# cost function cost = # ( 15 * wet6.5(6.5, /log(length)) + 5 * near_backbone(9.65) + 5 * way_back(8.9) + 15 * dry5(5) + 20 * dry6.5(6.5) + 15 * dry8(8) + 5 * dry12(12) + 2 * phobic_fit + 10 * n_ca_c + 20 * bad_peptide + 5 * sidechain + 8 * bystroff + 80 * soft_clashes + 2 * backbone_clashes + 300 * break + 3 * pred_alpha2k + 4 * pred_alpha04 + 5 * pred_alpha06 + 5 * hbond_geom + 10 * hbond_geom_backbone + 10 * hbond_geom_beta + 10 * hbond_geom_beta_pair + 1 * missing_atoms ) name length wet6.5 near_backbone way_back dry5 dry6.5 dry8 dry12 phobic_fit n_ca_c bad_peptide sidechain bystroff soft_clashes backbone_clashes break pred_alpha2k pred_alpha04 pred_alpha06 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 T0359.try5-opt2.pdb.gz 97 0.5609 1.6061 1.5996 3.1554 3.1649 3.4180 3.6798 -0.5927 0.3700 0.2151 -4.9231 -0.2939 0.0128 0.0412 0.0178 0.4906 0.5047 0.4448 -0.5880 -0.4219 -0.2774 -0.2031 0.0000 184.8016 T0359.try5-opt1.pdb.gz 97 0.5687 1.6326 1.6150 3.1833 3.1833 3.4360 3.6823 -0.6010 0.3885 0.2202 -4.8338 -0.2715 0.0147 0.0412 0.0182 0.4851 0.5094 0.4496 -0.5502 -0.4189 -0.2745 -0.2068 0.0000 187.5843 T0359.try5-opt2.repack-nonPC.pdb.gz 97 0.6034 1.6061 1.5996 3.2670 3.2166 3.4603 3.7015 -0.6048 0.3700 0.2151 -4.6315 -0.2939 0.0141 0.0412 0.0178 0.4906 0.5047 0.4448 -0.5356 -0.4219 -0.2774 -0.2031 0.0000 190.6867 T0359.try3-opt1.pdb.gz 97 0.5586 1.5793 1.6139 3.1631 3.2008 3.4296 3.6805 -0.6015 0.3668 0.1795 -5.2068 -0.2705 0.0745 0.0206 0.0287 0.4858 0.5144 0.4548 -0.5353 -0.4382 -0.2917 -0.2095 0.0000 191.8542 T0359.try4-opt2.pdb.gz 97 0.5677 1.6015 1.5838 3.1797 3.1669 3.4247 3.6747 -0.6042 0.4613 0.2379 -4.8292 -0.2459 0.0227 0.0309 0.0341 0.4699 0.4684 0.4084 -0.5529 -0.4390 -0.2918 -0.2133 0.0000 192.4993 T0359.try4-opt1.pdb.gz 97 0.5602 1.6257 1.6153 3.2199 3.2088 3.4416 3.6864 -0.5806 0.4664 0.2274 -4.6073 -0.2533 0.0345 0.0309 0.0235 0.4699 0.4684 0.4084 -0.5642 -0.4331 -0.2895 -0.2118 0.0000 193.1683 T0359.try2-opt2.pdb.gz 97 0.5590 1.5857 1.6216 3.1622 3.2025 3.4283 3.6815 -0.6027 0.3691 0.1788 -5.2074 -0.2705 0.0856 0.0206 0.0302 0.4858 0.5144 0.4548 -0.5331 -0.4371 -0.2908 -0.2098 0.0000 193.3034 T0359.try3-opt2.pdb.gz 97 0.5829 1.5755 1.6112 3.1296 3.1632 3.3975 3.6709 -0.5995 0.3595 0.1830 -5.0578 -0.2798 0.0678 0.0206 0.0420 0.5404 0.6009 0.5258 -0.5368 -0.4384 -0.2926 -0.2097 0.0000 195.3501 T0359.try2-opt1.pdb.gz 97 0.5585 1.5833 1.6337 3.1831 3.2064 3.4310 3.6828 -0.5974 0.3406 0.1731 -5.1122 -0.2705 0.1002 0.0206 0.0322 0.4860 0.5145 0.4550 -0.4954 -0.4242 -0.2799 -0.1914 0.0000 196.2275 T0359.try2-opt2.repack-nonPC.pdb.gz 97 0.6003 1.5857 1.6216 3.2272 3.2424 3.4615 3.6963 -0.6002 0.3691 0.1788 -4.9655 -0.2705 0.0840 0.0206 0.0302 0.4858 0.5144 0.4548 -0.5161 -0.4371 -0.2908 -0.2098 0.0000 197.4344 T0359.try4-opt2.repack-nonPC.pdb.gz 97 0.5938 1.6015 1.5838 3.2737 3.2575 3.4935 3.7132 -0.6100 0.4613 0.2379 -4.7637 -0.2459 0.0231 0.0309 0.0341 0.4699 0.4684 0.4084 -0.5190 -0.4390 -0.2918 -0.2133 0.0000 197.8546 T0359.try5-opt1-scwrl.pdb.gz 97 0.5936 1.6326 1.6150 3.2464 3.2492 3.4807 3.7022 -0.6046 0.3885 0.2202 -5.0825 -0.2715 0.1298 0.0412 0.0182 0.4851 0.5094 0.4496 -0.5110 -0.4189 -0.2745 -0.2068 0.0000 199.1451 T0359.try3-opt2.repack-nonPC.pdb.gz 97 0.5957 1.5755 1.6112 3.2294 3.2541 3.4520 3.6936 -0.5998 0.3595 0.1830 -4.9389 -0.2798 0.0610 0.0206 0.0420 0.5404 0.6009 0.5258 -0.5245 -0.4384 -0.2926 -0.2097 0.0000 199.8990 T0359.try3-opt1-scwrl.pdb.gz 97 0.5747 1.5793 1.6139 3.2241 3.2410 3.4509 3.6988 -0.6258 0.3668 0.1795 -5.3378 -0.2705 0.1669 0.0206 0.0287 0.4858 0.5144 0.4548 -0.5187 -0.4382 -0.2917 -0.2095 0.0000 200.9906 T0359.try2-opt2.gromacs0.pdb.gz 97 0.5622 1.6214 1.6237 3.2266 3.2224 3.4584 3.6886 -0.5992 0.2811 0.2559 -3.9944 -0.2531 0.0271 0.0206 0.0315 0.7149 0.8059 0.7215 -0.5565 -0.4236 -0.2820 -0.2058 0.0000 201.2794 T0359.try1-opt2.pdb.gz 97 0.5657 1.5838 1.6455 3.1731 3.1778 3.4259 3.6681 -0.6598 0.3106 0.1818 -5.0719 -0.2540 0.1376 0.0206 0.0435 0.4463 0.4867 0.4246 -0.4844 -0.4133 -0.2689 -0.1912 0.0000 201.8880 T0359.try5-opt2.gromacs0.pdb.gz 97 0.5712 1.6223 1.6088 3.2042 3.1925 3.4169 3.6872 -0.5935 0.2396 0.2812 -4.1701 -0.2840 0.0087 0.0206 0.0500 0.7022 0.7925 0.7067 -0.5752 -0.4159 -0.2736 -0.2009 0.0000 202.8145 T0359.try4-opt1-scwrl.pdb.gz 97 0.5943 1.6257 1.6153 3.2434 3.2545 3.4740 3.7008 -0.6006 0.4664 0.2274 -5.0307 -0.2533 0.1541 0.0309 0.0235 0.4699 0.4684 0.4084 -0.5153 -0.4331 -0.2895 -0.2118 0.0000 203.1547 T0359.try1-opt2.repack-nonPC.pdb.gz 97 0.5774 1.5838 1.6455 3.2160 3.2216 3.4348 3.6792 -0.6604 0.3106 0.1818 -4.6985 -0.2540 0.1160 0.0206 0.0435 0.4463 0.4867 0.4246 -0.5048 -0.4133 -0.2689 -0.1912 0.0000 203.8116 T0359.try2-opt1-scwrl.pdb.gz 97 0.5741 1.5833 1.6337 3.2073 3.2487 3.4534 3.7007 -0.6161 0.3406 0.1731 -5.1741 -0.2705 0.1853 0.0206 0.0322 0.4860 0.5145 0.4550 -0.5004 -0.4242 -0.2799 -0.1914 0.0000 204.5307 T0359.try4-opt2.gromacs0.pdb.gz 97 0.5800 1.6342 1.6155 3.2276 3.1917 3.4301 3.6760 -0.6060 0.2399 0.2856 -3.9219 -0.2488 0.0105 0.0206 0.0491 0.7066 0.7949 0.7100 -0.5367 -0.4221 -0.2824 -0.2079 0.0000 204.9967 T0359.try2-opt2.gromacs0.repack-nonPC.pdb.gz 97 0.5985 1.6214 1.6237 3.2943 3.2685 3.4917 3.7107 -0.6015 0.2811 0.2559 -3.9248 -0.2531 0.0312 0.0206 0.0315 0.7149 0.8059 0.7215 -0.5087 -0.4236 -0.2820 -0.2058 0.0000 205.2906 T0359.try1-opt2.gromacs0.pdb.gz 97 0.5655 1.6231 1.6542 3.2030 3.2255 3.4516 3.6770 -0.6528 0.2602 0.2703 -4.3608 -0.2480 0.0415 0.0206 0.0497 0.6428 0.7187 0.6241 -0.4968 -0.4094 -0.2681 -0.1895 0.0000 205.5203 T0359.try5-opt2.gromacs0.repack-nonPC.pdb.gz 97 0.5792 1.6223 1.6088 3.2375 3.2599 3.4686 3.7075 -0.5922 0.2396 0.2812 -4.0944 -0.2840 0.0102 0.0206 0.0500 0.7022 0.7925 0.7067 -0.5231 -0.4159 -0.2736 -0.2009 0.0000 206.4224 T0359.try1-opt2.gromacs0.repack-nonPC.pdb.gz 97 0.5844 1.6231 1.6542 3.2295 3.2212 3.4584 3.6814 -0.6455 0.2602 0.2703 -4.1928 -0.2480 0.0403 0.0206 0.0497 0.6428 0.7187 0.6241 -0.5004 -0.4094 -0.2681 -0.1895 0.0000 206.9777 T0359.try3-opt2.gromacs0.pdb.gz 97 0.5834 1.6455 1.6047 3.1953 3.1998 3.4238 3.6797 -0.5955 0.2465 0.2580 -3.8805 -0.2160 0.0259 0.0412 0.0540 0.7081 0.8022 0.7139 -0.5412 -0.4193 -0.2802 -0.2043 0.0000 207.4902 T0359.try4-opt2.gromacs0.repack-nonPC.pdb.gz 97 0.5918 1.6342 1.6155 3.2832 3.2692 3.4954 3.7021 -0.5946 0.2399 0.2856 -3.9480 -0.2488 0.0130 0.0206 0.0491 0.7066 0.7949 0.7100 -0.5186 -0.4221 -0.2824 -0.2079 0.0000 208.8482 T0359.try3-opt2.gromacs0.repack-nonPC.pdb.gz 97 0.5912 1.6455 1.6047 3.2882 3.2881 3.4836 3.7079 -0.5939 0.2465 0.2580 -3.9529 -0.2160 0.0323 0.0412 0.0540 0.7081 0.8022 0.7139 -0.5171 -0.4193 -0.2802 -0.2043 0.0000 212.0752 T0359.try1-opt1.pdb.gz 97 0.5725 1.5966 1.6251 3.2270 3.2228 3.4391 3.6844 -0.6659 0.3352 0.1896 -4.6929 -0.2149 0.1696 0.0515 0.0558 0.5142 0.5181 0.4555 -0.4643 -0.3938 -0.2571 -0.1778 0.0000 213.8761 T0359.try1-opt1-scwrl.pdb.gz 97 0.5892 1.5966 1.6251 3.2385 3.2506 3.4603 3.6937 -0.6749 0.3352 0.1896 -5.0136 -0.2149 0.2960 0.0515 0.0558 0.5142 0.5181 0.4555 -0.4743 -0.3938 -0.2571 -0.1778 0.0000 223.6594