# cost function cost = # ( 5 * bystroff + 5 * pred_bys_t2k + 5 * pred_bys_t04 + 5 * pred_bys_t06 + 5 * pred_bys_mean + 5 * pred_pb_t2k + 5 * pred_pb_t04 + 5 * pred_pb_t06 + 5 * pred_pb_mean ) # 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 bystroff pred_bys_t2k pred_bys_t04 pred_bys_t06 pred_bys_mean pred_pb_t2k pred_pb_t04 pred_pb_t06 pred_pb_mean cost 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 10N 10N 10N 10N 10N 10N 10N 10N 10N 2hd3A 95 -0.304526 1.35738 1.35124 1.35139 1.35252 1.13847 1.1386 1.14236 1.13835 48.3289 -1 -1 -1 -1 -1 -1 -1 -1 0 0 0 -7 0 -7 -100 -100 0 -895 T0306TS435_5-scwrl 95 -0.151053 2.17787 2.19478 2.18802 2.18544 2.36716 2.38502 2.37829 2.375 90.5027 -0.219156 -0.230769 -0.45816 -0.357143 -0.334251 -0.318182 -0.571367 -0.451613 0 0.847132 11.0424 2.40174 10.2302 2.32534 -38.9474 -37.8865 0 166.398 T0306TS029_2-scwrl 95 -0.0821053 2.28849 2.28296 2.28234 2.28269 2.55398 2.57803 2.57607 2.56585 96.6416 -0.0804307 -0.138462 -0.182894 -0.219512 -0.122667 -0.181818 -0.318853 -0.266667 0 0.884058 7.1415 1.96592 6.31774 1.84336 -47.3684 -44.6945 0 168.892 T0306TS029_2 95 -0.0821053 2.28849 2.28296 2.28234 2.28269 2.55398 2.57803 2.57607 2.56585 96.6416 -0.0804268 -0.123077 -0.173551 -0.2 -0.122667 -0.181818 -0.318853 -0.266667 0 0.884058 7.1062 1.96097 6.31774 1.84336 -47.3684 -44.6945 0 170.931 T0306TS435_5 95 -0.151053 2.17787 2.19478 2.18802 2.18544 2.36716 2.38502 2.37829 2.375 90.5027 -0.219152 -0.215385 -0.371717 -0.325581 -0.334251 -0.318182 -0.571367 -0.451613 0 0.847132 10.9621 2.39445 10.2302 2.32534 -38.9474 -37.8865 0 172.813 T0306TS453_2-scwrl 95 -0.218947 2.12686 2.1422 2.13764 2.13374 2.36677 2.4169 2.41307 2.39608 89.5715 -0.121403 -0.153846 -0.24312 -0.3125 -0.185164 -0.227273 -0.387938 -0.416667 0 0.856324 10.3834 2.34021 9.85392 2.28787 -45.7895 -44.6779 0 177.627 T0306TS453_2 95 -0.218947 2.12686 2.1422 2.13764 2.13374 2.36677 2.4169 2.41307 2.39608 89.5715 -0.121403 -0.153846 -0.218596 -0.238095 -0.185164 -0.227273 -0.387938 -0.416667 0 0.856324 10.3001 2.33216 9.85392 2.28787 -45.7895 -44.6779 0 182.292 T0306TS248_2-scwrl 95 -0.0510526 2.05005 2.07145 2.06773 2.06064 2.85769 2.82896 2.82689 2.83282 97.7259 -0.129709 -0.138462 -0.28619 -0.25 -0.197832 -0.204545 -0.491728 -0.321429 0 0.853876 10.0651 2.30907 9.32662 2.23287 -40.2632 -39.0272 0 186.915 T0306TS029_4-scwrl 95 -0.166316 2.51257 2.51216 2.51001 2.50966 2.58084 2.58258 2.58245 2.57875 101.013 -0.101229 -0.107692 -0.0418906 -0.175 -0.118823 -0.136364 -0.0454995 -0.25 0 0.878557 7.67055 2.03739 7.12631 1.96379 -46.0526 -43.5392 0 189.545 T0306TS020_1-scwrl 95 -0.383789 1.38031 1.3803 1.38222 1.37967 1.4098 1.45104 1.448 1.4314 54.3948 -0.219998 -0.123077 -0.150886 -0.140351 -0.322564 -0.159091 -0.177497 -0.162791 0 0.882762 8.08163 2.08959 7.44651 2.00775 -41.3158 -39.0179 0 189.652 T0306TS020_1 95 -0.383789 1.38031 1.3803 1.38222 1.37967 1.4098 1.45104 1.448 1.4314 54.3948 -0.219998 -0.123077 -0.143725 -0.140351 -0.322564 -0.159091 -0.177497 -0.162791 0 0.882762 8.09133 2.09079 7.44651 2.00775 -41.3158 -39.0179 0 190.052 T0306TS029_4 95 -0.166316 2.51257 2.51216 2.51001 2.50966 2.58084 2.58258 2.58245 2.57875 101.013 -0.0779063 -0.0923077 -0.0353054 -0.2 -0.118823 -0.136364 -0.0454995 -0.25 0 0.878557 7.7008 2.04132 7.12631 1.96379 -46.0526 -43.5392 0 190.697 T0306TS248_2 95 -0.0510526 2.05005 2.07145 2.06773 2.06064 2.85769 2.82896 2.82689 2.83282 97.7259 -0.129709 -0.138462 -0.232865 -0.1875 -0.197832 -0.204545 -0.491728 -0.321429 0 0.853876 9.992 2.30178 9.32662 2.23287 -40.2632 -39.0272 0 192.451 T0306TS435_2-scwrl 95 -0.00915789 2.22811 2.24648 2.24011 2.23546 2.68195 2.66434 2.66262 2.66392 98.0692 -0.130344 -0.169231 -0.138741 -0.25 -0.198795 -0.227273 -0.210845 -0.322581 0 0.853717 9.98493 2.30108 9.32415 2.23261 -40.5263 -39.0131 0 194.709 T0306TS248_5-scwrl 95 -0.101053 1.92529 1.9513 1.94546 1.93898 2.3904 2.4196 2.41543 2.40636 86.4589 -0.205132 -0.2 -0.0297041 -0.371429 -0.312861 -0.272727 -0.199129 -0.545455 0 0.850535 11.0544 2.40283 10.2854 2.33072 -37.8947 -37.3991 0 195.219 T0306TS664_3 95 -0.155263 2.26651 2.27142 2.2698 2.26721 2.46427 2.47685 2.47425 2.46767 94.0137 -0.0772751 -0.0769231 -0.0323865 -0.15625 -0.11786 -0.113636 -0.0593528 -0.217391 0 0.881093 7.71084 2.04263 7.16037 1.96856 -45.2632 -43.4316 0 195.849 T0306TS664_3-scwrl 95 -0.155263 2.26651 2.27142 2.2698 2.26721 2.46427 2.47685 2.47425 2.46767 94.0137 -0.0772751 -0.0769231 -0.0337501 -0.142857 -0.11786 -0.113636 -0.0593528 -0.217391 0 0.881093 7.68881 2.03977 7.16037 1.96856 -45.2632 -43.4316 0 196.35 T0306TS248_5 95 -0.101053 1.92529 1.9513 1.94546 1.93898 2.3904 2.4196 2.41543 2.40636 86.4589 -0.205128 -0.184615 -0.0266577 -0.315789 -0.312861 -0.272727 -0.199129 -0.545455 0 0.850535 10.9859 2.39661 10.2854 2.33072 -37.8947 -37.3991 0 198.705 T0306TS020_3-scwrl 95 -0.328632 1.62469 1.60468 1.60187 1.60884 1.42073 1.40097 1.40371 1.40625 58.7156 -0.186534 -0.138462 -0.16025 -0.155172 -0.284501 -0.204545 -0.245417 -0.230769 0 0.835954 8.97961 2.19496 8.34994 2.12225 -33.4211 -32.4403 0 200.147 T0306TS020_3 95 -0.328632 1.62469 1.60468 1.60187 1.60884 1.42073 1.40097 1.40371 1.40625 58.7156 -0.186534 -0.138462 -0.151535 -0.152542 -0.284501 -0.204545 -0.245417 -0.230769 0 0.835954 8.99645 2.19683 8.34994 2.12225 -33.4211 -32.4403 0 200.78 T0306TS435_2 95 -0.00915789 2.22811 2.24648 2.24011 2.23546 2.68195 2.66434 2.66262 2.66392 98.0692 -0.13034 -0.153846 -0.0779959 -0.181818 -0.198795 -0.227273 -0.210845 -0.322581 0 0.853717 10.0002 2.3026 9.32415 2.23261 -40.5263 -39.0131 0 201.978 T0306TS004_4-scwrl 95 -0.439368 1.27773 1.28754 1.28717 1.28336 1.11465 1.13914 1.13972 1.12925 46.096 -0.147538 -0.169231 -0.731228 -0.44 -0.221605 -0.227273 -0.843858 -0.625 0 0.905981 13.8651 2.62937 13.683 2.61615 -23.1579 -22.6742 0 212.299 T0306TS047_1 77 -0.208421 2.09578 2.08432 2.07942 2.08382 2.61821 2.65759 2.65826 2.6402 93.5459 -0.0761082 -0.0615385 -0.0185844 -0.137931 -0.11608 -0.0909091 -0.0305999 -0.181818 0 0.882253 6.17191 1.82001 5.30913 1.66943 -42.3684 -39.7198 139 217.043 T0306TS025_3-scwrl 95 0.256 2.68502 2.68434 2.68341 2.68255 3.60106 3.55657 3.5593 3.5693 126.388 -0.0990355 -0.0615385 -0.620365 -0.142857 -0.151049 -0.0909091 -0.683995 -0.222222 0 0.898621 11.2941 2.42428 10.4989 2.35127 -29.2105 -28.3131 0 219.917 T0306TS004_4 95 -0.439368 1.27773 1.28754 1.28717 1.28336 1.11465 1.13914 1.13972 1.12925 46.096 -0.145296 -0.153846 -0.491332 -0.4 -0.221605 -0.227273 -0.843858 -0.625 0 0.905981 13.8455 2.62796 13.683 2.61615 -23.1579 -22.6742 0 227.126 T0306TS033_3 95 -0.237158 1.41088 1.42995 1.42987 1.42267 1.62632 1.67282 1.67233 1.65407 60.4088 -0.159289 -0.184615 -0.342884 -0.324324 -0.242947 -0.272727 -0.568018 -0.444444 0 0.911362 12.6726 2.53945 12.3049 2.51 -26.8421 -25.94 0 227.834 T0306TS025_3 95 0.256 2.68502 2.68434 2.68341 2.68255 3.60106 3.55657 3.5593 3.5693 126.388 -0.0990355 -0.0615385 -0.489666 -0.108108 -0.151049 -0.0909091 -0.683995 -0.222222 0 0.898621 11.2288 2.41848 10.4989 2.35127 -29.2105 -28.3131 0 227.986 T0306TS047_1-scwrl 75 -0.207579 2.09578 2.08432 2.07942 2.08382 2.61821 2.65759 2.65826 2.6402 93.5501 -0.0391935 -0.0461538 -0.018107 -0.107143 -0.0597779 -0.0681818 -0.0298232 -0.142857 0 0.895724 6.19689 1.82405 5.3398 1.67519 -40.7895 -38.4179 148 230.099 T0306TS033_3-scwrl 95 -0.237158 1.41088 1.42995 1.42987 1.42267 1.62632 1.67282 1.67233 1.65407 60.4088 -0.159289 -0.184615 -0.314886 -0.27907 -0.242947 -0.272727 -0.568018 -0.444444 0 0.911362 12.7417 2.54488 12.3049 2.51 -26.8421 -25.94 0 231.687 T0306TS004_2-scwrl 95 -0.162632 1.43973 1.44826 1.44735 1.44416 1.60046 1.60038 1.59841 1.59775 60.0693 -0.125742 -0.107692 -0.498324 -0.233333 -0.171046 -0.113636 -0.604311 -0.227273 0 0.913835 12.4215 2.51943 11.761 2.46479 -26.0526 -25.6086 0 233.812 T0306TS038_3-scwrl 95 -0.514947 1.2838 1.29323 1.29325 1.28932 1.2834 1.28751 1.28631 1.28448 48.9317 -0.201265 -0.215385 -0.429318 -0.358974 -0.303269 -0.25 -0.518418 -0.392857 0 0.908202 14.9387 2.70395 14.2614 2.65755 -23.4211 -23.3838 0 234.308 T0306TS004_2 95 -0.162632 1.43973 1.44826 1.44735 1.44416 1.60046 1.60038 1.59841 1.59775 60.0693 -0.117234 -0.0923077 -0.475301 -0.214286 -0.171046 -0.113636 -0.604311 -0.227273 0 0.913835 12.3388 2.51274 11.761 2.46479 -26.0526 -25.6086 0 236.876 T0306TS139_2 95 0.035579 2.11087 2.12019 2.12148 2.11602 1.86156 1.87366 1.87294 1.86682 79.8956 -0.134071 -0.123077 -0.388064 -0.285714 -0.198742 -0.159091 -0.626432 -0.466667 0 0.913955 12.9848 2.56378 12.478 2.52397 -24.7368 -24.7888 0 237.661 T0306TS139_2-scwrl 95 0.035579 2.11087 2.12019 2.12148 2.11602 1.86156 1.87366 1.87294 1.86682 79.8956 -0.134071 -0.123077 -0.388064 -0.285714 -0.198742 -0.159091 -0.626432 -0.466667 0 0.913955 12.9848 2.56378 12.478 2.52397 -24.7368 -24.7888 0 237.661 T0306TS349_5 93 -0.0508421 2.56409 2.57767 2.57549 2.5704 3.08823 3.10814 3.11238 3.0982 113.219 -0.0970073 -0.107692 -0.0596183 -0.175 -0.147955 -0.159091 -0.144386 -0.241379 0 0.886676 9.87277 2.28978 9.42104 2.24295 -30.7895 -30.9952 19 237.887 T0306TS564_3-scwrl 95 -0.159158 1.75461 1.75915 1.76015 1.75715 1.74355 1.74384 1.74534 1.74268 69.2365 -0.182294 -0.2 -0.370578 -0.282609 -0.278029 -0.272727 -0.40606 -0.375 0 0.917813 13.1662 2.57765 12.8856 2.55611 -23.6842 -23.4953 0 238.192 T0306TS038_3 95 -0.514947 1.2838 1.29323 1.29325 1.28932 1.2834 1.28751 1.28631 1.28448 48.9317 -0.198843 -0.184615 -0.387223 -0.315789 -0.303269 -0.25 -0.518418 -0.392857 0 0.908202 14.9464 2.70447 14.2614 2.65755 -23.4211 -23.3838 0 240.25 T0306TS349_5-scwrl 92 -0.0513684 2.56409 2.57767 2.57549 2.5704 3.08823 3.10814 3.11238 3.0982 113.216 -0.0970073 -0.107692 -0.0586051 -0.159091 -0.147955 -0.159091 -0.144386 -0.241379 0 0.89188 9.72525 2.27473 9.32178 2.23235 -31.3158 -31.0257 30 240.573 T0306TS034_4 95 -0.239579 1.61133 1.61894 1.61948 1.61504 1.84013 1.85963 1.85946 1.85051 68.1747 -0.144338 -0.153846 -0.273763 -0.217391 -0.220144 -0.227273 -0.410784 -0.30303 0 0.912282 11.7999 2.46809 11.3345 2.42785 -24.7368 -24.3055 0 241.554 T0306TS034_4-scwrl 95 -0.239579 1.61133 1.61894 1.61948 1.61504 1.84013 1.85963 1.85946 1.85051 68.1747 -0.144338 -0.153846 -0.273763 -0.217391 -0.220144 -0.227273 -0.410784 -0.30303 0 0.912282 11.7999 2.46809 11.3345 2.42785 -24.7368 -24.3055 0 241.554 T0306TS025_4 95 0.000105262 2.15702 2.14595 2.14663 2.14799 2.29469 2.26296 2.26376 2.27239 88.4575 -0.0990355 -0.0615385 -0.52456 -0.153846 -0.151049 -0.0909091 -0.626927 -0.307692 0 0.921299 11.9661 2.48207 11.3634 2.4304 -23.6842 -24.1185 0 242.527 T0306TS025_4-scwrl 95 0.000105262 2.15702 2.14595 2.14663 2.14799 2.29469 2.26296 2.26376 2.27239 88.4575 -0.0990355 -0.0615385 -0.463457 -0.153846 -0.151049 -0.0909091 -0.626927 -0.307692 0 0.921299 12.0603 2.48992 11.3634 2.4304 -23.6842 -24.1185 0 245.857 T0306TS564_3 95 -0.159158 1.75461 1.75915 1.76015 1.75715 1.74355 1.74384 1.74534 1.74268 69.2365 -0.182294 -0.2 -0.245127 -0.236364 -0.278029 -0.272727 -0.40606 -0.375 0 0.917813 13.161 2.57726 12.8856 2.55611 -23.6842 -23.4953 0 246.763 T0306TS033_2 95 -0.294842 1.68062 1.6849 1.68489 1.68204 1.78624 1.79122 1.79149 1.78694 67.9675 -0.120793 -0.0769231 -0.507984 -0.16129 -0.184233 -0.113636 -0.559289 -0.208333 0 0.933615 12.372 2.51543 12.0631 2.49015 -23.6842 -23.6979 0 248.081 T0306TS024_5-scwrl 95 -0.100421 2.3155 2.29479 2.29584 2.30029 2.97438 2.97497 2.97227 2.97012 104.989 -0.0633018 -0.0153846 -0.121578 -0.037037 -0.0965479 -0.0227273 -0.23079 -0.0909091 0 0.89839 9.65682 2.26766 9.00044 2.19727 -30.2632 -29.217 0 249.209 T0306TS025_2-scwrl 95 0.00336842 2.38251 2.36278 2.36293 2.36734 2.84874 2.82278 2.82449 2.82778 104.014 -0.107543 -0.0769231 -0.498802 -0.192308 -0.151049 -0.0909091 -0.772292 -0.307692 0 0.898994 14.9423 2.70419 14.4338 2.66957 -23.4211 -23.7481 0 250.365 T0306TS024_5 95 -0.100421 2.3155 2.29479 2.29584 2.30029 2.97438 2.97497 2.97227 2.97012 104.989 -0.0633018 -0.0153846 -0.092507 -0.037037 -0.0965479 -0.0227273 -0.23079 -0.0909091 0 0.89839 9.63077 2.26496 9.00044 2.19727 -30.2632 -29.217 0 250.568 T0306TS125_2u 95 0.504947 2.91711 2.91605 2.91338 2.91326 3.20035 3.20711 3.19831 3.19747 124.84 -0 -0 -0 -0 -0 -0 -0 -0 0 0.900134 8.78845 2.17344 8.15252 2.09833 -34.4737 -33.2906 0 251.283 T0306TS125_2u-scwrl 95 0.504947 2.91711 2.91605 2.91338 2.91326 3.20035 3.20711 3.19831 3.19747 124.84 -0 -0 -0 -0 -0 -0 -0 -0 0 0.900134 8.78845 2.17344 8.15252 2.09833 -34.4737 -33.2906 0 251.283 T0306TS125_2 95 0.504947 2.91711 2.91605 2.91338 2.91326 3.20035 3.20711 3.19831 3.19747 124.84 -0 -0 -0 -0 -0 -0 -0 -0 0 0.900134 8.87029 2.18271 8.15252 2.09833 -34.4737 -33.2906 0 251.607 T0306TS063_2-scwrl 95 0.165684 2.78033 2.76609 2.76281 2.76804 3.19897 3.17008 3.17365 3.17725 119.815 -0.0990355 -0.0615385 -0.600603 -0.2 -0.151049 -0.0909091 -0.942246 -0.363636 0 0.919404 15.2458 2.7243 14.9358 2.70376 -22.3684 -21.8905 0 252.548 T0306TS671_5-scwrl 95 -0.0578947 2.30538 2.33014 2.32434 2.31751 2.44558 2.46941 2.46785 2.45905 95.3068 -0.00569201 -0.0461538 -0.229237 -0.0833333 -0.00868145 -0.0681818 -0.270265 -0.107143 0 0.933008 10.0766 2.31021 9.49551 2.25082 -29.7368 -29.9185 0 252.565 T0306TS671_5 95 -0.0578947 2.30538 2.33014 2.32434 2.31751 2.44558 2.46941 2.46785 2.45905 95.3068 -0.00569201 -0.0461538 -0.206769 -0.0789474 -0.00868145 -0.0681818 -0.270265 -0.107143 0 0.933008 10.0618 2.30875 9.49551 2.25082 -29.7368 -29.9185 0 253.856 T0306TS338_1 80 -0.243053 2.10317 2.08647 2.08692 2.09059 2.27829 2.27276 2.27027 2.27155 86.0848 -0.188095 -0.2 -0.384634 -0.282609 -0.286876 -0.272727 -0.553451 -0.375 0 0.902863 13.3879 2.59435 12.7125 2.54259 -24.2105 -23.3915 113 255.003 T0306TS033_2-scwrl 95 -0.294842 1.68062 1.6849 1.68489 1.68204 1.78624 1.79122 1.79149 1.78694 67.9675 -0.120793 -0.0769231 -0.391915 -0.142857 -0.184233 -0.113636 -0.559289 -0.208333 0 0.933615 12.5041 2.52605 12.0631 2.49015 -23.6842 -23.6979 0 255.178 T0306TS710_1-scwrl 95 -0.008 2.67436 2.6598 2.66001 2.66342 2.51897 2.49946 2.50065 2.50217 103.354 -0.100865 -0.0769231 -0.43821 -0.217391 -0.15384 -0.113636 -0.660011 -0.384615 0 0.913516 15.0165 2.70915 14.482 2.6729 -23.4211 -23.6622 0 255.837 T0306TS091_1 94 0.543263 2.68713 2.67922 2.67886 2.67992 2.31825 2.33997 2.33706 2.32697 102.953 -0.000728254 -0.0153846 -0.000995184 -0.025641 -0.00111073 -0.0227273 -0.00168999 -0.0357143 0 0.929773 9.21312 2.22063 8.67637 2.1606 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T0306TS420_2 93 0.517789 3.56022 3.5592 3.55337 3.55483 2.81211 2.79423 2.79178 2.79541 129.695 -0.0904616 -0.0461538 -0.00033648 -0.0769231 -0.137966 -0.0454545 -0.000255119 -0.333333 0 0.937651 12.2732 2.50742 11.7966 2.46782 -21.5789 -21.9933 19 293.688 T0306TS420_3 93 0.517789 3.56022 3.5592 3.55337 3.55483 2.81211 2.79423 2.79178 2.79541 129.695 -0.0904616 -0.0461538 -0.000335146 -0.0769231 -0.137966 -0.0454545 -0.000256764 -0.333333 0 0.937656 12.2732 2.50742 11.7967 2.46782 -21.5789 -21.9834 19 293.699 T0306TS443_3 95 0.330632 3.16682 3.16491 3.15798 3.16049 4.73739 4.73755 4.73742 4.73325 159.632 -0.0271558 -0.0153846 -0.00685895 -0.0149254 -0.041418 -0.0227273 -0.00801399 -0.0204082 0 0.917538 11.2666 2.42184 10.3785 2.33973 -20.2632 -20.2904 0 293.769 T0306TS443_3-scwrl 95 0.330632 3.16682 3.16491 3.15798 3.16049 4.73739 4.73755 4.73742 4.73325 159.632 -0.0271558 -0.0153846 -0.00685895 -0.0149254 -0.041418 -0.0227273 -0.00801399 -0.0204082 0 0.917538 11.2666 2.42184 10.3785 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