# cost function cost = # ( 5 * near_backbone(9.65) + 5 * pred_nb11_2k_simple(9.65) + 5 * pred_nb11_2k(9.65) + 5 * pred_nb11_04_simple(9.65) + 5 * pred_nb11_04(9.65) + 5 * pred_nb11_06_simple(9.65) + 5 * pred_nb11_06(9.65) + 5 * cb14(14) + 5 * pred_cb14_2k_simple(14) + 5 * pred_cb14_2k(14) + 5 * pred_cb14_04_simple(14) + 5 * pred_cb14_04(14) + 5 * pred_cb14_06_simple(14) + 5 * pred_cb14_06(14) + 3 * pred_alpha2k + 4 * pred_alpha04 + 5 * pred_alpha06 + 5 * CB8-sep9(8) + 5 * pred_CB8-sep9_06(8) + 5 * pred_CB8-sep9_06_simple(8) ) # 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 near_backbone pred_nb11_2k_simple pred_nb11_2k pred_nb11_04_simple pred_nb11_04 pred_nb11_06_simple pred_nb11_06 cb14 pred_cb14_2k_simple pred_cb14_2k pred_cb14_04_simple pred_cb14_04 pred_cb14_06_simple pred_cb14_06 pred_alpha2k pred_alpha04 pred_alpha06 CB8-sep9 pred_CB8-sep9_06 pred_CB8-sep9_06_simple 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 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 2gu2A 307 1.6592 2.0372 3.0848 2.0836 3.1312 2.0674 3.1149 1.3325 1.5012 3.6306 1.5309 3.6603 1.5794 3.7088 0.9194 0.8768 0.8338 1.2754 2.1883 2.1832 209.2791 -1.0000 -1.0000 -1.0000 -1.0000 -1.0000 -1.0000 -1.0000 -1.0000 1.0000 0.0000 0.0000 -7.0000 0.0000 -7.0000 -100.0000 -100.0000 49.0000 -875.2000 T0289TS024_5-scwrl 307 1.6669 2.1145 3.1381 2.1068 3.1303 2.1205 3.1440 1.3470 1.4970 3.6199 1.5429 3.6658 1.5744 3.6973 1.0585 1.1364 1.0822 1.2487 2.1653 2.1653 212.8557 -0.2846 -0.2336 -0.8090 -0.5035 -0.4636 -0.3832 -0.8887 -0.6809 0.0000 0.6985 7.0343 1.9508 6.4966 1.8713 -47.2313 -44.2579 0.0000 56.9343 T0289TS024_1-scwrl 307 1.6689 2.1217 3.1433 2.1164 3.1381 2.1128 3.1344 1.3318 1.5033 3.6137 1.5535 3.6640 1.5921 3.7025 1.0057 1.0907 1.0474 1.2618 2.1855 2.1845 212.7584 -0.3131 -0.2500 -0.7780 -0.5205 -0.5214 -0.4192 -0.8701 -0.6604 0.0000 0.7072 7.1483 1.9669 6.6426 1.8935 -47.5570 -44.7135 0.0000 57.0158 T0289TS024_5 307 1.6669 2.1145 3.1381 2.1068 3.1303 2.1205 3.1440 1.3494 1.5150 3.6323 1.5611 3.6784 1.5890 3.7063 1.0585 1.1364 1.0822 1.2503 2.1466 2.1456 213.1076 -0.2822 -0.2500 -0.7646 -0.4810 -0.4636 -0.3832 -0.8887 -0.6809 0.0000 0.6985 7.0456 1.9524 6.4966 1.8713 -47.2313 -44.2579 0.0000 59.6328 T0289TS024_1 307 1.6689 2.1217 3.1433 2.1164 3.1381 2.1128 3.1344 1.3284 1.5177 3.6255 1.5578 3.6656 1.5995 3.7072 1.0057 1.0907 1.0474 1.2661 2.1845 2.1835 212.9738 -0.3089 -0.2599 -0.7471 -0.4620 -0.5214 -0.4192 -0.8701 -0.6604 0.0000 0.7072 7.0945 1.9593 6.6426 1.8935 -47.5570 -44.7135 0.0000 60.9472 T0289TS024_3-scwrl 307 1.6378 2.0816 3.0808 2.0876 3.0868 2.1051 3.1043 1.3415 1.4429 3.5842 1.5013 3.6425 1.5296 3.6709 1.1172 1.2083 1.1611 1.2658 2.1430 2.1420 211.2303 -0.3072 -0.2401 -0.7856 -0.4867 -0.5029 -0.4012 -0.8668 -0.6768 0.0000 0.7471 6.8750 1.9279 6.2045 1.8253 -49.1042 -45.9756 0.0000 61.1116 T0289TS024_2-scwrl 307 1.6556 2.0985 3.1312 2.0941 3.1268 2.1001 3.1329 1.2842 1.4712 3.5646 1.4829 3.5763 1.5155 3.6090 1.1267 1.1965 1.1597 1.2794 2.1858 2.1858 211.4333 -0.3335 -0.2664 -0.7674 -0.5294 -0.5225 -0.4311 -0.8848 -0.7059 0.0000 0.7321 7.5065 2.0158 6.9711 1.9418 -46.9055 -44.5219 0.0000 63.5143 T0289TS024_2 307 1.6556 2.0985 3.1312 2.0941 3.1268 2.1001 3.1329 1.2824 1.4792 3.5646 1.5043 3.5898 1.5399 3.6254 1.1267 1.1965 1.1597 1.2712 2.1628 2.1628 211.5727 -0.3196 -0.2697 -0.7659 -0.4910 -0.5225 -0.4311 -0.8848 -0.7059 0.0000 0.7321 7.4670 2.0105 6.9711 1.9418 -46.9055 -44.5219 0.0000 65.8578 T0289TS024_3 307 1.6378 2.0816 3.0808 2.0876 3.0868 2.1051 3.1043 1.3402 1.4457 3.5814 1.5051 3.6408 1.5369 3.6726 1.1172 1.2083 1.1611 1.2584 2.1383 2.1383 211.1988 -0.3087 -0.2566 -0.6967 -0.4509 -0.5029 -0.4012 -0.8668 -0.6768 0.0000 0.7471 6.8027 1.9173 6.2045 1.8253 -49.1042 -45.9756 0.0000 66.0789 T0289TS024_4-scwrl 307 1.7032 2.1246 3.1643 2.1195 3.1592 2.1270 3.1667 1.3388 1.4849 3.5985 1.5305 3.6442 1.5825 3.6961 1.0593 1.1771 1.1579 1.2654 2.2079 2.2069 214.2771 -0.2808 -0.2336 -0.7111 -0.5000 -0.4968 -0.4072 -0.8238 -0.6800 0.0000 0.7190 7.3157 1.9900 6.8061 1.9178 -46.9055 -44.3474 0.0000 69.3848 T0289TS248_2-scwrl 307 1.7110 2.1468 3.1844 2.1496 3.1871 2.1601 3.1977 1.3580 1.5391 3.6501 1.5795 3.6905 1.6040 3.7150 1.3892 1.4820 1.4587 1.3209 2.2452 2.2433 220.8014 -0.3136 -0.2829 -0.6004 -0.5181 -0.4995 -0.4551 -0.6781 -0.6847 0.0000 0.7380 7.1343 1.9649 6.4760 1.8681 -46.4169 -44.5113 0.0000 72.5681 T0289TS025_1-scwrl 307 1.7167 2.1417 3.1790 2.1406 3.1779 2.1585 3.1958 1.3796 1.5237 3.6634 1.6170 3.7568 1.6605 3.8002 1.2397 1.3531 1.3495 1.3192 2.2666 2.2666 220.6992 -0.2900 -0.2401 -0.6852 -0.5069 -0.4939 -0.4072 -0.8315 -0.6939 0.0000 0.7395 7.4424 2.0072 6.9177 1.9341 -45.6840 -43.3258 0.0000 76.7870 T0289TS050_1-scwrl 307 1.7167 2.1417 3.1790 2.1406 3.1779 2.1585 3.1958 1.3796 1.5237 3.6634 1.6170 3.7568 1.6605 3.8002 1.2397 1.3531 1.3495 1.3192 2.2666 2.2666 220.6992 -0.2900 -0.2401 -0.6852 -0.5069 -0.4939 -0.4072 -0.8315 -0.6939 0.0000 0.7395 7.4424 2.0072 6.9177 1.9341 -45.6840 -43.3258 0.0000 76.7870 T0289TS025_3-scwrl 307 1.7141 2.1847 3.2068 2.1862 3.2083 2.2134 3.2355 1.3961 1.5433 3.6776 1.6121 3.7464 1.6564 3.7907 1.2030 1.3704 1.3294 1.2959 2.2642 2.2642 221.7165 -0.3049 -0.2434 -0.7778 -0.5000 -0.4926 -0.4012 -0.8947 -0.7204 0.0000 0.7524 7.6184 2.0306 7.0838 1.9578 -44.4625 -42.3264 0.0000 77.0943 T0289TS024_4 307 1.7032 2.1246 3.1643 2.1195 3.1592 2.1270 3.1667 1.3398 1.4868 3.5931 1.5212 3.6276 1.5715 3.6778 1.0593 1.1771 1.1579 1.2648 2.1893 2.1893 213.8042 -0.2787 -0.2336 -0.6243 -0.4201 -0.4968 -0.4072 -0.8238 -0.6800 0.0000 0.7190 7.2948 1.9872 6.8061 1.9178 -46.9055 -44.3474 0.0000 77.7239 T0289TS248_2 307 1.7110 2.1468 3.1844 2.1496 3.1871 2.1601 3.1977 1.3561 1.5585 3.6654 1.6001 3.7070 1.6285 3.7354 1.3892 1.4820 1.4587 1.3193 2.2498 2.2478 221.4135 -0.3131 -0.2895 -0.5150 -0.4835 -0.4995 -0.4551 -0.6781 -0.6847 0.0000 0.7380 7.1154 1.9623 6.4760 1.8681 -46.4169 -44.5113 0.0000 78.1664 T0289TS025_1 307 1.7167 2.1417 3.1790 2.1406 3.1779 2.1585 3.1958 1.3747 1.5306 3.6681 1.6187 3.7562 1.6603 3.7978 1.2397 1.3531 1.3495 1.3144 2.2628 2.2618 220.6572 -0.2906 -0.2434 -0.7067 -0.4458 -0.4939 -0.4072 -0.8315 -0.6939 0.0000 0.7395 7.4331 2.0059 6.9177 1.9341 -45.6840 -43.3258 0.0000 78.5295 T0289TS050_1 307 1.7167 2.1417 3.1790 2.1406 3.1779 2.1585 3.1958 1.3747 1.5306 3.6681 1.6187 3.7562 1.6603 3.7978 1.2397 1.3531 1.3495 1.3144 2.2628 2.2618 220.6572 -0.2906 -0.2434 -0.7067 -0.4458 -0.4939 -0.4072 -0.8315 -0.6939 0.0000 0.7395 7.4331 2.0059 6.9177 1.9341 -45.6840 -43.3258 0.0000 78.5295 T0289TS664_3 307 1.6954 2.1650 3.1824 2.1622 3.1796 2.1948 3.2122 1.3959 1.5327 3.6741 1.5900 3.7315 1.6381 3.7796 1.1240 1.2729 1.2239 1.3160 2.2494 2.2484 219.3192 -0.2987 -0.2434 -0.7068 -0.5211 -0.4904 -0.3892 -0.9252 -0.7303 0.0000 0.7469 7.5611 2.0230 7.1098 1.9615 -44.4625 -42.1245 0.0000 78.5904 T0289TS675_1 307 1.6954 2.1650 3.1824 2.1622 3.1796 2.1948 3.2122 1.3959 1.5327 3.6741 1.5900 3.7315 1.6381 3.7796 1.1240 1.2729 1.2239 1.3160 2.2494 2.2484 219.3192 -0.2987 -0.2434 -0.7068 -0.5211 -0.4904 -0.3892 -0.9252 -0.7303 0.0000 0.7469 7.5611 2.0230 7.1098 1.9615 -44.4625 -42.1245 0.0000 78.5904 T0289TS025_3 307 1.7141 2.1847 3.2068 2.1862 3.2083 2.2134 3.2355 1.3996 1.5467 3.6780 1.6193 3.7507 1.6666 3.7979 1.2030 1.3704 1.3294 1.3177 2.2769 2.2760 222.1295 -0.2937 -0.2500 -0.7441 -0.4720 -0.4926 -0.4012 -0.8947 -0.7204 0.0000 0.7524 7.5164 2.0171 7.0838 1.9578 -44.4625 -42.3264 0.0000 79.9371 T0289TS435_1-scwrl 307 1.7074 2.1617 3.1890 2.1676 3.1949 2.1823 3.2095 1.3924 1.5368 3.7001 1.5744 3.7377 1.6047 3.7680 1.4115 1.5279 1.5052 1.2707 2.2288 2.2278 222.1416 -0.2730 -0.2566 -0.5743 -0.4561 -0.4809 -0.4491 -0.6553 -0.5906 0.0000 0.7393 7.0212 1.9489 6.2307 1.8295 -46.4984 -44.3065 0.0000 80.3975 T0289TS664_5-scwrl 307 1.7133 2.1488 3.1801 2.1458 3.1771 2.1560 3.1872 1.3837 1.5179 3.6648 1.5829 3.7297 1.6190 3.7658 1.1237 1.2187 1.2286 1.2956 2.2697 2.2697 218.4241 -0.3125 -0.2566 -0.5597 -0.5493 -0.5212 -0.4192 -0.8352 -0.7692 0.0000 0.7471 7.4916 2.0138 6.9683 1.9414 -45.2769 -42.9243 0.0000 80.5928 T0289TS671_2-scwrl 307 1.7133 2.1488 3.1801 2.1458 3.1771 2.1560 3.1872 1.3837 1.5179 3.6648 1.5829 3.7297 1.6190 3.7658 1.1237 1.2187 1.2286 1.2956 2.2697 2.2697 218.4241 -0.3125 -0.2566 -0.5597 -0.5493 -0.5212 -0.4192 -0.8352 -0.7692 0.0000 0.7471 7.4916 2.0138 6.9683 1.9414 -45.2769 -42.9243 0.0000 80.5928 T0289TS664_3-scwrl 307 1.6954 2.1650 3.1824 2.1622 3.1796 2.1948 3.2122 1.3914 1.5284 3.6616 1.6001 3.7333 1.6466 3.7798 1.1240 1.2729 1.2239 1.3139 2.2762 2.2752 219.5735 -0.3034 -0.2434 -0.6553 -0.5034 -0.4904 -0.3892 -0.9252 -0.7303 0.0000 0.7469 7.6672 2.0369 7.1098 1.9615 -44.4625 -42.1245 0.0000 82.3034 T0289TS675_1-scwrl 307 1.6954 2.1650 3.1824 2.1622 3.1796 2.1948 3.2122 1.3914 1.5284 3.6616 1.6001 3.7333 1.6466 3.7798 1.1240 1.2729 1.2239 1.3139 2.2762 2.2752 219.5735 -0.3034 -0.2434 -0.6553 -0.5034 -0.4904 -0.3892 -0.9252 -0.7303 0.0000 0.7469 7.6672 2.0369 7.1098 1.9615 -44.4625 -42.1245 0.0000 82.3034 T0289TS664_5 307 1.7133 2.1488 3.1801 2.1458 3.1771 2.1560 3.1872 1.3790 1.5029 3.6386 1.5756 3.7114 1.6213 3.7571 1.1237 1.2187 1.2286 1.2845 2.2431 2.2431 217.7132 -0.3091 -0.2533 -0.5813 -0.4724 -0.5212 -0.4192 -0.8352 -0.7692 0.0000 0.7471 7.4749 2.0116 6.9683 1.9414 -45.2769 -42.9243 0.0000 83.6120 T0289TS671_2 307 1.7133 2.1488 3.1801 2.1458 3.1771 2.1560 3.1872 1.3790 1.5029 3.6386 1.5756 3.7114 1.6213 3.7571 1.1237 1.2187 1.2286 1.2845 2.2431 2.2431 217.7132 -0.3091 -0.2533 -0.5813 -0.4724 -0.5212 -0.4192 -0.8352 -0.7692 0.0000 0.7471 7.4749 2.0116 6.9683 1.9414 -45.2769 -42.9243 0.0000 83.6120 T0289TS435_1 307 1.7074 2.1617 3.1890 2.1676 3.1949 2.1823 3.2095 1.3908 1.5401 3.6993 1.5710 3.7303 1.6023 3.7616 1.4115 1.5279 1.5052 1.2746 2.2397 2.2377 222.1711 -0.3057 -0.2928 -0.4819 -0.4027 -0.4809 -0.4491 -0.6553 -0.5906 0.0000 0.7393 6.9692 1.9415 6.2307 1.8295 -46.4984 -44.3065 0.0000 83.9858 T0289TS025_4-scwrl 307 1.7503 2.2148 3.2582 2.1982 3.2416 2.2177 3.2612 1.3752 1.5620 3.6837 1.6052 3.7269 1.6582 3.7799 1.2316 1.3955 1.3932 1.3088 2.3021 2.2970 223.4477 -0.2903 -0.2303 -0.7498 -0.4930 -0.4601 -0.3772 -0.8443 -0.7079 0.0000 0.7693 7.9035 2.0673 7.2948 1.9872 -44.0554 -41.9807 0.0000 87.7373 T0289TS050_4-scwrl 307 1.7503 2.2148 3.2582 2.1982 3.2416 2.2177 3.2612 1.3752 1.5620 3.6837 1.6052 3.7269 1.6582 3.7799 1.2316 1.3955 1.3932 1.3088 2.3021 2.2970 223.4477 -0.2903 -0.2303 -0.7498 -0.4930 -0.4601 -0.3772 -0.8443 -0.7079 0.0000 0.7693 7.9035 2.0673 7.2948 1.9872 -44.0554 -41.9807 0.0000 87.7373 T0289TS113_3 307 1.7091 2.1560 3.1852 2.1591 3.1883 2.1370 3.1662 1.3929 1.5518 3.6766 1.5910 3.7158 1.6298 3.7546 1.3605 1.5392 1.4847 1.2875 2.2344 2.2334 221.5047 -0.3024 -0.2928 -0.6160 -0.5057 -0.5010 -0.4850 -0.7813 -0.6532 1.0000 0.7474 7.5058 2.0157 6.9371 1.9369 -45.7655 -43.5431 0.0000 88.7835 T0289TS135_1-scwrl 307 1.7566 2.2078 3.2286 2.2605 3.2813 2.2406 3.2614 1.5125 1.5771 3.7888 1.6643 3.8760 1.6564 3.8681 1.3368 1.4640 1.4021 1.3086 2.2513 2.2492 226.8217 -0.3001 -0.2599 -0.5872 -0.4788 -0.4943 -0.4251 -0.7664 -0.6455 0.0000 0.7599 7.5351 2.0196 6.9378 1.9370 -44.7883 -42.4690 0.0000 88.9011 T0289TS267_2 307 1.7111 2.1859 3.2046 2.1825 3.2012 2.1675 3.1862 1.3928 1.5195 3.6597 1.5559 3.6961 1.5826 3.7228 1.3702 1.5779 1.5211 1.3368 2.2670 2.2660 222.2188 -0.3323 -0.3059 -0.6418 -0.4973 -0.4942 -0.4491 -0.8487 -0.6818 1.0000 0.7466 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