# 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 * log_align_constraint + 0 * log_align_bonus + 0 * log_rejected_constraint + 0 * log_rejected_bonus + 0 * log_noncontact_bonus + 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 = # ( 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 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 log_align_constraint log_align_bonus log_rejected_constraint log_rejected_bonus log_noncontact_bonus missing_atoms 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 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 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N T0301+all-align.a2m:1tm0A 391 -12.7038 1.3087 1.3710 2.0734 0.3107 0.9622 -0.0411 2.4046 6.6532 -12.3797 -1.1670 4.3540 4.7185 4.9210 4.7889 -1.5727 -0.3319 -0.1877 -0.1007 -0.0727 1.0000 1.0000 0.0000 0.0000 2.0642 2.3557 -0.3674 -0.1284 -0.4804 -0.3020 -0.9619 -0.9718 0.2476 -0.0781 2.7442 20.1346 -0.1716 -0.0157 -0.0846 -0.0151 0.1895 -0.1590 -0.0862 -0.4707 0.3643 20.5455 -0.8622 2.8002 4.3596 2.2858 0.6600 0.3318 -0.3541 0.9814 -0.1817 -0.9720 0.0000 -3.2342 1.0000 0.5782 -0.1256 0.0636 1.6734 0.4109 -0.5873 1.2869 -12.6481 -0.1195 -0.1048 -0.0538 -0.7452 -0.3375 -33.1072 -0.2701 -0.2898 -0.4809 -0.4493 -0.4644 -0.4472 -0.6499 -0.6449 0.8195 10.9790 2.3960 10.3979 2.3416 -27.7494 -26.9297 0.0000 166.7558 T0301+all-align.a2m:1tm0A 391 -13.1797 1.2398 1.2742 2.4734 0.3481 1.1350 -0.1159 2.6994 7.4076 -12.8759 -1.1638 4.7170 5.0544 5.1109 5.2285 -1.6260 -0.3426 -0.1980 -0.1063 -0.0740 1.0000 1.0000 0.0000 0.0000 2.0184 2.6581 -0.3666 -0.1268 -0.4793 -0.3020 -0.9592 -0.9711 0.2483 -0.3202 2.6882 19.7240 -0.2139 -0.0338 -0.1243 -0.0480 0.1346 -0.2156 -0.1300 -0.4577 0.3226 20.1831 -1.0077 2.7508 4.8647 2.5509 0.7354 0.3293 -0.3546 0.9456 -0.1862 -0.9714 0.0000 -3.5329 1.0000 0.5764 -0.1312 0.0439 1.8329 0.4087 -0.6152 1.2615 -13.1392 -0.1036 -0.0985 -0.0034 -0.7877 -0.3368 -33.5488 -0.2814 -0.2926 -0.4858 -0.4328 -0.4865 -0.4573 -0.6424 -0.6190 0.8341 11.3333 2.4277 10.7256 2.3726 -27.8772 -26.7818 0.0000 171.6334 T0301+all-align.a2m:1tm0A 391 -12.5215 1.3408 1.4057 2.5722 0.3162 1.1242 -0.0398 1.8795 7.3468 -12.2886 -0.9380 3.7386 5.1186 5.0401 4.7491 -1.4021 -0.2929 -0.1814 -0.1002 -0.0727 1.0000 1.0000 0.0000 0.0000 2.0634 2.3093 -0.3624 -0.1310 -0.4688 -0.3089 -0.9629 -0.9720 0.2438 0.2755 2.8192 20.6852 -0.0853 -0.0124 -0.0769 -0.0097 0.1297 -0.1899 -0.1215 -0.4124 0.3771 20.9613 -0.6077 2.8568 4.8476 2.2340 0.6478 0.2711 -0.3659 1.0009 -0.1835 -0.9717 0.0000 -3.2044 1.0000 0.5964 -0.1276 -0.0162 1.6582 0.3425 -0.5367 1.3164 -12.4304 0.0057 -0.0309 -0.0316 -0.7584 -0.3507 -32.6518 -0.2534 -0.2699 -0.5122 -0.4589 -0.4496 -0.4372 -0.6517 -0.6304 0.8044 12.6204 2.5353 12.1655 2.4986 -28.0051 -27.0543 0.0000 173.0992 T0301+all-align.a2m:1tm0A 391 -13.6354 1.2873 1.3468 2.8633 0.3090 0.9560 -0.0968 2.8686 8.5241 -13.3013 -1.4181 5.0100 5.5073 5.8034 5.8103 -1.5749 -0.3324 -0.1852 -0.0980 -0.0708 1.0000 1.0000 0.0000 0.0000 2.0574 2.8028 -0.3657 -0.1267 -0.4793 -0.3020 -0.9566 -0.9702 0.2540 -0.3954 2.6694 19.5863 -0.2097 -0.0688 -0.1170 -0.0413 0.1218 -0.2039 -0.1236 -0.4678 0.3329 20.0355 -1.0376 2.7307 5.6077 2.6989 0.7495 0.3297 -0.3547 0.9453 -0.1867 -0.9705 0.0000 -3.4006 1.0000 0.5764 -0.1316 0.0286 1.9696 0.4091 -0.5949 1.2612 -13.6101 -0.1036 -0.0881 0.0718 -0.7898 -0.3368 -33.0168 -0.2720 -0.2869 -0.4714 -0.4391 -0.4681 -0.4472 -0.6392 -0.6403 0.8396 11.1755 2.4137 10.6650 2.3670 -27.9412 -26.9193 0.0000 173.1285 T0301+all-align.a2m:1tm0A 391 -13.2810 1.3261 1.3845 2.4911 0.2953 0.8796 -0.0551 2.6819 7.7646 -12.9165 -1.4105 4.7457 5.1655 5.5590 5.3728 -1.5612 -0.3282 -0.1824 -0.0974 -0.0705 1.0000 1.0000 0.0000 0.0000 2.0542 2.5145 -0.3674 -0.1284 -0.4804 -0.3020 -0.9590 -0.9711 0.2508 -0.4186 2.6634 19.5422 -0.1711 -0.0324 -0.0762 -0.0119 0.1804 -0.1577 -0.0821 -0.4678 0.3662 20.0500 -1.0356 2.7326 5.0783 2.4704 0.7041 0.3318 -0.3541 0.9814 -0.1817 -0.9713 0.0000 -3.2399 1.0000 0.5782 -0.1256 0.0581 1.8734 0.4109 -0.5823 1.2869 -13.2456 -0.1195 -0.0990 0.0268 -0.7576 -0.3375 -32.7598 -0.2545 -0.2812 -0.4779 -0.4400 -0.4340 -0.4322 -0.6475 -0.6370 0.8407 11.1673 2.4130 10.6134 2.3621 -27.4297 -26.6163 0.0000 175.2246 T0301+all-align.a2m:2azpA 391 -12.0354 1.2432 1.2526 2.2025 0.2986 0.8246 -0.0544 2.0709 6.8430 -12.1722 -0.8908 3.9753 4.8142 4.4454 4.4414 -1.8501 -0.4127 -0.2898 -0.1498 -0.1194 1.0000 0.0000 0.0000 0.0000 2.5543 2.1371 -0.3731 -0.1361 -0.5028 -0.3336 -0.9693 -0.9751 0.3914 -0.3944 2.6697 19.5882 -0.2217 -0.0923 -0.2832 -0.2392 0.0457 -0.3366 -0.2626 -0.3377 0.2683 20.4374 -0.9147 2.7854 4.5324 2.1497 0.6150 -0.0401 -0.4437 0.8033 -0.1849 -0.9752 0.0000 -3.8392 0.0000 0.0633 -0.1368 -0.0443 1.7367 0.0618 -0.6051 1.1969 -12.0000 -0.1577 -0.1678 -0.1749 -0.7559 -0.4159 -40.7103 -0.3012 -0.2812 -0.5126 -0.4177 -0.5277 -0.4523 -0.5847 -0.5590 0.8215 12.4392 2.5209 11.9273 2.4788 -27.1739 -25.9159 0.0000 176.9223 T0301+all-align.a2m:1tm0A 391 -13.6152 1.3614 1.4219 3.1772 0.2952 0.9506 -0.0517 2.1899 9.0354 -13.3367 -1.3619 4.2193 5.6776 5.7141 5.4663 -1.4028 -0.2899 -0.1761 -0.0970 -0.0705 1.0000 1.0000 0.0000 0.0000 2.0453 2.4746 -0.3627 -0.1312 -0.4693 -0.3091 -0.9575 -0.9704 0.2476 -0.2646 2.7016 19.8221 -0.0824 -0.0284 -0.0679 -0.0065 0.1340 -0.1845 -0.1171 -0.4143 0.3790 20.2105 -1.0000 2.7545 5.9241 2.4609 0.7016 0.2709 -0.3654 1.0003 -0.1832 -0.9702 0.0000 -3.2146 1.0000 0.5961 -0.1279 -0.0160 2.0430 0.3418 -0.5367 1.3160 -13.5089 -0.0086 -0.0121 0.0859 -0.7607 -0.3500 -31.9750 -0.2381 -0.2642 -0.5123 -0.4493 -0.4192 -0.4221 -0.6505 -0.6176 0.8331 12.0550 2.4895 11.6215 2.4529 -28.0051 -26.7599 0.0000 178.2930 T0301+all-align.a2m:1bwzA 391 -14.5620 1.2986 1.3120 3.6051 0.2873 0.8251 -0.0115 2.7013 11.2987 -14.4405 -1.2881 5.0762 6.1157 5.9960 5.6685 -1.8018 -0.3881 -0.2426 -0.1449 -0.1139 1.0000 1.0000 0.0000 0.0000 1.7868 2.9342 -0.3886 -0.1302 -0.5252 -0.3328 -0.9549 -0.9694 0.2002 -0.1796 2.7214 19.9674 -0.1193 0.1668 -0.1865 -0.0951 0.1077 -0.2700 -0.1740 -0.0307 0.3666 20.2847 -0.9762 2.7646 7.6183 2.8227 0.6957 -0.2411 -0.5417 0.5401 -0.2910 -0.9693 0.0000 -3.6008 1.0000 0.0897 -0.1724 0.0058 2.5975 0.0382 -0.6380 1.0593 -14.6177 -0.0176 -0.0576 0.0610 -0.5780 -0.4173 -36.7744 -0.2278 -0.2500 -0.3823 -0.3563 -0.4002 -0.4070 -0.5534 -0.5062 0.8298 10.3326 2.3353 9.7172 2.2739 -29.4757 -28.4002 0.0000 178.5421 T0301+all-align.a2m:1gqzA 391 -14.7949 1.2710 1.2615 3.5646 0.3857 0.8112 -0.0842 2.7850 11.6253 -14.7696 -1.2360 5.3522 6.0616 6.2805 6.0444 -1.9502 -0.4370 -0.3111 -0.1910 -0.1544 1.0000 1.0000 0.0000 0.0000 1.5954 2.9691 -0.3982 -0.1327 -0.5389 -0.3498 -0.9548 -0.9694 0.2810 -0.3063 2.6916 19.7488 -0.0890 0.0781 -0.2314 -0.1258 0.1235 -0.2655 -0.1875 -0.1017 0.3561 20.0690 -1.0326 2.7352 7.7643 3.0066 0.7200 -0.2284 -0.5427 0.5131 -0.3031 -0.9693 0.0000 -3.9803 1.0000 -0.0291 -0.1795 0.0256 2.7848 0.0655 -0.6354 1.0435 -14.6734 -0.0898 -0.0658 0.1147 -0.6276 -0.4065 -36.1115 -0.2184 -0.2443 -0.4849 -0.3496 -0.3826 -0.3920 -0.5602 -0.4615 0.8336 10.4987 2.3512 9.9087 2.2934 -27.8772 -26.7252 0.0000 180.3970 T0301+all-align.a2m:2azpA 391 -12.0000 1.3158 1.2836 2.1392 0.3200 1.0173 -0.1153 2.1917 6.8582 -12.0608 -0.9674 4.1003 4.7055 4.6053 4.5204 -1.9611 -0.4387 -0.3023 -0.1758 -0.1306 1.0000 1.0000 0.0000 0.0000 2.6938 2.0558 -0.3552 -0.1299 -0.4683 -0.2996 -0.9663 -0.9738 0.4087 -0.4171 2.6638 19.5451 -0.2434 -0.0833 -0.2484 -0.1919 0.0697 -0.3069 -0.2237 -0.3654 0.2645 20.3512 -0.9513 2.7737 4.5505 2.1960 0.6405 0.0754 -0.3941 0.8957 -0.1659 -0.9739 0.0000 -3.9438 1.0000 0.1632 -0.1198 -0.0077 1.9266 0.1705 -0.6430 1.2712 -11.9696 0.0014 -0.1820 -0.2039 -0.7157 -0.3711 -36.3072 -0.2628 -0.2528 -0.4146 -0.3532 -0.4665 -0.4070 -0.5006 -0.4821 0.8356 11.8968 2.4763 11.3949 2.4332 -26.8542 -26.0569 0.0000 191.1334 T0301+all-align.a2m:1w61A 391 -11.5089 1.1585 1.1861 1.9797 0.4146 0.7357 -0.1095 2.1363 5.9671 -11.4278 -0.7884 3.8663 4.6887 4.4568 4.0574 -1.9320 -0.4259 -0.2741 -0.1298 -0.0915 1.0000 1.0000 0.0000 0.0000 2.0503 2.0297 -0.3736 -0.1395 -0.4853 -0.3216 -0.9684 -0.9736 0.3097 0.9755 2.9592 21.7126 -0.1745 -0.0103 -0.2178 -0.1611 0.0937 -0.2495 -0.1768 -0.2883 0.2668 21.9128 0.1537 2.9865 3.8798 1.9932 0.5998 0.0525 -0.4172 0.8217 -0.1984 -0.9738 0.0000 -4.0237 1.0000 0.2178 -0.1309 0.0333 1.5089 0.2009 -0.6228 1.2146 -11.4734 -0.1337 -0.1465 -0.2206 -0.7202 -0.3749 -36.5011 -0.3107 -0.2926 -0.5236 -0.4274 -0.5490 -0.4874 -0.6837 -0.6382 0.8110 17.8682 2.8830 17.4348 2.8585 -28.5166 -27.4312 0.0000 191.6133 T0301+all-align.a2m:1gqzA 391 -12.5823 1.2804 1.2597 2.4278 0.3839 0.8779 -0.0441 2.0902 7.7722 -12.5975 -0.8633 4.3241 5.2451 5.0993 4.9341 -2.0727 -0.4699 -0.3334 -0.2037 -0.1521 1.0000 1.0000 0.0000 0.0000 1.5390 2.2234 -0.3768 -0.1283 -0.5215 -0.3418 -0.9631 -0.9719 0.2867 -0.0350 2.7536 20.2040 -0.0864 0.0534 -0.2201 -0.1082 0.1746 -0.2293 -0.1423 -0.1451 0.3136 21.0547 -0.5415 2.8696 5.2313 2.4166 0.6095 -0.2159 -0.5617 0.6337 -0.2823 -0.9719 0.0000 -4.0318 1.0000 -0.0305 -0.1668 -0.0097 1.8152 0.0857 -0.6557 1.1641 -12.6582 -0.0132 -0.0736 -0.0200 -0.6419 -0.4237 -37.4161 -0.2312 -0.2500 -0.4689 -0.3465 -0.4211 -0.4020 -0.5560 -0.4571 0.8365 12.0754 2.4912 11.4748 2.4402 -26.9182 -25.9402 0.0000 191.6553 T0301+all-align.a2m:1w61A 391 -13.1139 1.1967 1.2513 2.5468 0.3913 0.6866 -0.1530 2.8860 8.0506 -13.1494 -1.0832 4.9569 5.4090 5.5638 5.4570 -1.8732 -0.4164 -0.2652 -0.1297 -0.0953 1.0000 1.0000 0.0000 0.0000 1.9843 2.7281 -0.3771 -0.1365 -0.4907 -0.2994 -0.9621 -0.9731 0.3128 -0.6636 2.5898 19.0020 -0.1681 -0.0717 -0.2093 -0.1592 0.1163 -0.2674 -0.2094 -0.3907 0.2577 19.4795 -0.9142 2.6549 5.2797 2.7562 0.7383 0.1076 -0.3807 0.7676 -0.2115 -0.9732 0.0000 -4.0349 1.0000 0.1846 -0.1388 0.0534 1.8380 0.2524 -0.6101 1.1670 -13.0430 -0.1243 -0.1033 0.0022 -0.7494 -0.3412 -33.8986 -0.2629 -0.2528 -0.4686 -0.3755 -0.4725 -0.4271 -0.6023 -0.5782 0.8510 12.4857 2.5246 12.1569 2.4979 -27.1739 -25.8067 0.0000 191.7150 T0301+all-align.a2m:2azpA 391 -12.2987 1.2836 1.3037 2.1671 0.2929 0.8967 -0.0485 2.0984 6.6127 -12.1873 -0.8187 3.8852 5.1370 4.5903 4.3557 -1.8527 -0.4118 -0.2779 -0.1459 -0.1133 1.0000 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