# 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 2hlzA 296 -10.2432 1.1517 1.1686 0.0000 0.1925 0.0046 -0.2912 1.4033 0.0068 -10.4324 -0.8631 3.4190 3.1518 3.1249 3.2770 -2.9862 -0.7217 -0.4350 -0.1748 -0.1496 1.0000 0.0000 2.6219 0.0000 1.1600 1.6294 -0.4080 -0.1628 -0.4943 -0.3145 -0.9780 -0.9796 0.1959 16.2670 7.6298 50.8482 -0.3704 -0.7259 -0.7079 -0.7349 -0.8784 -0.7012 -0.6502 -1.1693 -0.9476 51.1396 20.7930 7.6735 0.0018 1.7201 0.5490 -0.3420 -0.5580 0 0 0.8805 -0.1463 -0.3382 -0.5584 0 0 0.6846 -0.1723 54.0000 -4.5688 0.0000 -0.1636 -0.1188 -0.8199 0.0068 0.0078 -0.9493 1.0736 -10.3851 -0.4659 -0.4824 -0.5132 -1.4447 -0.4628 -60.3368 296 -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 54.0000 -895.0000 T0375AL243_1-scwrl 280 -9.5203 0.9603 0.9735 0.0101 0.3190 0.0000 -0.1676 1.3676 0.6824 -9.9527 -0.8636 3.2690 3.0734 3.0704 3.2412 -2.1427 -0.5163 -0.3838 -0.1559 -0.1248 0.0000 0.0000 1.8207 -0.5433 2.3944 1.6544 -0.4226 -0.1648 -0.5086 -0.3422 -2.4711 -2.4804 0.5743 23.0699 11.6028 77.3264 -0.3491 -0.2711 -0.6566 -0.6738 -0.7785 -0.6005 -0.5971 -0.7430 -0.3914 78.1489 30.1307 11.7262 0.3188 1.7204 0.5306 -0.4321 -0.6281 0 0 0.7273 -0.2047 -0.4372 -0.6274 0 0 0.5466 -0.2412 180.0000 -4.9306 0.0000 -0.0222 -0.1360 -0.7773 0.3953 -0.0943 -0.7095 0.9486 -9.9527 -0.3188 -0.3361 -0.4514 -1.3404 -0.4664 -55.5962 280 -0.5682 -0.5587 -0.8436 -0.7585 -0.8427 -0.7803 -0.9163 -0.8544 0.4351 3.8790 1.3556 3.0796 1.1248 -61.5709 -57.4577 180.0000 -121.2142 T0375TS383_1-scwrl 284 -9.7973 0.9618 0.9754 0.0068 0.3086 0.0000 -0.1524 1.4033 0.7061 -10.2162 -0.8969 3.3207 3.1162 3.1352 3.2907 -2.1960 -0.5215 -0.3862 -0.1583 -0.1271 0.0000 0.0000 1.8207 -0.5433 2.3689 1.6884 -0.4252 -0.1662 -0.5133 -0.3468 -2.2196 -2.2280 0.5288 23.0885 11.6161 77.4149 -0.3563 -0.2800 -0.6726 -0.6744 -0.7954 -0.5990 -0.5990 -0.7594 -0.4135 78.1419 30.1288 11.7252 0.3286 1.7545 0.5392 -0.4692 -0.6398 0 0 0.6766 -0.2179 -0.4754 -0.6394 0 0 0.4874 -0.2565 148.0000 -4.8602 0.0000 -0.0824 -0.1407 -0.7790 0.4155 -0.1337 -0.7264 0.9285 -10.2162 -0.3188 -0.3302 -0.4707 -1.3379 -0.4801 -56.8969 284 -0.5711 -0.5658 -0.8473 -0.7500 -0.8480 -0.7861 -0.9133 -0.8447 0.4366 3.9374 1.3705 3.1224 1.1386 -61.8243 -57.8055 148.0000 -120.8161 T0375AL243_2-scwrl 280 -9.7027 0.9767 0.9733 0.0101 0.3024 0.0000 -0.1826 1.3708 0.6723 -9.8784 -0.8902 3.2620 3.0270 3.0408 3.2200 -2.1927 -0.5324 -0.4214 -0.1769 -0.1379 0.0000 0.0000 1.9590 -0.5306 2.4020 1.6703 -0.4248 -0.1667 -0.5102 -0.3442 -2.4711 -2.4805 0.6504 15.9368 7.4761 49.8242 -0.3288 -0.2264 -0.6438 -0.6645 -0.7590 -0.5664 -0.5684 -0.7087 -0.3259 50.5554 20.5400 7.5858 0.3126 1.7167 0.5239 -0.4295 -0.6244 0 0 0.7192 -0.2076 -0.4344 -0.6237 0 0 0.5382 -0.2445 180.0000 -4.7586 0.0000 -0.0354 -0.1406 -0.7559 0.3514 -0.0892 -0.6926 0.9338 -10.1081 -0.3067 -0.3223 -0.4712 -1.3088 -0.4598 -55.1755 280 -0.5472 -0.5552 -0.8055 -0.7723 -0.8521 -0.7919 -0.8450 -0.8509 0.4408 3.8149 1.3389 2.9477 1.0810 -61.8243 -57.8631 180.0000 -119.6493 T0375TS383_2-scwrl 283 -9.8919 0.9766 0.9743 0.0101 0.2930 0.0000 -0.1708 1.4052 0.7061 -10.1081 -0.9072 3.2927 3.0521 3.0652 3.2335 -2.2325 -0.5385 -0.4218 -0.1769 -0.1379 0.0000 0.0000 1.9590 -0.5306 2.3939 1.7087 -0.4248 -0.1667 -0.5102 -0.3442 -2.2809 -2.2895 0.6124 15.9533 7.4837 49.8750 -0.3350 -0.2269 -0.6328 -0.6588 -0.7542 -0.5673 -0.5695 -0.7219 -0.3251 50.6177 20.5671 7.5952 0.3252 1.7518 0.5324 -0.4475 -0.6306 0 0 0.6730 -0.2172 -0.4523 -0.6297 0 0 0.4836 -0.2563 157.0000 -4.7169 0.0000 -0.0354 -0.1436 -0.7548 0.3615 -0.0987 -0.7027 0.9188 -10.2973 -0.2963 -0.3128 -0.4828 -1.3069 -0.4633 -55.6813 283 -0.5595 -0.5587 -0.8018 -0.7659 -0.8521 -0.7919 -0.8423 -0.8457 0.4387 3.8571 1.3499 2.9942 1.0967 -61.7399 -57.9512 157.0000 -119.4087 T0375AL243_4-scwrl 282 -9.8243 0.9092 0.9050 0.0101 0.2689 0.0000 -0.1802 1.4266 0.7061 -9.7973 -0.8566 3.3249 3.1231 3.1201 3.3154 -2.1043 -0.5065 -0.4071 -0.1707 -0.1415 0.0000 0.0000 0.0000 -0.3453 1.8007 1.6949 -0.4192 -0.1672 -0.5076 -0.3384 -2.2903 -2.2989 0.5118 18.8830 8.9643 59.7424 -0.3323 -0.2216 -0.6573 -0.6798 -0.8034 -0.5808 -0.5765 -0.7593 -0.2847 59.5257 24.1367 8.9318 0.3134 1.7436 0.5332 -0.4437 -0.6266 0 0 0.7252 -0.2110 -0.4494 -0.6278 0 0 0.5400 -0.2469 155.0000 -4.9528 0.0000 -0.0943 -0.1416 -0.7653 0.3953 -0.1140 -0.7027 0.9333 -9.8851 -0.3226 -0.3677 -0.4467 -1.3242 -0.4688 -55.8322 282 -0.5590 -0.5623 -0.8605 -0.7633 -0.8829 -0.8150 -0.9193 -0.8650 0.4519 4.1230 1.4166 3.4323 1.2332 -63.5980 -59.5633 155.0000 -118.2702 T0375TS087_4-scwrl 296 -10.4189 1.3477 1.3608 0.0000 0.1541 0.0022 -0.1623 1.4787 0.3986 -10.3378 -0.9685 3.5159 3.1747 3.1830 3.3749 -1.4967 -0.3535 -0.2401 -0.1099 -0.0835 1.0000 0.0000 2.2715 -0.4205 1.5077 1.8578 -0.4215 -0.1623 -0.5104 -0.3427 -0.9775 -0.9794 0.1138 16.9029 7.9347 52.8802 -0.2430 -0.4338 -0.4199 -0.4539 -0.5343 -0.4116 -0.4039 -0.7735 -0.7322 53.1777 21.6536 7.9793 0.1606 1.8660 0.5637 -0.4124 -0.6140 0 0 0.6990 -0.2160 -0.4059 -0.6115 0 0 0.4739 -0.2579 0.0000 -4.0260 0.0000 -0.0549 -0.1361 -0.5344 0.2264 0.0340 -0.6351 1.0152 -10.5541 -0.2427 -0.2598 -0.4221 -1.2487 -0.4666 -53.4651 296 -0.4969 -0.4947 -0.7965 -0.7514 -0.7176 -0.6879 -0.9328 -0.8561 0.4402 3.9214 1.3665 3.1408 1.1445 -65.7939 -61.5370 0.0000 -116.0385 T0375TS383_4-scwrl 284 -9.9392 0.9268 0.9171 0.0101 0.2601 0.0000 -0.1602 1.4429 0.7230 -9.9595 -0.8962 3.3545 3.1210 3.1309 3.3288 -2.1114 -0.5076 -0.4071 -0.1707 -0.1415 0.0000 0.0000 0.0000 -0.3453 1.7859 1.7082 -0.4192 -0.1672 -0.5076 -0.3384 -2.0963 -2.1042 0.4850 18.8703 8.9574 59.6958 -0.3288 -0.1996 -0.6641 -0.6855 -0.8095 -0.5808 -0.5774 -0.7684 -0.3141 59.5267 24.1371 8.9320 0.3194 1.7615 0.5398 -0.4664 -0.6340 0 0 0.6560 -0.2309 -0.4733 -0.6358 0 0 0.4609 -0.2691 134.0000 -4.8947 0.0000 -0.1198 -0.1468 -0.7661 0.4122 -0.1292 -0.7061 0.9105 -10.0473 -0.3226 -0.3572 -0.4506 -1.3136 -0.4742 -56.2564 284 -0.5590 -0.5623 -0.8631 -0.7596 -0.8829 -0.8150 -0.9193 -0.8650 0.4706 4.1560 1.4245 3.4536 1.2394 -63.6824 -59.6907 134.0000 -114.2360 T0375TS415_5-scwrl 296 -10.9459 1.3381 1.3434 0.0574 0.2378 0.0215 -0.1756 1.5266 0.7872 -10.7568 -0.9409 3.5317 3.2015 3.2541 3.4657 -1.9833 -0.4763 -0.3564 -0.1530 -0.1296 1.0000 0.0000 0.0000 -0.9752 3.1011 1.8403 -0.4267 -0.1684 -0.5139 -0.3482 -0.9782 -0.9801 0.4198 15.2203 7.1532 47.6722 -0.2900 -0.4702 -0.5369 -0.5683 -0.6499 -0.4945 -0.5122 -0.8435 -0.7629 48.0646 19.4275 7.2121 0.3036 1.8940 0.5725 -0.4842 -0.6548 0 0 0.6086 -0.2587 -0.4803 -0.6529 0 0 0.3802 -0.3058 0.0000 -4.0737 0.0000 -0.1845 -0.1494 -0.6293 0.4189 -0.0327 -0.6858 0.9587 -11.1622 -0.3643 -0.2930 -0.4544 -1.2861 -0.4806 -56.3470 296 -0.5568 -0.5302 -0.8858 -0.7563 -0.8313 -0.7399 -0.9443 -0.8366 0.4610 4.2834 1.4547 3.5086 1.2552 -63.7669 -59.9694 0.0000 -112.9518 T0375TS038_4-scwrl 296 -10.5811 1.3530 1.3489 0.0338 0.2109 0.0098 -0.0697 1.4787 1.0101 -10.5068 -0.8577 3.4851 3.2804 3.3196 3.5075 -2.1251 -0.4979 -0.3797 -0.1703 -0.1519 1.0000 0.0000 0.0000 -0.4956 2.7740 1.7751 -0.4082 -0.1631 -0.4832 -0.2958 -0.9774 -0.9794 0.3564 19.6477 9.3968 62.6248 -0.2459 -0.3174 -0.5563 -0.5723 -0.6867 -0.5345 -0.5268 -0.5475 -0.7035 62.7143 25.2857 9.4103 0.4826 1.8878 0.5623 -0.4376 -0.6271 0 0 0.6801 -0.2275 -0.4382 -0.6274 0 0 0.4644 -0.2680 0.0000 -4.1149 0.0000 -0.1166 -0.1440 -0.6964 0.5878 -0.0264 -0.7027 0.9851 -10.8514 -0.5067 -0.2938 -0.3931 -1.2073 -0.4589 -53.6116 296 -0.5191 -0.5231 -0.8381 -0.7101 -0.8509 -0.7746 -0.9472 -0.8481 0.4543 4.2826 1.4546 3.6205 1.2866 -65.7939 -61.9496 0.0000 -111.1017 T0375TS469_1-scwrl 296 -10.5946 1.2383 1.2467 0.0709 0.2191 0.0273 -0.1379 1.5000 1.0946 -10.5676 -0.9436 3.5254 3.1902 3.2939 3.4520 -2.3556 -0.5684 -0.4047 -0.1549 -0.1187 1.0000 0.0000 1.9590 -0.5306 2.1898 1.8147 -0.4154 -0.1659 -0.4838 -0.2930 -0.9782 -0.9800 0.3418 16.0397 7.5237 50.1412 -0.3557 -0.3870 -0.5612 -0.5820 -0.7116 -0.5238 -0.5232 -0.7580 -0.7218 50.6682 20.5891 7.6028 0.5048 1.8233 0.5700 -0.4424 -0.6324 0 0 0.7022 -0.2231 -0.4413 -0.6321 0 0 0.4879 -0.2635 0.0000 -4.0717 0.0000 -0.1706 -0.1480 -0.6995 0.5101 -0.0587 -0.7736 1.0036 -10.8919 -0.3530 -0.3467 -0.4877 -1.2519 -0.4873 -57.2994 296 -0.5010 -0.5267 -0.7256 -0.6578 -0.7758 -0.7630 -0.8308 -0.8098 0.4495 3.7050 1.3097 2.9651 1.0869 -65.5405 -61.4436 0.0000 -110.9816 T0375TS213_1-scwrl 296 -10.9932 1.3264 1.3981 0.0811 0.2253 0.0021 -0.1474 1.5477 0.8784 -10.8716 -0.8938 3.5672 3.3176 3.3125 3.5333 -2.0393 -0.4879 -0.3343 -0.1510 -0.1225 1.0000 0.0000 2.7435 -0.4767 3.7214 1.8662 -0.4400 -0.1747 -0.5348 -0.3684 -0.9777 -0.9799 0.5245 15.7147 7.3745 49.1470 -0.3051 -0.3447 -0.4012 -0.4192 -0.5456 -0.4400 -0.4595 -0.4935 -0.6622 49.5508 20.0980 7.4351 0.3528 1.9593 0.5857 -0.5270 -0.6887 0 0 0.6292 -0.2499 -0.5319 -0.6901 0 0 0.4130 -0.2932 0.0000 -3.9952 0.0000 -0.1343 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