# cost function cost = # ( 15 * wet6.5(6.5, /log(length)) + 5 * near_backbone(9.65) + 5 * way_back(8.9) + 15 * dry5(5) + 25 * dry6.5(6.5) + 20 * dry8(8) + 5 * dry12(12) + 4 * phobic_fit + 5 * sidechain + 12 * n_ca_c + 15 * bad_peptide + 5 * bystroff + 70 * soft_clashes + 2 * backbone_clashes + 175 * break + 2 * pred_alpha2k + 2 * pred_alpha04 + 2 * pred_alpha06 + 10 * constraints + 5 * hbond_geom + 10 * hbond_geom_backbone + 50 * hbond_geom_beta + 100 * hbond_geom_beta_pair + 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 hbond_geom_beta hbond_geom_beta_pair 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 10N 10N T0370.try31-opt2.pdb.gz 154 0.5107 1.6310 1.6231 2.9372 3.0031 3.3302 3.5113 0.0515 -4.5387 0.3557 0.1212 -0.1531 0.0565 0.0130 0.0274 0.5710 0.3907 0.2879 0.0000 -0.6272 -0.4812 -0.2809 -0.2445 0.0000 174.9008 T0370.try51-opt2.pdb.gz 154 0.5176 1.6367 1.6097 2.9119 3.0056 3.3413 3.5076 -0.0863 -4.7466 0.3776 0.1196 -0.1734 0.0701 0.0195 0.0317 0.5760 0.3748 0.2847 0.0000 -0.5677 -0.4519 -0.2845 -0.2434 0.0000 175.5966 T0370.try50-opt2.pdb.gz 154 0.5056 1.6297 1.6033 2.9256 3.0281 3.3538 3.5484 0.1982 -4.7265 0.3513 0.1211 -0.1443 0.0540 0.0130 0.0327 0.4753 0.3125 0.1965 0.0000 -0.6147 -0.4904 -0.2795 -0.2436 0.0000 175.8178 T0370.try50-opt1.pdb.gz 154 0.5070 1.6329 1.6042 2.9263 3.0295 3.3576 3.5494 0.1991 -4.6493 0.3547 0.1196 -0.1395 0.0588 0.0130 0.0296 0.5319 0.3406 0.2214 0.0000 -0.6148 -0.4903 -0.2806 -0.2443 0.0000 176.2996 T0370.try31-opt1.pdb.gz 154 0.5173 1.6394 1.6279 2.9494 3.0303 3.3379 3.5131 0.0642 -4.5778 0.3681 0.1219 -0.1347 0.0588 0.0065 0.0285 0.5708 0.3906 0.2878 0.0000 -0.6148 -0.4773 -0.2794 -0.2445 0.0000 176.7024 T0370.try51-opt1.pdb.gz 154 0.5174 1.6378 1.6149 2.9145 3.0078 3.3427 3.5071 -0.0883 -4.6465 0.3750 0.1194 -0.1734 0.0843 0.0195 0.0324 0.5767 0.3770 0.2884 0.0000 -0.5734 -0.4522 -0.2851 -0.2438 0.0000 177.2364 chimera-47-31.pdb.gz 154 0.5201 1.6445 1.6181 2.9250 3.0134 3.3462 3.5103 -0.0799 -4.6377 0.3684 0.1205 -0.1734 0.0808 0.0195 0.0316 0.5776 0.3789 0.2910 0.0000 -0.5733 -0.4522 -0.2844 -0.2442 0.0000 177.3419 chimera-43-31.pdb.gz 154 0.5076 1.6324 1.6023 2.9294 3.0295 3.3594 3.5508 0.1971 -4.6043 0.3514 0.1213 -0.1344 0.0665 0.0390 0.0332 0.5314 0.3402 0.2209 0.0000 -0.6145 -0.4902 -0.2809 -0.2445 0.0000 177.7935 T0370.try30-opt2.pdb.gz 154 0.5102 1.6290 1.6040 2.9387 3.0771 3.3693 3.5500 0.1874 -4.6565 0.3694 0.1202 -0.1414 0.0547 0.0065 0.0308 0.5216 0.3308 0.2135 0.0000 -0.6167 -0.4931 -0.2799 -0.2446 0.0000 177.8437 T0370.try44-opt2.pdb.gz 154 0.5406 1.6436 1.6278 2.9038 2.9779 3.3218 3.5437 -0.1325 -5.2432 0.3378 0.1234 -0.1307 0.1021 0.0130 0.0308 0.3016 0.2316 0.1822 0.0000 -0.6595 -0.5051 -0.2248 -0.1939 0.0000 180.1428 T0370.try31-opt2.repack-nonPC.pdb.gz 154 0.5381 1.6310 1.6231 3.0414 3.0687 3.3836 3.5288 0.1167 -4.6250 0.3557 0.1212 -0.1531 0.0680 0.0130 0.0274 0.5710 0.3907 0.2879 0.0000 -0.6231 -0.4812 -0.2809 -0.2445 0.0000 180.3215 T0370.try30-opt1.pdb.gz 154 0.5110 1.6373 1.6014 2.9608 3.0548 3.3805 3.5542 0.2159 -4.8582 0.4314 0.1229 -0.1134 0.0748 0.0065 0.0384 0.5017 0.3060 0.1958 0.0000 -0.6223 -0.4896 -0.2788 -0.2432 0.0000 180.7403 T0370.try51-opt2.repack-nonPC.pdb.gz 154 0.5355 1.6367 1.6097 3.0448 3.0729 3.3996 3.5241 -0.0414 -4.8604 0.3776 0.1196 -0.1734 0.0802 0.0195 0.0317 0.5760 0.3748 0.2847 0.0000 -0.5769 -0.4519 -0.2845 -0.2434 0.0000 181.0621 T0370.try47-opt2.pdb.gz 154 0.5320 1.6464 1.6185 2.9290 3.0025 3.3071 3.4710 -0.2987 -5.3413 0.3476 0.1262 -0.1407 0.1002 0.0260 0.0354 0.3335 0.2879 0.2966 0.0000 -0.6189 -0.4559 -0.2310 -0.1895 0.0000 181.2098 T0370.try43-opt2.pdb.gz 154 0.5142 1.6402 1.6030 2.9388 3.0433 3.3710 3.5641 0.2227 -5.0144 0.3581 0.1201 -0.1175 0.1045 0.0065 0.0338 0.4875 0.3044 0.2052 0.0000 -0.5883 -0.4742 -0.2673 -0.2344 0.0000 181.4015 T0370.try44-opt1.pdb.gz 154 0.5385 1.6433 1.6359 2.9113 2.9869 3.3301 3.5488 -0.1231 -5.1557 0.3506 0.1229 -0.1273 0.1005 0.0065 0.0300 0.3174 0.2642 0.2224 0.0000 -0.6478 -0.5028 -0.2234 -0.1937 0.0000 181.4043 T0370.try45-opt2.pdb.gz 154 0.5277 1.6611 1.6294 2.8939 2.9879 3.3064 3.5118 -0.1973 -5.2581 0.3273 0.1229 -0.1323 0.1086 0.0260 0.0331 0.2899 0.2447 0.1946 0.0000 -0.6268 -0.4915 -0.2198 -0.1850 0.0000 181.5594 T0370.try50-opt2.repack-nonPC.pdb.gz 154 0.5173 1.6297 1.6033 3.0309 3.0893 3.4220 3.5671 0.2677 -4.8273 0.3513 0.1211 -0.1443 0.0747 0.0130 0.0327 0.4753 0.3125 0.1965 0.0000 -0.6213 -0.4904 -0.2795 -0.2436 0.0000 181.7527 T0370.try27-opt2.pdb.gz 154 0.5133 1.6431 1.6025 2.9432 3.0323 3.3690 3.5496 0.1981 -4.9358 0.4244 0.1294 -0.1164 0.1067 0.0065 0.0436 0.5037 0.3087 0.2011 0.0000 -0.6190 -0.4910 -0.2795 -0.2440 0.0000 182.3403 T0370.try30-opt2.repack-nonPC.pdb.gz 154 0.5235 1.6290 1.6040 3.0359 3.1181 3.4241 3.5726 0.2557 -4.7052 0.3694 0.1202 -0.1414 0.0710 0.0065 0.0308 0.5216 0.3308 0.2135 0.0000 -0.6336 -0.4931 -0.2799 -0.2446 0.0000 182.8251 T0370.try47-opt1.pdb.gz 154 0.5300 1.6536 1.6217 2.9277 3.0105 3.3107 3.4714 -0.2983 -5.2156 0.3612 0.1209 -0.1481 0.1185 0.0260 0.0343 0.3704 0.3153 0.3390 0.0000 -0.6179 -0.4567 -0.2304 -0.1892 0.0000 183.5164 T0370.try43-opt1.pdb.gz 154 0.5128 1.6400 1.6107 2.9431 3.0560 3.3723 3.5644 0.2156 -5.0474 0.3813 0.1178 -0.1076 0.1187 0.0065 0.0364 0.4969 0.3128 0.2033 0.0000 -0.5760 -0.4727 -0.2668 -0.2339 0.0000 183.5638 T0370.try41-opt2.pdb.gz 154 0.5358 1.6462 1.6306 2.9083 3.0042 3.3422 3.5495 -0.1221 -5.2721 0.3599 0.1246 -0.1353 0.1189 0.0130 0.0346 0.3050 0.2355 0.1871 0.0000 -0.6338 -0.4960 -0.2231 -0.1932 0.0000 183.6560 T0370.try45-opt1.pdb.gz 154 0.5311 1.6596 1.6326 2.9000 2.9952 3.3093 3.5132 -0.1947 -5.1359 0.3503 0.1179 -0.1323 0.1272 0.0260 0.0333 0.2909 0.2458 0.1958 0.0000 -0.6293 -0.4886 -0.2187 -0.1848 0.0000 184.2244 T0370.try34-opt2.pdb.gz 154 0.5102 1.6334 1.5968 2.9505 3.0550 3.3724 3.5635 0.2156 -5.0950 0.4317 0.1167 -0.1045 0.1300 0.0065 0.0366 0.4969 0.3128 0.2033 0.0000 -0.5837 -0.4724 -0.2668 -0.2338 0.0000 184.6825 T0370.try43-opt2.gromacs0.repack-nonPC.pdb.gz 154 0.5621 1.6436 1.6278 2.9782 3.0479 3.3532 3.5581 -0.1173 -5.2947 0.3378 0.1234 -0.1307 0.1212 0.0130 0.0308 0.3016 0.2316 0.1822 0.0000 -0.6552 -0.5051 -0.2248 -0.1939 0.0000 185.1938 T0370.try45-opt2.gromacs0.pdb.gz 154 0.5313 1.6823 1.6263 2.9608 3.0433 3.3161 3.5095 -0.1996 -4.0134 0.2493 0.2222 -0.1085 0.0180 0.0260 0.0154 0.7336 0.7946 0.8488 0.0000 -0.6109 -0.4847 -0.2191 -0.1842 0.0000 185.2785 T0370.try50-opt2.gromacs0.pdb.gz 154 0.5078 1.6565 1.6116 2.9874 3.0681 3.3692 3.5496 0.1953 -3.5956 0.2446 0.2304 -0.1077 0.0075 0.0065 0.0303 1.0202 0.8604 0.7393 0.0000 -0.6046 -0.4764 -0.2753 -0.2322 0.0000 185.5656 T0370.try51-opt2.gromacs0.pdb.gz 154 0.5230 1.6838 1.6350 2.9546 3.0459 3.3527 3.5105 -0.0898 -3.5211 0.2378 0.2393 -0.1233 0.0125 0.0000 0.0340 1.0423 0.8932 0.7965 0.0000 -0.5428 -0.4305 -0.2786 -0.2308 0.0000 185.6392 T0370.try39-opt2.pdb.gz 154 0.5302 1.6651 1.6305 2.8929 3.0019 3.3083 3.5116 -0.2032 -5.1660 0.3611 0.1243 -0.1316 0.1347 0.0260 0.0389 0.2793 0.2222 0.1674 0.0000 -0.6270 -0.4860 -0.2193 -0.1851 0.0000 185.6500 T0370.try37-opt2.pdb.gz 154 0.5346 1.6494 1.6210 2.9305 3.0108 3.3172 3.4718 -0.2860 -5.2053 0.3497 0.1281 -0.1466 0.1272 0.0260 0.0425 0.3726 0.3003 0.2765 0.0000 -0.6195 -0.4599 -0.2304 -0.1890 0.0000 185.6966 T0370.try27-opt1.pdb.gz 154 0.5239 1.6627 1.6075 2.9571 3.0554 3.3922 3.5630 0.2322 -4.9587 0.4273 0.1261 -0.1053 0.1144 0.0130 0.0451 0.5027 0.3106 0.2018 0.0000 -0.6189 -0.4852 -0.2773 -0.2358 0.0000 185.8115 T0370.try45-opt2.repack-nonPC.pdb.gz 154 0.5376 1.6611 1.6294 2.9917 3.0576 3.3501 3.5276 -0.1746 -5.2649 0.3273 0.1229 -0.1323 0.1087 0.0260 0.0331 0.2899 0.2447 0.1946 0.0000 -0.6355 -0.4915 -0.2198 -0.1850 0.0000 185.8859 T0370.try43-opt2.repack-nonPC.pdb.gz 154 0.5250 1.6402 1.6030 3.0172 3.1114 3.4315 3.5774 0.3088 -4.9286 0.3581 0.1201 -0.1175 0.0977 0.0065 0.0338 0.4875 0.3044 0.2052 0.0000 -0.5865 -0.4742 -0.2673 -0.2344 0.0000 186.0297 T0370.try34-opt1.pdb.gz 154 0.5153 1.6366 1.6046 2.9676 3.0620 3.3919 3.5666 0.2358 -4.9819 0.4480 0.1157 -0.1045 0.1221 0.0065 0.0370 0.4964 0.3123 0.2024 0.0000 -0.5939 -0.4701 -0.2650 -0.2319 0.0000 186.2450 T0370.try74-opt2.pdb.gz 154 0.5492 1.6584 1.6639 2.9459 3.0272 3.3678 3.5397 0.5825 -4.8072 0.4538 0.1833 -0.1929 0.0632 0.0260 0.0327 0.4990 0.3135 0.2233 0.0000 -0.4844 -0.3919 -0.2417 -0.2226 0.0000 186.8762 T0370.try47-opt2.repack-nonPC.pdb.gz 154 0.5549 1.6464 1.6185 3.0366 3.0464 3.3612 3.4817 -0.1491 -5.2544 0.3476 0.1262 -0.1407 0.1056 0.0260 0.0354 0.3335 0.2879 0.2966 0.0000 -0.5866 -0.4559 -0.2310 -0.1895 0.0000 186.9665 T0370.try73-opt2.pdb.gz 154 0.5424 1.6576 1.6527 2.9434 3.0260 3.3681 3.5360 0.5760 -4.9423 0.4844 0.1874 -0.2197 0.0767 0.0000 0.0338 0.4449 0.2881 0.1936 0.0000 -0.4838 -0.3947 -0.2444 -0.2221 0.0000 186.9958 T0370.try41-opt2.repack-nonPC.pdb.gz 154 0.5626 1.6462 1.6306 2.9847 3.0503 3.3735 3.5666 -0.0816 -5.3145 0.3599 0.1246 -0.1353 0.1193 0.0130 0.0346 0.3050 0.2355 0.1871 0.0000 -0.6441 -0.4960 -0.2231 -0.1932 0.0000 186.9967 T0370.try25-opt2.pdb.gz 154 0.5230 1.6495 1.6032 2.9673 3.0722 3.4053 3.5682 0.2486 -4.9126 0.4327 0.1117 -0.1071 0.1260 0.0130 0.0350 0.5083 0.3136 0.2059 0.0000 -0.6039 -0.4726 -0.2664 -0.2307 0.0000 187.0353 T0370.try45-opt2.gromacs0.repack-nonPC.pdb.gz 154 0.5554 1.6823 1.6263 3.0188 3.0754 3.3380 3.5196 -0.1587 -4.2504 0.2493 0.2222 -0.1085 0.0253 0.0260 0.0154 0.7336 0.7946 0.8488 0.0000 -0.6352 -0.4847 -0.2191 -0.1842 0.0000 187.1708 T0370.try31-opt2.gromacs0.pdb.gz 154 0.5140 1.6642 1.6329 2.9952 3.0417 3.3463 3.5150 0.0493 -3.5152 0.2395 0.2413 -0.1098 0.0106 0.0000 0.0432 1.0237 0.8840 0.7820 0.0000 -0.6089 -0.4604 -0.2767 -0.2317 0.0000 187.2514 T0370.try40-opt2.pdb.gz 154 0.5173 1.6477 1.6048 2.9183 3.0015 3.3395 3.5505 0.0320 -5.3251 0.3559 0.1237 -0.1284 0.1481 0.0130 0.0417 0.2742 0.2411 0.2250 0.0000 -0.6535 -0.4864 -0.2259 -0.1882 0.0000 187.2768 T0370.try27-opt2.repack-nonPC.pdb.gz 154 0.5154 1.6431 1.6025 3.0436 3.1047 3.4399 3.5693 0.3000 -4.8734 0.4244 0.1294 -0.1164 0.0959 0.0065 0.0436 0.5037 0.3087 0.2011 0.0000 -0.5968 -0.4910 -0.2795 -0.2440 0.0000 187.2830 T0370.try41-opt1.pdb.gz 154 0.5367 1.6568 1.6329 2.9165 3.0251 3.3649 3.5676 -0.0815 -5.0922 0.3614 0.1211 -0.1291 0.1200 0.0130 0.0346 0.3484 0.2825 0.2439 0.0000 -0.6325 -0.4900 -0.2192 -0.1847 0.0000 187.4569 T0370.try41-opt2.gromacs0.pdb.gz 154 0.5399 1.7102 1.6351 2.9803 3.0428 3.3519 3.5507 -0.1248 -3.9886 0.2161 0.2457 -0.1010 0.0190 0.0130 0.0234 0.7732 0.8266 0.8809 0.0000 -0.6331 -0.4864 -0.2228 -0.1931 0.0000 187.6403 T0370.try46-opt2.pdb.gz 154 0.5755 1.7106 1.6504 3.0457 3.0975 3.4868 3.6585 1.1492 -4.5088 0.2653 0.1778 -0.2051 0.0103 0.0065 0.0373 0.6707 0.4828 0.3765 0.0000 -0.6130 -0.4863 -0.2866 -0.2380 0.0000 187.7304 T0370.try74-opt1.pdb.gz 154 0.5417 1.6617 1.6539 2.9574 3.0453 3.3688 3.5356 0.5776 -4.8471 0.4744 0.1843 -0.1920 0.0835 0.0195 0.0258 0.5274 0.3397 0.2487 0.0000 -0.4732 -0.3883 -0.2401 -0.2213 0.0000 188.0746 T0370.try73-opt1.pdb.gz 154 0.5430 1.6574 1.6527 2.9633 3.0346 3.3738 3.5382 0.5760 -4.8872 0.4869 0.1889 -0.1972 0.0824 0.0130 0.0299 0.4991 0.3135 0.2233 0.0000 -0.4800 -0.3900 -0.2409 -0.2215 0.0000 188.3347 T0370.try44-opt2.gromacs0.pdb.gz 154 0.5422 1.6918 1.6296 2.9821 3.0122 3.3398 3.5486 -0.1302 -3.9628 0.2076 0.2486 -0.0727 0.0177 0.0130 0.0355 0.7533 0.8105 0.8667 0.0000 -0.6655 -0.4960 -0.2234 -0.1923 0.0000 188.4910 T0370.try47-opt2.gromacs0.pdb.gz 154 0.5371 1.6870 1.6338 2.9725 3.0416 3.3190 3.4764 -0.2992 -3.9905 0.2497 0.2460 -0.1158 0.0226 0.0130 0.0293 0.7633 0.8705 0.9386 0.0000 -0.6089 -0.4409 -0.2277 -0.1855 0.0000 188.4988 T0370.try37-opt2.gromacs0.pdb.gz 154 0.5363 1.6944 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