# cost function cost = # ( 0 * CAContact(8) + 0 * alpha + 0 * alpha_prev + 0 * backbone_clashes + 0 * bad_peptide + 0 * break + 0 * bystroff + 0 * cb14(14) + 0 * clashes + 0 * contact(8) + 0 * contact_order + 0 * dry12(12) + 0 * dry5(5) + 0 * dry6.5(6.5) + 0 * dry8(8) + 0 * hbond_dist + 0 * hbond_geom + 0 * hbond_geom_backbone + 0 * hbond_geom_beta + 0 * hbond_geom_beta_pair + 0 * is_align + 0 * knot + 0 * maybe_metal + 0 * maybe_ssbond + 0 * n_ca_c + 0 * near_backbone(9.65) + 0 * nn1000_constraint + 0 * nn700_constraint + 0 * nn75_constraint + 0 * nn75_constraint_9 + 0 * noncontacts + 0 * noncontacts_bonus + 0 * old_n_ca_c + 0 * phobic_fit + 0 * phobic_norm + 0 * phobic_radius + 0 * pred_CB8_sep9_back(8) + 0 * pred_bys_back + 0 * pred_n_notor2_back + 0 * pred_n_notor_back + 0 * pred_n_sep_back + 0 * pred_o_notor2_back + 0 * pred_o_notor_back + 0 * pred_pb_back + 0 * pred_str4_back + 0 * radius + 0 * radius_fit + 0 * radius_norm + 0 * soft_clashes + 0 * way_back(8.9) + 0 * wet6.5(6.5, /log(length)) + 0 * align_constraints_meta01 + 0 * align_bonus_constraints_meta01 + 0 * non_contacts_constraints_meta01 + 0 * non_contacts_bonus_constraints_meta01 + 0 * rejected_constraints_meta01 + 0 * rejected_bonus_constraints_meta01 + 0 * align_constraints_meta02 + 0 * align_bonus_constraints_meta02 + 0 * non_contacts_constraints_meta02 + 0 * non_contacts_bonus_constraints_meta02 + 0 * rejected_constraints_meta02 + 0 * rejected_bonus_constraints_meta02 + 0.000853992 * missing_atoms + 2.17017e-05 * sidechain + 1.48294 * deep_knot + 0.25592 * sheet_constraint + 6.07784 * rejected_bonus + 2.40196 * pred_o_sep_back + 1.51318 * sidechain_clashes + 1.0601 * align_constraint + 5.92238 * hbond_count + 3.36005 * rejected_constraint + 1.02884 * CBContact(8) + 0.222048 * ehl2_constraint + 9.23897 * pred_nb11_back(9.65) + 8.68011 * pred_cb14_back(14) + 8.92183 * pred_alpha_back + 49.8329 * align_bonus ) # 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 + 200 * clens + 0 * rmsd + 35 * log_rmsd + 0 * rmsd_ca + 30 * log_rmsd_ca + 1 * GDT + 1 * smooth_GDT + 0 * missing_atoms ) name length-copy CAContact alpha alpha_prev backbone_clashes bad_peptide break bystroff cb14 clashes contact contact_order dry12 dry5 dry6.5 dry8 hbond_dist hbond_geom hbond_geom_backbone hbond_geom_beta hbond_geom_beta_pair is_align knot maybe_metal maybe_ssbond n_ca_c near_backbone nn1000_constraint nn700_constraint nn75_constraint nn75_constraint_9 noncontacts noncontacts_bonus old_n_ca_c phobic_fit phobic_norm phobic_radius pred_CB8_sep9_back pred_bys_back pred_n_notor2_back pred_n_notor_back pred_n_sep_back pred_o_notor2_back pred_o_notor_back pred_pb_back pred_str4_back radius radius_fit radius_norm soft_clashes way_back wet6.5 align_constraints_meta01 align_bonus_constraints_meta01 non_contacts_constraints_meta01 non_contacts_bonus_constraints_meta01 rejected_constraints_meta01 rejected_bonus_constraints_meta01 align_constraints_meta02 align_bonus_constraints_meta02 non_contacts_constraints_meta02 non_contacts_bonus_constraints_meta02 rejected_constraints_meta02 rejected_bonus_constraints_meta02 missing_atoms-copy sidechain deep_knot sheet_constraint rejected_bonus pred_o_sep_back sidechain_clashes align_constraint hbond_count rejected_constraint CBContact ehl2_constraint pred_nb11_back pred_cb14_back pred_alpha_back align_bonus 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 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 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 10N 10N 5N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 2gsfA 280 -8.5935 0.9965 0.9841 0.0000 1.2329 0.0000 -0.2387 1.2204 0.0387 -9.3419 -0.7288 3.1685 2.8572 2.8629 2.9756 -2.9215 -0.6771 -0.4026 -0.1215 -0.0727 0.0000 1.0000 0.0000 0.0000 1.2526 1.4854 -0.3928 -0.1342 -0.4810 -0.3280 -2.5864 -2.5958 0.2170 4.3742 3.6658 24.8099 -0.3461 -0.7329 -0.6102 -0.5824 0.3048 -0.5279 -0.5014 -1.1181 -0.3431 27.9087 7.1182 4.1237 -0.0058 1.5188 0.4797 -0.7148 -0.7816 0 0 0.3994 -0.3647 -0.7226 -0.7843 0 0 0.1920 -0.4219 222.0000 -4.6925 1.0000 3.1253 -0.3905 0.1964 0.0355 -0.6034 -0.8419 0.1177 -8.8387 -0.5816 -0.4662 -0.5558 -1.3234 -0.6951 -69.4059 280 -1 -1 -1 -1 -1 -1 -1 -1 0 0 -7 1.25938e-09 -7 -100 -100 222 -895 T0291AL243_1 264 -8.4710 0.9304 0.9443 0.2935 1.3325 0.0000 -0.2397 1.1790 2.3000 -15.3935 -0.5651 4.0704 4.2948 4.9069 4.2767 -1.6804 -0.3893 -0.3758 -0.0998 -0.0656 0.0000 0.0000 0.0000 0.0000 2.3718 1.4295 0.0000 0.0000 0.0000 0.0424 -9.6922 -9.7393 0.2543 8.2300 4.6498 31.4695 -0.2279 -0.6465 -0.5314 -0.5103 0.2870 -0.5276 -0.5070 -1.0480 -0.3011 31.4805 9.7699 4.6514 1.5446 1.4434 0.4426 1.2771 0.0000 0 0 1.2730 -0.0017 1.2771 0.0000 0 0 1.2726 -0.0018 1361.0000 -6.1416 0.0000 0.4456 -0.0011 0.1734 0.0000 1.2771 -0.5065 1.2739 -8.4710 0.8361 -0.4554 -0.5102 -1.3173 0.0000 -24.5968 264 -0.58121 -0.54023 -0.992892 -0.965753 -0.962544 -0.903846 -0.99586 -0.979167 0.128123 0.736089 -0.306404 0.72302 -0.324318 -91.0714 -88.5998 1361 -366.919 T0291AL706_1 264 -8.4710 0.9304 0.9443 0.2935 1.3325 0.0000 -0.2397 1.1790 2.3000 -15.3935 -0.5651 4.0704 4.2948 4.9069 4.2767 -1.6804 -0.3893 -0.3758 -0.0998 -0.0656 0.0000 0.0000 0.0000 0.0000 2.3718 1.4295 0.0000 0.0000 0.0000 0.0424 -9.6922 -9.7393 0.2543 8.2300 4.6498 31.4695 -0.2279 -0.6465 -0.5314 -0.5103 0.2870 -0.5276 -0.5070 -1.0480 -0.3011 31.4805 9.7699 4.6514 1.5446 1.4434 0.4426 1.2771 0.0000 0 0 1.2730 -0.0017 1.2771 0.0000 0 0 1.2726 -0.0018 1361.0000 -6.1416 0.0000 0.4456 -0.0011 0.1734 0.0000 1.2771 -0.5065 1.2739 -8.4710 0.8361 -0.4554 -0.5102 -1.3173 0.0000 -24.5968 264 -0.58121 -0.54023 -0.992892 -0.965753 -0.962544 -0.903846 -0.99586 -0.979167 0.128123 0.736089 -0.306404 0.72302 -0.324318 -91.0714 -88.5998 1361 -366.919 T0291TS383_1 264 -8.4710 0.9304 0.9443 0.2935 1.3325 0.0000 -0.2397 1.1790 2.3000 -15.3935 -0.5651 4.0704 4.2948 4.9069 4.2767 -1.6804 -0.3893 -0.3758 -0.0998 -0.0656 0.0000 0.0000 0.0000 0.0000 2.3718 1.4295 0.0000 0.0000 0.0000 0.0424 -9.6922 -9.7393 0.2543 8.2300 4.6498 31.4695 -0.2279 -0.6465 -0.5314 -0.5103 0.2870 -0.5276 -0.5070 -1.0480 -0.3011 31.4805 9.7699 4.6514 1.5446 1.4434 0.4426 1.2771 0.0000 0 0 1.2730 -0.0017 1.2771 0.0000 0 0 1.2726 -0.0018 1361.0000 -6.1416 0.0000 0.4456 -0.0011 0.1734 0.0000 1.2771 -0.5065 1.2739 -8.4710 0.8361 -0.4554 -0.5102 -1.3173 0.0000 -24.5968 264 -0.58121 -0.54023 -0.992892 -0.965753 -0.962544 -0.903846 -0.99586 -0.979167 0.128123 0.736089 -0.306404 0.72302 -0.324318 -91.0714 -88.5998 1361 -366.919 T0291TS102_1 264 -8.4710 0.9304 0.9443 0.2935 1.3325 0.0000 -0.2397 1.1760 2.1323 -14.1355 -0.5973 3.5997 3.5791 3.9358 3.7234 -1.6836 -0.3893 -0.3758 -0.0998 -0.0656 0.0000 0.0000 0.0000 0.0000 2.3718 1.4295 -0.3831 -0.1335 -0.4751 -0.3290 -2.9993 -3.0102 0.2543 7.0966 4.3361 29.3463 -0.3334 -0.6465 -0.5256 -0.5073 0.2870 -0.5276 -0.5070 -1.0480 -0.3011 29.3598 8.2342 4.3381 1.4435 1.4434 0.4189 -0.7065 -0.7952 0 0 0.3444 -0.3909 -0.7225 -0.8019 0 0 0.1481 -0.4476 1106.0000 -6.1384 0.0000 -0.0474 -0.3818 0.1803 0.2871 -0.5636 -0.5097 0.1557 -8.7161 -0.5347 -0.4554 -0.5136 -1.3173 -0.6788 -66.9465 264 -0.58121 -0.54023 -0.992892 -0.965753 -0.962544 -0.903846 -0.99586 -0.979167 0.128123 0.752434 -0.284441 0.72302 -0.324318 -91.0714 -88.5998 1106 -366.15 T0291AL381_4 263 -8.4387 0.9270 0.9423 0.2935 1.3642 0.0000 -0.2413 1.1746 2.2871 -15.2903 -0.5537 4.0531 4.2746 4.8874 4.2661 -1.6676 -0.3872 -0.3736 -0.0977 -0.0656 0.0000 1.0000 0.0000 0.0000 2.3845 1.4238 0.0000 0.0000 0.0000 0.0424 -9.6922 -9.7393 0.2540 8.2525 4.6563 31.5130 -0.2268 -0.6397 -0.5351 -0.5121 0.2780 -0.5323 -0.5093 -1.0383 -0.3115 31.6219 9.8686 4.6723 1.5352 1.4393 0.4420 1.2771 0.0000 0 0 1.2730 -0.0017 1.2771 0.0000 0 0 1.2726 -0.0018 1365.0000 -6.1159 0.0000 0.4456 -0.0011 0.1710 0.0000 1.2771 -0.5032 1.2739 -8.4387 0.8361 -0.4548 -0.5113 -1.3133 0.0000 -24.5167 263 -0.58121 -0.536398 -0.992887 -0.965517 -0.962544 -0.897436 -0.995857 -0.979021 0.129213 0.736027 -0.306489 0.722926 -0.324448 -90.8929 -88.2963 1365 -365.956 T0291AL044_1 262 -8.3935 0.9202 0.9363 0.2935 1.3967 0.0000 -0.2418 1.1699 2.3000 -15.3677 -0.5654 4.0476 4.2675 4.8785 4.2481 -1.6724 -0.3866 -0.3730 -0.0998 -0.0656 0.0000 0.0000 0.0000 0.0000 2.3903 1.4255 0.0000 0.0000 0.0000 0.0424 -9.6922 -9.7393 0.2549 8.2381 4.6521 31.4850 -0.2284 -0.6513 -0.5306 -0.5091 0.2771 -0.5296 -0.5067 -1.0644 -0.3151 31.4997 9.7833 4.6543 1.5446 1.4345 0.4403 1.2771 0.0000 0 0 1.2730 -0.0017 1.2771 0.0000 0 0 1.2726 -0.0018 1369.0000 -6.1461 0.0000 0.4456 -0.0011 0.1645 0.0000 1.2771 -0.5032 1.2739 -8.3935 0.8361 -0.4552 -0.5143 -1.3153 0.0000 -24.5296 262 -0.571087 -0.536398 -0.992859 -0.965517 -0.945778 -0.897436 -0.995841 -0.979021 0.12933 0.733077 -0.310505 0.723318 -0.323907 -90.4464 -87.905 1369 -364.544 T0291AL380_2 260 -8.1677 0.9111 0.9278 0.0065 1.7604 0.0000 -0.1959 1.1481 0.0065 -8.5032 -0.5651 3.9574 4.1766 4.7706 4.1855 -1.5318 -0.3356 -0.3356 -0.0965 -0.0625 0.0000 0.0000 0.0000 0.0000 2.2692 1.3973 0.0000 0.0000 0.0000 0.0424 -9.6893 -9.7364 0.2973 15.7303 7.3816 49.9578 -0.2197 -0.6292 -0.5365 -0.4887 0.2012 -0.5564 -0.5081 -1.0829 -0.3125 49.8446 19.8890 7.3649 0.0003 1.4253 0.4391 1.2771 0.0000 0 0 1.2687 -0.0034 1.2770 0.0000 0 0 1.2679 -0.0036 1397.0000 -5.7451 0.0000 0.4464 -0.0042 0.1843 0.0000 1.2771 -0.4774 1.2663 -8.1677 0.8270 -0.4882 -0.4979 -1.3064 0.0000 -24.2010 260 -0.577014 -0.547893 -0.99093 -0.966216 -0.955595 -0.916667 -0.99093 -0.966216 0.175649 0.752508 -0.284343 0.759053 -0.275684 -89.8214 -87.5936 1397 -352.904 T0291TS050_3 266 -8.5161 0.9514 0.9816 0.3742 1.2487 0.0000 -0.2355 1.1888 1.1097 -9.9355 -0.6797 3.0611 2.7982 2.7664 2.8998 -2.6872 -0.6327 -0.3750 -0.0991 -0.0649 0.0000 0.0000 0.0000 0.0000 2.7748 1.4458 -0.3829 -0.1333 -0.4748 -0.3286 -2.8955 -2.9058 0.2858 0.6182 2.8885 19.5490 -0.3474 -0.6595 -0.5949 -0.5799 0.3641 -0.4944 -0.4704 -1.0688 -0.3011 20.7562 0.6783 3.0669 0.6884 1.4610 0.4623 -0.7066 -0.7953 0 0 0.3521 -0.3859 -0.7225 -0.8020 0 0 0.1567 -0.4418 263.0000 -4.8016 0.0000 -0.0379 -0.3807 0.1646 0.2742 -0.5636 -0.8097 0.1552 -8.7806 -0.5430 -0.4648 -0.5271 -1.3098 -0.6786 -69.6863 266 -0.820063 -0.766284 -0.872691 -0.840336 -0.962544 -0.903846 -0.995822 -0.979167 0.132369 1.36972 0.314604 0.850063 -0.162445 -91.1607 -88.6857 263 -350.617 T0291TS186_1 266 -8.5161 0.9514 0.9816 0.3742 1.2487 0.0000 -0.2355 1.1888 1.1097 -9.9355 -0.6797 3.0611 2.7982 2.7664 2.8998 -2.6872 -0.6327 -0.3750 -0.0991 -0.0649 0.0000 0.0000 0.0000 0.0000 2.7748 1.4458 -0.3829 -0.1333 -0.4748 -0.3286 -2.8955 -2.9058 0.2858 0.6182 2.8885 19.5490 -0.3474 -0.6595 -0.5949 -0.5799 0.3641 -0.4944 -0.4704 -1.0688 -0.3011 20.7562 0.6783 3.0669 0.6884 1.4610 0.4623 -0.7066 -0.7953 0 0 0.3521 -0.3859 -0.7225 -0.8020 0 0 0.1567 -0.4418 263.0000 -4.8016 0.0000 -0.0379 -0.3807 0.1646 0.2742 -0.5636 -0.8097 0.1552 -8.7806 -0.5430 -0.4648 -0.5271 -1.3098 -0.6786 -69.6863 266 -0.820063 -0.766284 -0.872691 -0.840336 -0.962544 -0.903846 -0.995822 -0.979167 0.132369 1.36972 0.314604 0.850063 -0.162445 -91.1607 -88.6857 263 -350.617 T0291AL170_1 261 -8.3484 0.9079 0.9280 0.3161 1.4384 0.0000 -0.2439 1.1605 2.2871 -15.2903 -0.5415 4.0238 4.2541 4.8492 4.2350 -1.6676 -0.3872 -0.3736 -0.0977 -0.0656 0.0000 1.0000 0.0000 0.0000 2.3999 1.4139 0.0000 0.0000 0.0000 0.0424 -9.6922 -9.7393 0.2539 8.3866 4.6949 31.7747 -0.2256 -0.6229 -0.5351 -0.5121 0.2780 -0.5323 -0.5093 -1.0349 -0.3011 31.7684 9.9703 4.6940 1.5371 1.4267 0.4357 1.2771 0.0000 0 0 1.2730 -0.0017 1.2771 0.0000 0 0 1.2726 -0.0018 1373.0000 -6.1642 0.0000 0.4456 -0.0011 0.1710 0.0000 1.2771 -0.5032 1.2739 -8.3484 0.8704 -0.4543 -0.5129 -1.3034 0.0000 -24.3297 261 -0.58121 -0.536398 -0.992887 -0.965517 -0.962544 -0.897436 -0.995857 -0.979021 0.147331 0.881585 -0.126033 0.886331 -0.120665 -89.8214 -87.4269 1373 -347.962 T0291AL170_2_1 261 -8.3484 0.9079 0.9280 0.3161 1.4384 0.0000 -0.2439 1.1605 2.2871 -15.2903 -0.5415 4.0238 4.2541 4.8492 4.2350 -1.6676 -0.3872 -0.3736 -0.0977 -0.0656 0.0000 1.0000 0.0000 0.0000 2.3999 1.4139 0.0000 0.0000 0.0000 0.0424 -9.6922 -9.7393 0.2539 8.3866 4.6949 31.7747 -0.2256 -0.6229 -0.5351 -0.5121 0.2780 -0.5323 -0.5093 -1.0349 -0.3011 31.7684 9.9703 4.6940 1.5371 1.4267 0.4357 1.2771 0.0000 0 0 1.2730 -0.0017 1.2771 0.0000 0 0 1.2726 -0.0018 1373.0000 -6.1642 0.0000 0.4456 -0.0011 0.1710 0.0000 1.2771 -0.5032 1.2739 -8.3484 0.8704 -0.4543 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