# cost function cost = # ( 15 * wet6.5(6.5, /log(length)) + 5 * near_backbone(9.65) + 5 * way_back(8.9) + 15 * dry5(5) + 40 * dry6.5(6.5) + 35 * dry8(8) + 5 * dry12(12) + 2 * phobic_fit + 5 * sidechain + 5 * n_ca_c + 10 * bad_peptide + 5 * bystroff + 80 * soft_clashes + 2 * backbone_clashes + 200 * break + 2 * pred_alpha2k + 2 * pred_alpha04 + 2 * pred_alpha06 + 10 * constraints + 5 * hbond_geom + 10 * hbond_geom_backbone + 1 * missing_atoms ) name length wet6.5 near_backbone way_back dry5 dry6.5 dry8 dry12 phobic_fit sidechain n_ca_c bad_peptide bystroff soft_clashes backbone_clashes break pred_alpha2k pred_alpha04 pred_alpha06 constraints hbond_geom hbond_geom_backbone missing_atoms 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 T0368.try19-opt1.pdb 174 0.5339 1.6193 1.6507 2.8412 2.8773 3.3068 3.5184 0.6101 -6.4788 0.2219 0.0772 -0.1444 0.0402 0.0115 0.0039 -0.2865 -0.2279 -0.2268 0.0000 -0.7553 -0.6594 0.0000 277.5586 T0368.try14-opt2.pdb.gz 174 0.5339 1.6177 1.6486 2.8428 2.8795 3.3076 3.5188 0.6124 -6.5006 0.2215 0.0798 -0.1441 0.0447 0.0115 0.0062 -0.2910 -0.2308 -0.2353 0.0000 -0.7592 -0.6602 0.0000 278.3535 T0368.try15-opt2.pdb.gz 174 0.5582 1.6131 1.6892 2.8484 2.9141 3.3347 3.5774 0.1381 -6.5350 0.1654 0.1257 -0.0919 0.0392 0.0057 0.0100 -0.4005 -0.3304 -0.3143 0.0000 -0.7959 -0.6737 0.0000 280.3312 T0368.try20-opt2.pdb.gz 174 0.5542 1.6121 1.7154 2.8700 2.8865 3.3283 3.5696 0.2280 -6.1406 0.2078 0.1826 -0.0784 0.0229 0.0057 0.0055 -0.3707 -0.1974 -0.2024 0.0000 -0.8193 -0.6671 0.0000 280.6615 T0368.try14-opt1.pdb.gz 174 0.5382 1.6165 1.6493 2.8606 2.9057 3.3242 3.5245 0.6075 -6.4956 0.2257 0.0788 -0.1420 0.0574 0.0115 0.0062 -0.2912 -0.2310 -0.2355 0.0000 -0.7523 -0.6534 0.0000 281.5036 T0368.try21-opt2.pdb.gz 174 0.5575 1.5616 1.6200 2.8447 2.9026 3.2381 3.5118 -0.2118 -6.0745 0.1367 0.0755 -0.0913 0.0493 0.0287 0.0110 0.0983 0.1596 0.1285 0.0000 -0.6449 -0.5488 0.0000 282.3902 T0368.try22-opt2.pdb.gz 174 0.5312 1.5687 1.6150 2.8570 2.8579 3.2708 3.5485 0.5430 -6.3063 0.1923 0.1421 -0.0767 0.0730 0.0172 0.0185 -0.2913 -0.2211 -0.2287 0.0000 -0.6736 -0.6000 0.0000 283.5560 T0368.try14-opt2.repack-nonPC.pdb.gz 174 0.5523 1.6177 1.6486 2.8670 2.9504 3.3711 3.5362 0.6125 -6.4835 0.2215 0.0798 -0.1441 0.0423 0.0115 0.0062 -0.2910 -0.2308 -0.2353 0.0000 -0.7239 -0.6602 0.0000 284.1986 T0368.try20-opt1.pdb.gz 174 0.5551 1.6179 1.7141 2.8869 2.9340 3.3660 3.5840 0.2153 -6.1375 0.2048 0.1843 -0.0784 0.0226 0.0057 0.0055 -0.3725 -0.1980 -0.2033 0.0000 -0.7983 -0.6695 0.0000 284.2851 T0368.try1-opt2.pdb.gz 174 0.5417 1.6155 1.6557 2.8683 2.9169 3.3399 3.5282 0.6248 -6.5191 0.2184 0.0834 -0.1460 0.0879 0.0172 0.0102 -0.3383 -0.3270 -0.3128 0.0000 -0.7432 -0.6592 0.0000 285.4213 T0368.try15-opt1.pdb.gz 174 0.5696 1.6156 1.6977 2.8930 2.9447 3.3894 3.6037 0.2543 -6.3988 0.1694 0.1397 -0.0757 0.0372 0.0057 0.0095 -0.3936 -0.3039 -0.2905 0.0000 -0.7735 -0.6621 0.0000 285.7447 T0368.try15-opt2.repack-nonPC.pdb.gz 174 0.5693 1.6131 1.6892 2.9232 2.9446 3.3940 3.6035 0.2324 -6.4959 0.1654 0.1257 -0.0919 0.0460 0.0057 0.0100 -0.4005 -0.3304 -0.3143 0.0000 -0.8066 -0.6737 0.0000 285.9212 T0368.try14-opt2.gromacs0.pdb.gz 174 0.5383 1.6114 1.6523 2.8715 2.8991 3.3150 3.5190 0.6106 -5.8037 0.1250 0.2146 -0.1198 0.0107 0.0115 0.0227 -0.0949 -0.0516 -0.0660 0.0000 -0.7602 -0.6504 0.0000 286.1088 T0368.try20-opt2.repack-nonPC.pdb.gz 174 0.5694 1.6121 1.7154 2.9009 2.9638 3.3887 3.5962 0.2679 -6.2926 0.2078 0.1826 -0.0784 0.0218 0.0057 0.0055 -0.3707 -0.1974 -0.2024 0.0000 -0.7814 -0.6671 0.0000 286.1189 T0368.try15-opt2.gromacs0.pdb.gz 174 0.5616 1.6257 1.7156 2.8896 2.9372 3.3493 3.5771 0.1383 -5.8819 0.1355 0.2212 -0.0774 0.0212 0.0172 0.0145 -0.3241 -0.0818 -0.0896 0.0000 -0.7934 -0.6669 0.0000 287.4467 T0368.try21-opt1.pdb.gz 174 0.5544 1.5608 1.6388 2.8905 2.9417 3.2470 3.5125 -0.2302 -5.8534 0.1631 0.0665 -0.0914 0.0670 0.0402 0.0114 0.0991 0.1608 0.1296 0.0000 -0.6224 -0.5352 0.0000 287.8894 T0368.try1-opt2.gromacs0.pdb.gz 174 0.5429 1.6083 1.6685 2.8873 2.9360 3.3495 3.5310 0.6261 -5.8728 0.1345 0.2029 -0.1121 0.0221 0.0115 0.0141 -0.0944 -0.0459 -0.0596 0.0000 -0.7374 -0.6504 0.0000 288.2126 T0368.try1-opt2.repack-nonPC.pdb.gz 174 0.5631 1.6155 1.6557 2.8795 2.9683 3.3979 3.5589 0.6597 -6.4157 0.2184 0.0834 -0.1460 0.0612 0.0172 0.0102 -0.3383 -0.3270 -0.3128 0.0000 -0.7318 -0.6592 0.0000 288.6573 T0368.try2-opt2.pdb.gz 174 0.5541 1.6145 1.7196 2.8556 2.9480 3.3842 3.5969 0.2927 -6.4740 0.2040 0.0689 -0.0787 0.1022 0.0057 0.0111 -0.4160 -0.3179 -0.3104 0.0000 -0.7981 -0.6817 0.0000 289.2052 T0368.try3-opt2.pdb.gz 174 0.5442 1.5739 1.6764 2.8217 2.9041 3.3323 3.5725 0.1176 -6.2199 0.1716 0.0792 -0.1175 0.1429 0.0402 0.0131 -0.2839 -0.3121 -0.3076 0.0000 -0.6923 -0.6351 0.0000 290.1085 T0368.try1-opt2.gromacs0.repack-nonPC.pdb.gz 174 0.5632 1.6083 1.6685 2.8750 2.9660 3.3743 3.5445 0.6549 -5.9085 0.1345 0.2029 -0.1121 0.0197 0.0115 0.0141 -0.0944 -0.0459 -0.0596 0.0000 -0.7186 -0.6504 0.0000 290.2473 T0368.try20-opt2.gromacs0.pdb.gz 174 0.5567 1.6314 1.7146 2.8812 2.9037 3.3421 3.5698 0.2259 -5.5424 0.1497 0.2688 -0.0774 0.0132 0.0057 0.0280 -0.3160 -0.0734 -0.0783 0.0000 -0.7965 -0.6447 0.0000 290.3680 T0368.try3-opt2.repack-nonPC.pdb.gz 174 0.5640 1.5739 1.6764 2.8590 2.9660 3.3573 3.5894 0.1314 -6.3808 0.1716 0.0792 -0.1175 0.1086 0.0402 0.0131 -0.2839 -0.3121 -0.3076 0.0000 -0.7232 -0.6351 0.0000 290.7196 T0368.try14-opt2.gromacs0.repack-nonPC.pdb.gz 174 0.5588 1.6114 1.6523 2.8688 2.9519 3.3607 3.5371 0.5909 -5.8483 0.1250 0.2146 -0.1198 0.0194 0.0115 0.0227 -0.0949 -0.0516 -0.0660 0.0000 -0.7145 -0.6504 0.0000 290.8357 T0368.try15-opt2.gromacs0.repack-nonPC.pdb.gz 174 0.5727 1.6257 1.7156 2.9170 2.9626 3.3960 3.5970 0.2254 -5.9146 0.1355 0.2212 -0.0774 0.0251 0.0172 0.0145 -0.3241 -0.0818 -0.0896 0.0000 -0.7863 -0.6669 0.0000 291.1303 T0368.try3-opt2.gromacs0.pdb.gz 174 0.5442 1.5749 1.6829 2.8456 2.9265 3.3386 3.5738 0.1189 -5.3844 0.1987 0.2135 -0.0990 0.0416 0.0172 0.0177 -0.1400 -0.1642 -0.1677 0.0000 -0.6764 -0.6169 0.0000 291.2657 T0368.try2-opt2.repack-nonPC.pdb.gz 174 0.5715 1.6145 1.7196 2.9345 2.9762 3.4183 3.6154 0.3690 -6.4454 0.2040 0.0689 -0.0787 0.0797 0.0057 0.0111 -0.4160 -0.3179 -0.3104 0.0000 -0.7990 -0.6817 0.0000 291.5627 T0368.try2-opt2.gromacs0.pdb.gz 174 0.5609 1.6279 1.7243 2.8935 2.9635 3.3980 3.5978 0.2931 -5.8030 0.1133 0.2072 -0.0711 0.0263 0.0115 0.0163 -0.3278 -0.0782 -0.0886 0.0000 -0.7847 -0.6620 0.0000 291.7507 T0368.try3-opt2.gromacs0.repack-nonPC.pdb.gz 174 0.5562 1.5749 1.6829 2.8505 2.9630 3.3633 3.5886 0.1127 -5.6531 0.1987 0.2135 -0.0990 0.0415 0.0172 0.0177 -0.1400 -0.1642 -0.1677 0.0000 -0.7159 -0.6169 0.0000 292.3559 T0368.try1-opt1.pdb.gz 174 0.5428 1.6124 1.6584 2.9147 2.9535 3.3769 3.5403 0.6892 -6.1700 0.1933 0.0833 -0.1165 0.1213 0.0172 0.0038 -0.1827 -0.1519 -0.1507 0.0000 -0.7097 -0.6509 0.0000 293.4592 T0368.try22-opt1.pdb.gz 174 0.5384 1.5741 1.6296 2.8812 2.9159 3.3696 3.6324 0.9889 -6.1922 0.2022 0.1511 -0.0691 0.0996 0.0172 0.0142 -0.2632 -0.1428 -0.1549 0.0000 -0.6719 -0.5960 0.0000 293.6465 T0368.try7-opt2.pdb.gz 174 0.5487 1.5968 1.6850 2.7963 2.9162 3.3375 3.5848 1.5367 -6.4068 0.2148 0.0983 -0.1536 0.1152 0.0460 0.0368 -0.2815 -0.3204 -0.3148 0.0000 -0.7265 -0.6440 0.0000 295.0545 T0368.try4-opt2.pdb.gz 174 0.5396 1.5308 1.6430 2.8434 2.9602 3.4828 3.6934 2.1000 -6.6053 0.2567 0.0798 -0.1166 0.0836 0.0115 0.0184 -0.4282 -0.4057 -0.4063 0.0000 -0.7947 -0.6919 0.0000 295.0816 T0368.try2-opt2.gromacs0.repack-nonPC.pdb.gz 174 0.5878 1.6279 1.7243 2.9534 2.9808 3.4382 3.6186 0.3163 -5.9070 0.1133 0.2072 -0.0711 0.0336 0.0115 0.0163 -0.3278 -0.0782 -0.0886 0.0000 -0.7630 -0.6620 0.0000 295.4745 T0368.try12-opt2.pdb.gz 174 0.5509 1.6581 1.6906 2.8305 2.9347 3.2778 3.4948 -0.5833 -6.1360 0.2812 0.0975 -0.1558 0.1676 0.0747 0.0255 -0.1532 -0.2252 -0.2278 0.0000 -0.6443 -0.5494 0.0000 295.5344 T0368.try12-opt2.repack-nonPC.pdb.gz 174 0.5580 1.6581 1.6906 2.8976 2.9810 3.3173 3.4981 -0.5455 -5.8314 0.2812 0.0975 -0.1558 0.1016 0.0747 0.0255 -0.1532 -0.2252 -0.2278 0.0000 -0.6309 -0.5494 0.0000 296.2813 T0368.try12-opt2.gromacs0.pdb.gz 174 0.5512 1.6806 1.6994 2.8743 2.9518 3.2857 3.5012 -0.5813 -4.6356 0.1455 0.2224 -0.1169 0.0407 0.0345 0.0194 0.2600 0.1293 0.1271 0.0000 -0.6374 -0.5321 0.0000 296.6061 T0368.try4-opt2.repack-nonPC.pdb.gz 174 0.5382 1.5308 1.6430 2.9149 2.9984 3.5219 3.7157 2.1591 -6.6848 0.2567 0.0798 -0.1166 0.0654 0.0115 0.0184 -0.4282 -0.4057 -0.4063 0.0000 -0.7926 -0.6919 0.0000 297.4186 T0368.try7-opt2.repack-nonPC.pdb.gz 174 0.5569 1.5968 1.6850 2.8849 2.9729 3.3950 3.6074 1.5230 -6.4397 0.2148 0.0983 -0.1536 0.0748 0.0460 0.0368 -0.2815 -0.3204 -0.3148 0.0000 -0.7254 -0.6440 0.0000 297.4828 T0368.try4-opt2.gromacs0.pdb.gz 174 0.5418 1.5681 1.6477 2.8894 2.9727 3.4883 3.6965 2.0985 -5.8145 0.1695 0.1914 -0.0870 0.0292 0.0172 0.0143 -0.1665 -0.0888 -0.1162 0.0000 -0.7771 -0.6746 0.0000 298.3337 T0368.try7-opt2.gromacs0.pdb.gz 174 0.5476 1.6137 1.6716 2.8368 2.9442 3.3503 3.5859 1.5361 -5.2084 0.1550 0.2145 -0.1124 0.0325 0.0287 0.0339 -0.0067 -0.0493 -0.0530 0.0000 -0.7294 -0.6257 0.0000 298.8519 T0368.try2-opt1.pdb.gz 174 0.5677 1.6305 1.7080 2.9156 3.0204 3.4885 3.6711 0.8821 -6.4910 0.2281 0.0685 -0.0736 0.1113 0.0057 0.0081 -0.4080 -0.2498 -0.2523 0.0000 -0.7689 -0.6857 0.0000 299.0023 T0368.try4-opt2.gromacs0.repack-nonPC.pdb.gz 174 0.5419 1.5681 1.6477 2.9236 3.0025 3.5246 3.7013 2.0109 -5.9757 0.1695 0.1914 -0.0870 0.0284 0.0172 0.0143 -0.1665 -0.0888 -0.1162 0.0000 -0.7449 -0.6746 0.0000 300.4470 T0368.try16-opt2.pdb.gz 174 0.5414 1.6433 1.7096 2.8196 3.0048 3.5704 3.7636 2.4230 -6.4134 0.1877 0.0816 -0.1724 0.0625 0.0057 0.0118 -0.1238 -0.2075 -0.2065 0.0000 -0.7734 -0.6602 0.0000 300.6527 T0368.try19-opt1-scwrl.pdb 174 0.5566 1.6193 1.6507 2.8981 2.9920 3.3864 3.5424 0.6151 -6.8080 0.2219 0.0772 -0.1444 0.2437 0.0115 0.0039 -0.2865 -0.2279 -0.2268 0.0000 -0.7067 -0.6594 0.0000 301.1371 T0368.try11-opt2.gromacs0.pdb.gz 174 0.5303 1.5881 1.6477 2.8184 2.9681 3.4568 3.6893 4.2969 -6.1142 0.1252 0.1909 -0.0800 0.0441 0.0287 0.0143 -0.1764 0.0265 -0.0042 0.0000 -0.7030 -0.6162 0.0000 301.1831 T0368.try7-opt1.pdb.gz 174 0.5689 1.5899 1.6946 2.8340 2.9497 3.3703 3.6063 1.5360 -6.3435 0.2270 0.0954 -0.1215 0.1487 0.0460 0.0336 -0.2288 -0.2694 -0.2669 0.0000 -0.7472 -0.6420 0.0000 301.2963 T0368.try11-opt2.pdb.gz 174 0.5320 1.5610 1.6146 2.7975 2.9631 3.4524 3.6894 4.2976 -6.8376 0.1822 0.1017 -0.1049 0.1186 0.0402 0.0220 -0.4097 -0.3139 -0.3234 0.0000 -0.7158 -0.6266 0.0000 301.4699 T0368.try7-opt2.gromacs0.repack-nonPC.pdb.gz 174 0.5775 1.6137 1.6716 2.8912 2.9843 3.3958 3.6139 1.5118 -5.3926 0.1550 0.2145 -0.1124 0.0203 0.0287 0.0339 -0.0067 -0.0493 -0.0530 0.0000 -0.7175 -0.6257 0.0000 301.5632 T0368.try12-opt2.gromacs0.repack-nonPC.pdb.gz 174 0.5648 1.6806 1.6994 2.9177 3.0047 3.3255 3.5087 -0.5533 -4.5855 0.1455 0.2224 -0.1169 0.0452 0.0345 0.0194 0.2600 0.1293 0.1271 0.0000 -0.5991 -0.5321 0.0000 301.8703 T0368.try22-opt1-scwrl.pdb.gz 174 0.5564 1.5741 1.6296 2.8885 2.9460 3.3894 3.6429 1.0014 -6.3498 0.2022 0.1511 -0.0691 0.1865 0.0172 0.0142 -0.2632 -0.1428 -0.1549 0.0000 -0.6585 -0.5960 0.0000 302.2319 T0368.try15-opt1-scwrl.pdb.gz 174 0.5823 1.6156 1.6977 2.9260 2.9725 3.4313 3.6094 0.2193 -6.7189 0.1694 0.1397 -0.0757 0.2349 0.0057 0.0095 -0.3936 -0.3039 -0.2905 0.0000 -0.7603 -0.6621 0.0000 303.2429 T0368.try6-opt2.pdb.gz 174 0.5708 1.5956 1.6791 2.8444 2.9812 3.4683 3.6706 0.6179 -6.4710 0.2200 0.0996 -0.1366 0.1329 0.0287 0.0362 -0.2481 -0.2837 -0.2775 0.0000 -0.7078 -0.6260 0.0000 303.3919 T0368.try16-opt2.repack-nonPC.pdb.gz 174 0.5478 1.6433 1.7096 2.8795 3.0526 3.5797 3.7637 2.4229 -6.3776 0.1877 0.0816 -0.1724 0.0505 0.0057 0.0118 -0.1238 -0.2075 -0.2065 0.0000 -0.7151 -0.6602 0.0000 303.4028 T0368.try14-opt1-scwrl.pdb.gz 174 0.5586 1.6165 1.6493 2.9252 3.0155 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