# 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 2hagA 307 1.6327 1.8988 2.9302 1.8963 2.9276 1.9069 2.9383 1.3490 1.4022 3.5532 1.2997 3.4507 1.3138 3.4647 0.9458 1.1020 1.1064 1.2866 2.0976 2.0853 199.9456 -1.0000 -1.0000 -1.0000 -1.0000 -1.0000 -1.0000 -1.0000 -1.0000 0.0000 0.0000 0.0000 -7.0000 0.0000 -7.0000 -100.0000 -100.0000 60.0000 -883.0000 T0328TS556_4-scwrl 307 1.6909 1.9767 3.0017 1.9690 2.9939 1.9846 3.0095 1.3503 1.5131 3.6644 1.4233 3.5747 1.4366 3.5879 0.9166 1.1579 1.1437 1.3440 2.1701 2.1569 207.3374 -0.5603 -0.5544 -0.8553 -0.7215 -0.8765 -0.8408 -0.9437 -0.8627 0.0000 0.3236 2.5687 0.9434 1.8784 0.6304 -83.7948 -79.2872 0.0000 -216.2540 T0328TS556_4 307 1.6909 1.9767 3.0017 1.9690 2.9939 1.9846 3.0095 1.3503 1.5131 3.6644 1.4233 3.5747 1.4366 3.5879 0.9166 1.1579 1.1437 1.3440 2.1701 2.1569 207.3374 -0.5812 -0.5649 -0.8293 -0.7031 -0.8765 -0.8408 -0.9437 -0.8627 0.0000 0.3236 2.5310 0.9286 1.8784 0.6304 -83.7948 -79.2872 0.0000 -216.1189 T0328TS556_2 307 1.6733 1.9886 2.9860 1.9789 2.9764 1.9971 2.9946 1.3530 1.5189 3.6806 1.4160 3.5777 1.4288 3.5905 0.9101 1.1418 1.1181 1.3539 2.1814 2.1691 207.2119 -0.5847 -0.5789 -0.8590 -0.7333 -0.8712 -0.8471 -0.9335 -0.8581 0.0000 0.3234 2.6227 0.9642 2.0730 0.7290 -83.3876 -79.1813 0.0000 -215.1782 T0328TS556_5-scwrl 307 1.6903 1.9808 2.9930 1.9663 2.9785 1.9830 2.9952 1.3535 1.5218 3.6750 1.4227 3.5759 1.4360 3.5892 0.8915 1.1369 1.1176 1.3728 2.2026 2.1856 207.4222 -0.5620 -0.5544 -0.8361 -0.7022 -0.8768 -0.8471 -0.9268 -0.8581 0.0000 0.3227 2.5929 0.9528 1.8840 0.6334 -83.8762 -79.4243 0.0000 -214.2426 T0328TS556_5 307 1.6903 1.9808 2.9930 1.9663 2.9785 1.9830 2.9952 1.3535 1.5218 3.6750 1.4227 3.5759 1.4360 3.5892 0.8915 1.1369 1.1176 1.3728 2.2026 2.1856 207.4222 -0.5765 -0.5649 -0.8156 -0.6680 -0.8768 -0.8471 -0.9268 -0.8581 0.0000 0.3227 2.5127 0.9214 1.8840 0.6334 -83.8762 -79.4243 0.0000 -213.8625 T0328TS556_1 307 1.6794 1.9718 2.9870 1.9670 2.9822 1.9841 2.9992 1.3555 1.5277 3.6810 1.4191 3.5724 1.4300 3.5833 0.8936 1.1261 1.0985 1.3512 2.1753 2.1611 206.8158 -0.5924 -0.5789 -0.8214 -0.7174 -0.8715 -0.8471 -0.9265 -0.8526 0.0000 0.3227 2.6308 0.9673 2.0818 0.7332 -83.3062 -79.3227 0.0000 -212.7220 T0328TS556_3 307 1.6857 1.9737 2.9905 1.9643 2.9810 1.9773 2.9940 1.3537 1.5309 3.6815 1.4346 3.5853 1.4456 3.5963 0.8822 1.1299 1.1073 1.3585 2.1895 2.1784 207.3079 -0.5477 -0.5579 -0.8067 -0.7035 -0.8714 -0.8471 -0.9299 -0.8636 0.0000 0.3235 2.5220 0.9250 1.8785 0.6305 -83.3062 -78.8645 0.0000 -212.0953 T0328TS556_3-scwrl 307 1.6857 1.9737 2.9905 1.9643 2.9810 1.9773 2.9940 1.3537 1.5309 3.6815 1.4346 3.5853 1.4456 3.5963 0.8822 1.1299 1.1073 1.3585 2.1895 2.1784 207.3079 -0.5395 -0.5404 -0.8257 -0.7064 -0.8714 -0.8471 -0.9299 -0.8636 0.0000 0.3235 2.5767 0.9465 1.8785 0.6305 -83.3062 -78.8645 0.0000 -211.1504 T0328TS556_2-scwrl 307 1.6733 1.9886 2.9860 1.9789 2.9764 1.9971 2.9946 1.3530 1.5189 3.6806 1.4160 3.5777 1.4288 3.5905 0.9101 1.1418 1.1181 1.3539 2.1814 2.1691 207.2119 -0.5429 -0.5439 -0.8543 -0.7078 -0.8712 -0.8471 -0.9335 -0.8581 0.0000 0.3234 2.7041 0.9948 2.0730 0.7290 -83.3876 -79.1813 0.0000 -208.7532 T0328TS556_1-scwrl 307 1.6794 1.9718 2.9870 1.9670 2.9822 1.9841 2.9992 1.3555 1.5277 3.6810 1.4191 3.5724 1.4300 3.5833 0.8936 1.1261 1.0985 1.3512 2.1753 2.1611 206.8158 -0.5500 -0.5439 -0.8330 -0.7143 -0.8715 -0.8471 -0.9265 -0.8526 0.0000 0.3227 2.7248 1.0024 2.0818 0.7332 -83.3062 -79.3227 0.0000 -208.0384 T0328TS105_2 307 1.6404 1.9419 2.9365 1.9252 2.9197 1.9416 2.9361 1.3822 1.4485 3.6408 1.3579 3.5502 1.3765 3.5688 0.8730 1.1047 1.0851 1.2955 2.1240 2.1128 202.9567 -0.6069 -0.5649 -0.8187 -0.6880 -0.9086 -0.8471 -0.9320 -0.8636 0.0000 0.3665 2.6098 0.9593 1.9152 0.6498 -82.9805 -78.5742 0.0000 -204.6197 T0328TS026_3-scwrl 307 1.6369 1.9158 2.9157 1.9035 2.9034 1.9196 2.9195 1.3993 1.4111 3.6261 1.3210 3.5360 1.3379 3.5529 0.9280 1.1538 1.1319 1.2870 2.1097 2.1013 202.0433 -0.5636 -0.5579 -0.7923 -0.6709 -0.9357 -0.8662 -0.8724 -0.8193 0.0000 0.3619 2.4829 0.9094 1.8160 0.5966 -83.4691 -78.8190 0.0000 -204.3466 T0328TS212_1 307 1.6677 1.9712 2.9927 1.9618 2.9833 1.9755 2.9970 1.3564 1.4828 3.6411 1.3927 3.5509 1.4123 3.5706 0.9058 1.1716 1.1531 1.3262 2.1612 2.1508 206.1394 -0.5898 -0.5754 -0.8535 -0.6534 -0.8859 -0.8471 -0.9327 -0.8636 0.0000 0.3622 2.6572 0.9773 1.9366 0.6609 -82.6547 -78.4027 0.0000 -203.4908 T0328TS213_1 307 1.6677 1.9712 2.9927 1.9618 2.9833 1.9755 2.9970 1.3564 1.4828 3.6411 1.3927 3.5509 1.4123 3.5706 0.9058 1.1716 1.1531 1.3262 2.1612 2.1508 206.1394 -0.5898 -0.5754 -0.8535 -0.6534 -0.8859 -0.8471 -0.9327 -0.8636 0.0000 0.3622 2.6572 0.9773 1.9366 0.6609 -82.6547 -78.4027 0.0000 -203.4908 T0328TS418_1 307 1.6677 1.9712 2.9927 1.9618 2.9833 1.9755 2.9970 1.3564 1.4828 3.6411 1.3927 3.5509 1.4123 3.5706 0.9058 1.1716 1.1531 1.3262 2.1612 2.1508 206.1394 -0.5898 -0.5754 -0.8535 -0.6534 -0.8859 -0.8471 -0.9327 -0.8636 0.0000 0.3622 2.6572 0.9773 1.9366 0.6609 -82.6547 -78.4027 0.0000 -203.4908 T0328TS609_1-scwrl 307 1.6353 1.9195 2.9254 1.9054 2.9114 1.9153 2.9213 1.3949 1.4440 3.6414 1.3333 3.5307 1.3494 3.5467 0.8438 1.0620 1.0416 1.3013 2.1319 2.1150 201.5987 -0.5368 -0.5193 -0.8558 -0.7115 -0.8724 -0.8089 -0.9509 -0.8639 0.0000 0.3616 2.6393 0.9705 1.8807 0.6316 -83.0619 -78.6566 0.0000 -202.6181 T0328TS026_3 307 1.6369 1.9158 2.9157 1.9035 2.9034 1.9196 2.9195 1.3954 1.4155 3.6251 1.3209 3.5305 1.3378 3.5474 0.9280 1.1538 1.1319 1.2891 2.1147 2.1085 202.0570 -0.5851 -0.5614 -0.7419 -0.6426 -0.9357 -0.8662 -0.8724 -0.8193 0.0000 0.3619 2.4543 0.8979 1.8160 0.5966 -83.4691 -78.8190 0.0000 -202.0706 T0328TS038_2-scwrl 307 1.6612 1.9439 2.9674 1.9170 2.9404 1.9308 2.9542 1.3681 1.4746 3.6602 1.3689 3.5546 1.3855 3.5712 0.8422 1.0426 1.0228 1.3429 2.1816 2.1646 203.7475 -0.5287 -0.5368 -0.8387 -0.7251 -0.8992 -0.8535 -0.9349 -0.8701 0.0000 0.3651 2.6390 0.9704 1.9073 0.6457 -82.8990 -78.4099 0.0000 -201.9965 T0328TS105_1 307 1.6367 1.9235 2.9386 1.9214 2.9365 1.9351 2.9501 1.3483 1.4461 3.6103 1.3441 3.5083 1.3633 3.5275 0.8675 1.1008 1.0783 1.3020 2.1494 2.1391 202.2986 -0.5840 -0.5684 -0.8388 -0.6750 -0.8992 -0.8471 -0.9330 -0.8636 0.0000 0.3738 2.6257 0.9653 1.9659 0.6760 -82.8990 -78.6370 0.0000 -201.4543 T0328TS105_3 307 1.6550 1.9597 2.9781 1.9534 2.9718 1.9616 2.9799 1.4047 1.4147 3.6357 1.3289 3.5500 1.3484 3.5694 0.8513 1.0921 1.0700 1.2902 2.1288 2.1177 203.5114 -0.6073 -0.5719 -0.8090 -0.6878 -0.9196 -0.8408 -0.9291 -0.8684 0.0000 0.3764 2.7179 0.9999 1.9624 0.6742 -83.4691 -78.9213 0.0000 -201.2663 T0328TS105_2-scwrl 307 1.6404 1.9419 2.9365 1.9252 2.9197 1.9416 2.9361 1.3854 1.4488 3.6422 1.3583 3.5517 1.3764 3.5698 0.8730 1.1047 1.0851 1.2995 2.1328 2.1177 203.0827 -0.5681 -0.5368 -0.8329 -0.6830 -0.9086 -0.8471 -0.9320 -0.8636 0.0000 0.3665 2.6481 0.9738 1.9152 0.6498 -82.9805 -78.5742 0.0000 -201.2259 T0328TS212_1-scwrl 307 1.6677 1.9712 2.9927 1.9618 2.9833 1.9755 2.9970 1.3575 1.4799 3.6390 1.3893 3.5484 1.4087 3.5679 0.9058 1.1716 1.1531 1.3398 2.1710 2.1572 206.2081 -0.5582 -0.5404 -0.8264 -0.6754 -0.8859 -0.8471 -0.9327 -0.8636 0.0000 0.3622 2.6840 0.9873 1.9366 0.6609 -82.6547 -78.4027 0.0000 -199.5519 T0328TS213_1-scwrl 307 1.6677 1.9712 2.9927 1.9618 2.9833 1.9755 2.9970 1.3575 1.4799 3.6390 1.3893 3.5484 1.4087 3.5679 0.9058 1.1716 1.1531 1.3398 2.1710 2.1572 206.2081 -0.5582 -0.5404 -0.8264 -0.6754 -0.8859 -0.8471 -0.9327 -0.8636 0.0000 0.3622 2.6840 0.9873 1.9366 0.6609 -82.6547 -78.4027 0.0000 -199.5519 T0328TS418_1-scwrl 307 1.6677 1.9712 2.9927 1.9618 2.9833 1.9755 2.9970 1.3575 1.4799 3.6390 1.3893 3.5484 1.4087 3.5679 0.9058 1.1716 1.1531 1.3398 2.1710 2.1572 206.2081 -0.5582 -0.5404 -0.8264 -0.6754 -0.8859 -0.8471 -0.9327 -0.8636 0.0000 0.3622 2.6840 0.9873 1.9366 0.6609 -82.6547 -78.4027 0.0000 -199.5519 T0328TS038_2 307 1.6612 1.9439 2.9674 1.9170 2.9404 1.9308 2.9542 1.3719 1.4663 3.6565 1.3641 3.5543 1.3817 3.5719 0.8422 1.0426 1.0228 1.3317 2.1691 2.1566 203.5060 -0.5492 -0.5509 -0.8082 -0.6569 -0.8992 -0.8535 -0.9349 -0.8701 0.0000 0.3651 2.6251 0.9651 1.9073 0.6457 -82.8990 -78.4099 0.0000 -198.9760 T0328TS105_4-scwrl 307 1.6419 1.9136 2.9241 1.8965 2.9069 1.9131 2.9236 1.3880 1.4486 3.6451 1.3469 3.5434 1.3680 3.5645 0.8299 1.0554 1.0369 1.3128 2.1417 2.1261 201.9188 -0.5283 -0.5123 -0.8648 -0.6759 -0.8803 -0.8344 -0.9554 -0.8675 0.0000 0.3648 2.6942 0.9911 1.9339 0.6595 -83.3062 -78.6451 0.0000 -198.9555 T0328TS276_1-scwrl 307 1.6501 1.9449 2.9297 1.9405 2.9252 1.9444 2.9291 1.3570 1.4553 3.6220 1.3530 3.5197 1.3725 3.5392 0.8886 1.0859 1.0653 1.3135 2.1619 2.1522 202.8869 -0.5438 -0.5404 -0.8355 -0.6844 -0.9056 -0.8599 -0.9343 -0.8544 0.0000 0.3742 2.6422 0.9716 1.9117 0.6480 -82.8176 -78.4407 0.0000 -198.7263 T0328TS105_5 307 1.6366 1.9377 2.9342 1.9183 2.9147 1.9360 2.9325 1.3981 1.4457 3.6581 1.3458 3.5582 1.3613 3.5737 0.8534 1.0496 1.0314 1.2935 2.1417 2.1330 202.5123 -0.5941 -0.5684 -0.7906 -0.6506 -0.8994 -0.8535 -0.9431 -0.8758 0.0000 0.3606 2.7461 1.0102 2.0266 0.7063 -82.8990 -78.4030 0.0000 -198.5357 T0328TS010_3 307 1.6221 1.9539 2.9573 1.9429 2.9464 1.9490 2.9525 1.3387 1.4455 3.5962 1.3524 3.5031 1.3627 3.5134 0.4204 0.4461 0.4294 1.2828 2.1273 2.1160 195.0031 -0.6054 -0.5789 -0.7893 -0.6846 -0.9204 -0.8662 -0.9126 -0.8553 0.0000 0.3864 2.5852 0.9498 1.9043 0.6441 -82.0033 -77.7457 0.0000 -198.3506 T0328TS105_1-scwrl 307 1.6367 1.9235 2.9386 1.9214 2.9365 1.9351 2.9501 1.3446 1.4492 3.6136 1.3467 3.5111 1.3665 3.5309 0.8675 1.1008 1.0783 1.3269 2.1765 2.1628 202.7504 -0.5522 -0.5333 -0.8445 -0.6909 -0.8992 -0.8471 -0.9330 -0.8636 0.0000 0.3738 2.7052 0.9952 1.9659 0.6760 -82.8990 -78.6370 0.0000 -198.1462 T0328TS010_4-scwrl 307 1.6300 1.9596 2.9611 1.9480 2.9495 1.9573 2.9588 1.3367 1.4277 3.5864 1.3374 3.4961 1.3462 3.5049 0.4513 0.4933 0.4722 1.2878 2.1371 2.1211 195.4160 -0.5723 -0.5544 -0.8316 -0.7149 -0.9204 -0.8662 -0.9319 -0.8608 0.0000 0.3905 2.6580 0.9776 1.9017 0.6427 -82.0033 -77.8630 0.0000 -197.7143 T0328TS105_5-scwrl 307 1.6366 1.9377 2.9342 1.9183 2.9147 1.9360 2.9325 1.4000 1.4454 3.6566 1.3370 3.5482 1.3545 3.5657 0.8534 1.0496 1.0314 1.3151 2.1556 2.1400 202.5562 -0.5560 -0.5298 -0.8238 -0.6741 -0.8994 -0.8535 -0.9431 -0.8758 0.0000 0.3606 2.7376 1.0071 2.0266 0.7063 -82.8990 -78.4030 0.0000 -197.6470 T0328TS609_4-scwrl 307 1.6638 1.9688 2.9937 1.9502 2.9750 1.9688 2.9936 1.3498 1.4864 3.6410 1.3894 3.5440 1.4050 3.5596 0.8992 1.1600 1.1365 1.3300 2.1703 2.1505 205.7194 -0.5388 -0.5158 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