 -0.337234 -0.419305 -0.397906 -0.736642 -0.513514 -0.643864 -0.584746 -0.882889 -0.69 0 0.695558 5.56414 1.71634 4.73218 1.55438 -54.6171 -51.5073 0 8.30749 T0293TS025_1-scwrl 222 -0.266522 -0.427948 -0.376963 -0.792913 -0.529412 -0.67371 -0.576271 -0.902184 -0.693878 0 0.70775 5.82939 1.76291 4.93679 1.59672 -55.4054 -52.1723 0 8.7536 T0293TS050_2-scwrl 222 -0.266522 -0.427948 -0.376963 -0.792913 -0.529412 -0.67371 -0.576271 -0.902184 -0.693878 0 0.70775 5.82939 1.76291 4.93679 1.59672 -55.4054 -52.1723 0 8.7536 T0293TS025_1 222 -0.259212 -0.451432 -0.403141 -0.757753 -0.49359 -0.67371 -0.576271 -0.902184 -0.693878 0 0.70775 5.8018 1.75817 4.93679 1.59672 -55.4054 -52.1723 0 9.65348 T0293TS050_2 222 -0.259212 -0.451432 -0.403141 -0.757753 -0.49359 -0.67371 -0.576271 -0.902184 -0.693878 0 0.70775 5.8018 1.75817 4.93679 1.59672 -55.4054 -52.1723 0 9.65348 T0293TS556_3-scwrl 222 -0.332678 -0.470904 -0.439791 -0.715088 -0.604317 -0.705639 -0.652542 -0.789822 -0.7 0 0.682151 6.86653 1.92666 6.18859 1.82271 -55.8559 -51.9746 0 10.729 T0293TS024_2 222 -0.344496 -0.416038 -0.382199 -0.792325 -0.493243 -0.627335 -0.567797 -0.900315 -0.728261 0 0.713341 5.9554 1.7843 4.96383 1.60218 -53.8288 -51.232 0 15.6959 T0293TS556_2 222 -0.340483 -0.491545 -0.439791 -0.653516 -0.541935 -0.717612 -0.644068 -0.741741 -0.716981 0 0.688555 7.0034 1.9464 6.35157 1.8487 -55.8559 -51.7474 0 19.1493 T0293TS556_2-scwrl 222 -0.340483 -0.473045 -0.429319 -0.651591 -0.573427 -0.717612 -0.644068 -0.741741 -0.716981 0 0.688555 7.03501 1.9509 6.35157 1.8487 -55.8559 -51.7474 0 19.2771 T0293TS047_4 220 -0.276253 -0.499853 -0.455497 -0.792744 -0.591837 -0.745271 -0.677966 -0.854454 -0.727273 0 0.716135 6.42178 1.85969 5.52659 1.70957 -49.5495 -47.1269 20 19.8807 T0293TS026_3-scwrl 222 -0.277767 -0.367041 -0.356021 -0.774297 -0.576271 -0.564245 -0.533898 -0.881678 -0.75 0 0.718542 6.19294 1.82341 5.21779 1.65207 -54.5045 -50.8679 0 20.7379 T0293TS338_1-scwrl 214 -0.244615 -0.38631 -0.403141 -0.682133 -0.578947 -0.593141 -0.610169 -0.855015 -0.774194 0 0.694086 5.71735 1.74351 4.87226 1.58356 -55.0676 -52.1188 64 22.1086 T0293TS047_4-scwrl 219 -0.276253 -0.499853 -0.455497 -0.787196 -0.587838 -0.745271 -0.677966 -0.854454 -0.727273 0 0.715715 6.38431 1.85384 5.5059 1.70582 -49.4369 -47.0136 31 22.3827 T0293TS025_2-scwrl 222 -0.293266 -0.445035 -0.403141 -0.77105 -0.542254 -0.657117 -0.584746 -0.84759 -0.69 0 0.719673 6.73911 1.90793 5.86464 1.76894 -53.6036 -50.6649 0 23.6431 T0293TS710_4-scwrl 222 -0.170564 -0.407166 -0.39267 -0.652918 -0.576923 -0.606639 -0.576271 -0.836025 -0.731183 0 0.75881 6.06396 1.80236 4.89831 1.58889 -56.6441 -52.8847 0 23.9976 T0293TS664_2-scwrl 222 -0.170588 -0.407166 -0.39267 -0.65295 -0.576923 -0.606639 -0.576271 -0.83621 -0.731183 0 0.758804 6.06396 1.80236 4.8983 1.58889 -56.5315 -52.83 0 24.1602 T0293TS047_5 218 -0.225842 -0.484981 -0.429319 -0.767844 -0.532468 -0.756009 -0.652542 -0.871224 -0.740385 0 0.714047 6.4101 1.85788 5.42235 1.69053 -52.027 -49.0077 38 24.184 T0293TS338_1 215 -0.240495 -0.391224 -0.403141 -0.640519 -0.534722 -0.593141 -0.610169 -0.855015 -0.774194 0 0.694012 5.67645 1.73633 4.88189 1.58553 -55.0676 -52.1744 57 24.4923 T0293TS047_5-scwrl 216 -0.234299 -0.483662 -0.429319 -0.77154 -0.569444 -0.756009 -0.652542 -0.871224 -0.740385 0 0.717335 6.35897 1.84987 5.35289 1.67764 -52.027 -48.9084 50 24.7061 T0293TS038_1-scwrl 222 -0.295207 -0.384048 -0.371728 -0.711522 -0.5 -0.586855 -0.559322 -0.828471 -0.647059 0 0.71553 6.12262 1.81199 5.16798 1.64248 -54.6171 -51.5372 0 25.0638 T0293TS212_1-scwrl 222 -0.346805 -0.403658 -0.424084 -0.601726 -0.554795 -0.605549 -0.635593 -0.870123 -0.75 0 0.686409 6.78933 1.91535 5.98693 1.78958 -53.8288 -51.0258 0 25.3261 T0293TS046_3 214 -0.283634 -0.496941 -0.418848 -0.828544 -0.583942 -0.727077 -0.601695 -0.860298 -0.72449 0 0.742346 5.93935 1.7816 4.82363 1.57353 -51.5766 -48.4083 66 25.6967 T0293TS267_3-scwrl 222 -0.27167 -0.36928 -0.366492 -0.673823 -0.654206 -0.561916 -0.559322 -0.926527 -0.868421 0 0.719497 6.49483 1.87101 5.55931 1.71547 -52.5901 -49.8072 0 26.0996 T0293TS178_5 222 -0.245032 -0.374275 -0.366492 -0.746384 -0.583333 -0.585238 -0.542373 -0.953336 -0.853333 0 0.752613 6.17823 1.82103 5.19795 1.64826 -53.7162 -50.379 0 26.7444 T0293TS046_1 218 -0.293632 -0.473729 -0.434555 -0.755268 -0.576389 -0.725002 -0.627119 -0.823159 -0.704762 0 0.741389 6.07487 1.80416 5.04582 1.61856 -51.0135 -48.7021 37 26.8671 T0293TS710_4 222 -0.169254 -0.428395 -0.397906 -0.598239 -0.542857 -0.606639 -0.576271 -0.836025 -0.731183 0 0.75881 6.03219 1.79711 4.89831 1.58889 -56.6441 -52.8847 0 26.9278 T0293TS178_5-scwrl 222 -0.245032 -0.374275 -0.366492 -0.753867 -0.57377 -0.585238 -0.542373 -0.953336 -0.853333 0 0.752613 6.19498 1.82374 5.19795 1.64826 -53.7162 -50.379 0 26.9431 T0293TS664_2 222 -0.169266 -0.428395 -0.397906 -0.598344 -0.542857 -0.606639 -0.576271 -0.83621 -0.731183 0 0.758804 6.03218 1.79711 4.8983 1.58889 -56.5315 -52.83 0 27.0867 T0293TS004_5 222 -0.176621 -0.439677 -0.413613 -0.538398 -0.537415 -0.616098 -0.567797 -0.763439 -0.67 0 0.747705 6.01253 1.79384 4.87534 1.58419 -56.8694 -53.1091 0 27.2444 T0293TS025_3-scwrl 222 -0.237703 -0.364752 -0.340314 -0.851517 -0.528455 -0.573632 -0.525424 -0.911276 -0.666667 0 0.738822 6.23037 1.82944 5.25929 1.66 -53.2658 -49.9606 0 27.3463 T0293TS025_4-scwrl 222 -0.237703 -0.364752 -0.340314 -0.851517 -0.528455 -0.573632 -0.525424 -0.911276 -0.666667 0 0.738822 6.23037 1.82944 5.25929 1.66 -53.2658 -49.9606 0 27.3463 T0293TS212_1 222 -0.346237 -0.404838 -0.418848 -0.607482 -0.519481 -0.605549 -0.635593 -0.870123 -0.75 0 0.686409 6.85661 1.92521 5.98693 1.78958 -53.8288 -51.0258 0 27.3519 T0293TS027_5-scwrl 222 0.0202402 -0.383943 -0.376963 -0.516099 -0.514286 -0.568342 -0.550847 -0.701075 -0.691489 0 0.696206 5.91337 1.77722 4.90848 1.59096 -54.955 -51.9777 0 27.5579 T0293TS027_5 222 0.0263017 -0.365118 -0.366492 -0.562479 -0.492958 -0.568342 -0.550847 -0.701075 -0.691489 0 0.696206 5.90752 1.77623 4.90848 1.59096 -54.955 -51.9777 0 27.7354 T0293TS186_2 217 -0.358452 -0.341312 -0.376963 -0.596504 -0.541353 -0.53614 -0.559322 -0.924607 -0.758621 0 0.693644 5.79049 1.75622 4.80066 1.56875 -55.1802 -52.3045 44 27.9807 T0293TS026_3 222 -0.275597 -0.376636 -0.361257 -0.700838 -0.482517 -0.564245 -0.533898 -0.881678 -0.75 0 0.718542 6.12932 1.81308 5.21779 1.65207 -54.5045 -50.8679 0 27.9955 T0293TS418_1-scwrl 222 -0.203542 -0.421304 -0.397906 -0.654484 -0.550725 -0.627071 -0.59322 -0.863061 -0.736842 0 0.698839 6.72952 1.9065 5.8282 1.76271 -52.1396 -49.484 0 28.3301 T0293TS004_5-scwrl 222 -0.178979 -0.405001 -0.387435 -0.577742 -0.532374 -0.616098 -0.567797 -0.763439 -0.67 0 0.747705 5.9853 1.78931 4.87534 1.58419 -56.8694 -53.1091 0 28.4131 T0293TS556_1-scwrl 222 -0.335583 -0.491914 -0.450262 -0.612477 -0.562092 -0.717844 -0.652542 -0.677271 -0.706422 0 0.691839 7.81561 2.05612 7.1372 1.96532 -55.518 -51.7926 0 28.6031 T0293TS213_1-scwrl 222 -0.193309 -0.477888 -0.460733 -0.72618 -0.594595 -0.735909 -0.694915 -0.889702 -0.803922 0 0.727255 7.79173 2.05306 7.03886 1.95145 -52.8153 -49.8074 0 29.0146 T0293TS214_1 222 -0.267202 -0.486307 -0.429319 -0.665345 -0.503067 -0.658117 -0.610169 -0.880514 -0.712871 0 0.696709 7.33464 1.99261 6.75471 1.91024 -53.6036 -50.1252 0 29.8429 T0293TS046_3-scwrl 212 -0.283634 -0.480401 -0.413613 -0.831576 -0.589552 -0.727077 -0.601695 -0.860298 -0.72449 0 0.742106 5.83642 1.76412 4.73025 1.55398 -51.3514 -48.2464 91 30.4943 T0293TS046_1-scwrl 217 -0.293632 -0.473729 -0.434555 -0.735399 -0.576389 -0.725002 -0.627119 -0.823159 -0.704762 0 0.741071 6.08305 1.80551 5.04482 1.61836 -51.0135 -48.605 51 30.7353 T0293TS038_1 222 -0.297343 -0.380824 -0.361257 -0.668036 -0.425926 -0.586855 -0.559322 -0.828471 -0.647059 0 0.71553 6.01092 1.79358 5.16798 1.64248 -54.6171 -51.5372 0 30.9822 T0293TS025_2 222 -0.287758 -0.407114 -0.382199 -0.7253 -0.483444 -0.657117 -0.584746 -0.84759 -0.69 0 0.719673 6.68033 1.89917 5.86464 1.76894 -53.6036 -50.6649 0 31.5077 T0293TS418_1 222 -0.200815 -0.457316 -0.408377 -0.603135 -0.47561 -0.627071 -0.59322 -0.863061 -0.736842 0 0.698839 6.70586 1.90298 5.8282 1.76271 -52.1396 -49.484 0 32.2058 T0293TS234_1 222 -0.273681 -0.441595 -0.413613 -0.65482 -0.51634 -0.658117 -0.610169 -0.880514 -0.712871 0 0.696709 7.38163 1.99899 6.75471 1.91024 -53.6036 -50.1252 0 32.9499 T0293TS234_1-scwrl 222 -0.273681 -0.441595 -0.413613 -0.65482 -0.51634 -0.658117 -0.610169 -0.880514 -0.712871 0 0.696709 7.38163 1.99899 6.75471 1.91024 -53.6036 -50.1252 0 32.9499 T0293TS213_1 222 -0.189718 -0.478336 -0.450262 -0.679663 -0.562092 -0.735909 -0.694915 -0.889702 -0.803922 0 0.727255 7.72046 2.04387 7.03886 1.95145 -52.8153 -49.8074 0 33.1452 T0293TS414_2-scwrl 222 -0.338497 -0.335868 -0.376963 -0.836525 -0.595041 -0.525551 -0.584746 -0.963845 -0.802326 0 0.697262 7.48713 2.01319 6.92767 1.93552 -50.5631 -48.0351 0 33.3969 T0293TS349_1-scwrl 218 -0.265312 -0.376865 -0.376963 -0.519334 -0.517986 -0.582762 -0.584746 -0.84426 -0.758242 0 0.713235 5.89412 1.77396 4.76708 1.56173 -55.4054 -51.8033 33 33.7211 T0293TS186_2-scwrl 212 -0.358601 -0.351832 -0.371728 -0.608013 -0.559055 -0.53614 -0.559322 -0.924607 -0.758621 0 0.69192 5.74269 1.74793 4.76199 1.56067 -54.6171 -51.6724 80 33.7736 T0293TS178_4 222 -0.241539 -0.374076 -0.366492 -0.64724 -0.603448 -0.585594 -0.550847 -0.954412 -0.878378 0 0.752506 6.32906 1.84515 5.48299 1.70165 -53.1532 -49.9358 0 33.7869 T0293TS349_1 218 -0.26302 -0.39116 -0.408377 -0.505563 -0.478528 -0.582762 -0.584746 -0.844256 -0.75 0 0.713235 5.87472 1.77066 4.76708 1.56173 -55.4054 -51.8033 33 34.0642 T0293TS178_4-scwrl 222 -0.241539 -0.374076 -0.366492 -0.653562 -0.59322 -0.585594 -0.550847 -0.954412 -0.878378 0 0.752506 6.34664 1.84793 5.48299 1.70165 -53.1532 -49.9358 0 34.0793 T0293TS025_3 222 -0.225271 -0.383718 -0.361257 -0.745557 -0.45098 -0.573632 -0.525424 -0.911276 -0.666667 0 0.738822 6.18573 1.82224 5.25929 1.66 -53.2658 -49.9606 0 34.2709 T0293TS025_4 222 -0.225271 -0.383718 -0.361257 -0.745557 -0.45098 -0.573632 -0.525424 -0.911276 -0.666667 0 0.738822 6.18573 1.82224 5.25929 1.66 -53.2658 -49.9606 0 34.2709 T0293TS046_2 213 -0.301676 -0.470574 -0.403141 -0.796441 -0.557971 -0.713739 -0.601695 -0.873225 -0.68932 1 0.717237 5.57472 1.71824 4.63391 1.5334 -51.5766 -48.4089 77 34.8163 T0293TS024_5-scwrl 222 -0.310633 -0.362251 -0.324607 -0.786764 -0.496 -0.566187 -0.491525 -0.880015 -0.674419 0 0.750627 6.38272 1.85359 5.50265 1.70523 -55.0676 -51.2063 0 35.2816 T0293TS267_3 222 -0.272539 -0.345704 -0.350785 -0.60445 -0.567797 -0.561916 -0.559322 -0.926527 -0.868421 0 0.719497 6.5518 1.87974 5.55931 1.71547 -52.5901 -49.8072 0 36.1585 T0293TS026_1-scwrl 222 -0.298102 -0.351784 -0.356021 -0.742243 -0.539683 -0.532194 -0.516949 -0.837099 -0.709302 0 0.742669 6.3299 1.84528 5.34542 1.67624 -52.2523 -49.1091 0 36.6025 T0293TS298_3-scwrl 220 -0.177994 -0.404006 -0.418848 -0.699679 -0.592593 -0.604017 -0.618644 -0.866592 -0.811111 0 0.708145 7.73973 2.04637 7.13479 1.96498 -53.7162 -50.2797 20 37.4455 T0293TS027_3 222 -0.332393 -0.381844 -0.371728 -0.537754 -0.550388 -0.587056 -0.550847 -0.821633 -0.730337 0 0.715404 6.50339 1.87232 5.44414 1.69454 -52.8153 -50.0757 0 37.5727 T0293TS105_1-scwrl 222 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93.7364 T0293TS011_1-scwrl 206 -0.110811 -0.332734 -0.314136 -0.592855 -0.483871 -0.491138 -0.474576 -0.751179 -0.608696 0 0.796994 6.20119 1.82474 5.1573 1.64041 -49.5495 -46.1337 133 93.9582 T0293TS035_3 222 -0.385136 -0.263399 -0.256545 -0.44276 -0.385827 -0.400496 -0.398305 -0.726927 -0.681159 0 0.766448 7.88114 2.06447 6.90434 1.93215 -51.5766 -48.2453 0 94.1934 T0293TS203_1-scwrl 222 -0.0565964 -0.372742 -0.335079 -0.584112 -0.438356 -0.54253 -0.491525 -0.748594 -0.674419 0 0.798343 8.82698 2.17781 8.07017 2.08817 -47.973 -45.2065 0 94.2727 T0293TS274_1 219 -0.147697 -0.301547 -0.240838 -0.502439 -0.380165 -0.427587 -0.347458 -0.787963 -0.650794 0 0.767352 7.81777 2.0564 7.04893 1.95288 -52.3649 -49.3684 27 94.3099 T0293TS091_1-scwrl 222 0.47198 -0.413447 -0.382199 -0.627605 -0.521429 -0.654001 -0.601695 -0.796861 -0.71 0 0.824789 9.13442 2.21205 8.31584 2.11816 -44.5946 -42.0369 0 94.4334 T0293TS435_1 222 -0.248668 -0.341255 -0.303665 -0.442886 -0.358025 -0.510144 -0.457627 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T0293TS247_5 208 -0.76672 -0.283737 -0.251309 -0.408233 -0.387097 -0.408702 -0.381356 -0.555289 -0.54878 1 0.814438 9.36163 2.23662 8.51801 2.14218 -41.8919 -39.6892 125 173.394 T0293TS028_5-scwrl 222 0.236703 -0.236603 -0.219895 -0.34741 -0.35 -0.338608 -0.305085 -0.522184 -0.473684 0 0.832161 11.4837 2.44093 10.5817 2.35913 -38.4009 -36.7285 0 173.418 T0293TS318_5 222 -0.0239076 -0.189384 -0.240838 -0.474177 -0.348485 -0.301795 -0.364407 -0.794863 -0.544304 0 0.847885 13.1147 2.57374 12.5374 2.52871 -40.6532 -38.7256 0 173.443 T0293TS064_2u-scwrl 221 0.980643 -0.315502 -0.324607 -0.555326 -0.484375 -0.506339 -0.5 -0.654764 -0.621053 0 0.875398 14.1387 2.64892 13.5778 2.60844 -33.7838 -32.6847 8 174.364 T0293TS137_2 222 1.01697 -0.269346 -0.251309 -0.482083 -0.403361 -0.375227 -0.355932 -0.868345 -0.688525 0 0.810302 15.588 2.7465 14.7928 2.69414 -36.5991 -34.7033 0 174.525 T0293TS066_1 222 0.00438024 -0.211325 -0.235602 -0.390279 -0.351562 -0.325848 -0.372881 -0.735077 -0.594595 0 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