wet6 near way dry5 dry6 dry8 dry1 phob sidec n_ca bad_ byst soft_ bac break pre pre pre hbon hbon hbon hbon mayb miss cost .5 _bac _ba .5 2 ic_f hain _c pept roff clash kbo d_a d_a d_a d_ge d_ge d_ge d_ge e_me ing_ kbon ck it ide es ne_ lph lph lph om om_b om_b om_b tal atom e cla a2k a04 a06 ackb eta eta_ s she one pair s WEIGHTS--> 20.0 10.0 5.0 20.0 25.0 15.0 5.0 10.0 7.0 10.0 10.0 5.0 120.0 2.0 400.0 1.0 1.0 1.0 5.0 10.0 30.0 50.0 1.0 1.0 T0288.try9-opt2.pdb.gz 11.7 16.4 8.2 63.6 80.2 52.4 18.3 -5.1 -33.5 3.8 1.1 -1.2 3.6 0.0 2.7 0.7 0.6 0.6 -2.7 -4.0 -6.5 -6.7 0.0 0.0 204.31 T0288.try9-opt1.pdb.gz 12.0 16.4 8.2 63.7 80.4 52.5 18.3 -5.1 -34.0 4.0 1.1 -1.0 6.2 0.0 0.7 0.7 0.6 0.6 -2.7 -4.0 -6.5 -6.6 0.0 0.0 205.67 T0288.try5-opt2.gromacs0 11.7 16.5 8.3 65.1 80.9 52.6 18.3 -4.4 -31.5 2.7 2.1 -1.1 2.1 0.0 4.5 0.7 0.7 0.7 -2.6 -4.2 -7.1 -7.2 0.0 0.0 208.89 T0288.try9-opt2.repack-n 12.3 16.4 8.2 64.7 82.1 52.8 18.3 -4.7 -33.2 3.8 1.1 -1.2 4.2 0.0 2.7 0.7 0.6 0.6 -2.8 -4.0 -6.5 -6.7 0.0 0.0 209.38 T0288.try1-opt2.gromacs0 11.8 16.5 8.2 64.7 81.3 52.6 18.3 -4.7 -31.0 3.1 2.2 -1.0 4.7 0.0 2.2 0.7 0.7 0.7 -2.5 -4.1 -7.1 -7.3 0.0 0.0 210.34 T0288.try3-opt2.pdb.gz 12.6 16.2 8.2 63.5 80.8 53.1 18.5 -3.5 -35.3 4.0 0.9 -1.4 9.8 0.0 3.1 0.6 0.6 0.6 -2.8 -4.3 -7.3 -7.2 0.0 0.0 210.74 T0288.try5-opt2.pdb.gz 11.6 16.0 8.1 64.5 80.3 52.5 18.3 -4.4 -39.6 4.7 1.0 -1.6 9.2 0.0 11.1 0.2 0.2 0.2 -2.6 -4.2 -7.3 -7.3 0.0 0.0 211.02 T0288.try8-opt2.pdb.gz 11.9 16.4 8.2 64.1 80.6 52.5 18.3 -5.1 -32.3 4.2 1.0 -0.7 7.2 0.0 2.0 0.7 0.7 0.7 -2.6 -3.9 -6.3 -6.5 0.0 0.0 211.07 T0288.try3-opt2.gromacs0 12.8 16.3 8.3 64.3 81.2 53.1 18.5 -3.4 -30.6 2.5 2.1 -0.7 2.4 0.0 4.2 0.8 0.7 0.7 -2.8 -4.3 -7.2 -7.1 0.0 0.0 211.76 T0288.try7-opt2.pdb.gz 12.1 16.5 8.2 64.5 80.5 52.8 18.2 -5.6 -31.6 3.8 0.9 -0.7 9.0 0.0 0.5 0.7 0.6 0.7 -2.5 -4.0 -6.4 -6.4 0.0 0.0 211.84 T0288.try3-opt2.repack-n 12.7 16.2 8.2 64.2 82.8 54.2 18.6 -2.5 -32.7 4.0 0.9 -1.4 4.8 0.0 3.1 0.6 0.6 0.6 -2.8 -4.3 -7.3 -7.2 0.0 0.0 213.34 T0288.try5-opt1.pdb.gz 11.8 16.0 8.1 64.5 80.5 52.5 18.3 -4.5 -36.5 4.8 0.9 -1.4 11.8 0.0 7.3 0.4 0.4 0.4 -2.6 -4.2 -7.3 -7.4 0.0 0.0 213.94 T0288.try7-opt2.repack-n 12.5 16.5 8.2 65.0 81.3 53.3 18.3 -4.4 -28.7 3.8 0.9 -0.7 6.9 0.0 0.5 0.7 0.6 0.7 -2.5 -4.0 -6.4 -6.4 0.0 0.0 216.03 T0288.try8-opt2.repack-n 12.5 16.4 8.2 66.0 82.5 53.2 18.4 -4.2 -31.5 4.2 1.0 -0.7 5.5 0.0 2.0 0.7 0.7 0.7 -2.7 -3.9 -6.3 -6.5 0.0 0.0 216.12 T0288.try1-opt2.pdb.gz 11.8 16.1 8.2 64.5 80.4 52.6 18.3 -4.7 -35.4 4.7 0.9 -1.4 15.2 0.0 6.8 0.4 0.4 0.5 -2.6 -4.2 -7.3 -7.5 0.0 0.0 217.76 T0288.try8-opt2.gromacs0 11.8 16.6 8.3 64.0 81.1 52.6 18.4 -5.2 -30.2 3.5 2.3 -1.1 2.4 0.0 10.8 0.7 0.7 0.7 -2.7 -3.9 -6.3 -6.6 0.0 0.0 217.99 T0288.try5-opt2.repack-n 12.8 16.0 8.1 65.8 82.4 53.8 18.5 -4.0 -37.2 4.7 1.0 -1.6 8.2 0.0 11.1 0.2 0.2 0.2 -2.7 -4.2 -7.3 -7.3 0.0 0.0 218.76 T0288.try6-opt2.gromacs0 12.4 16.9 8.3 66.2 81.2 52.2 18.3 -2.8 -30.3 2.8 2.0 -1.3 0.3 0.0 11.0 0.8 0.7 0.8 -2.5 -3.8 -6.7 -7.4 0.0 0.0 219.21 T0288.try1-opt2.repack-n 12.8 16.1 8.2 65.5 82.5 53.9 18.4 -4.0 -33.7 4.7 0.9 -1.4 9.0 0.0 6.8 0.4 0.4 0.5 -2.7 -4.2 -7.3 -7.5 0.0 0.0 219.22 T0288.try9-opt2.gromacs0 11.8 16.5 8.1 64.1 80.6 52.4 18.3 -5.1 -29.3 3.1 2.4 -1.3 0.8 0.0 14.4 0.7 0.7 0.7 -2.6 -3.9 -6.4 -6.6 0.0 0.0 219.58 T0288.try3-opt1.pdb.gz 12.7 16.3 8.3 64.6 82.0 53.5 18.5 -2.9 -32.3 4.5 0.7 -0.6 11.1 0.0 2.4 0.6 0.6 0.6 -2.6 -4.1 -7.1 -6.9 0.0 0.0 219.92 T0288.try6-opt2.pdb.gz 12.2 16.6 8.3 65.0 80.3 51.9 18.3 -2.8 -34.2 11.5 0.8 -1.2 6.4 0.2 6.2 0.4 0.5 0.5 -2.5 -3.8 -6.7 -7.5 0.0 0.0 220.37 T0288.try8-opt1.pdb.gz 12.2 16.5 8.3 65.0 81.7 53.0 18.5 -4.4 -30.9 4.9 0.8 -0.5 12.0 0.0 0.0 0.7 0.7 0.7 -2.5 -3.8 -6.0 -5.5 0.0 0.0 221.35 T0288.try7-opt2.gromacs0 12.2 16.3 8.3 64.8 81.4 53.0 18.2 -5.6 -28.3 3.0 2.3 -0.9 2.0 0.0 12.4 0.7 0.7 0.7 -2.4 -3.8 -6.5 -6.4 0.0 0.0 222.29 T0288.try7-opt1.pdb.gz 12.2 16.3 8.2 65.5 81.8 53.3 18.3 -4.8 -29.5 4.0 0.8 -0.3 13.4 0.0 0.0 0.7 0.7 0.7 -2.4 -3.8 -6.0 -6.3 0.0 0.0 222.85 T0288.try1-opt1.pdb.gz 12.2 16.1 8.2 64.9 81.5 53.1 18.4 -4.7 -33.0 4.9 0.7 -0.9 17.4 0.0 3.6 0.5 0.5 0.5 -2.5 -4.1 -6.9 -7.1 0.0 0.0 223.41 T0288.try9-opt1-scwrl.pd 12.5 16.4 8.2 64.8 81.6 53.0 18.4 -4.6 -35.5 4.0 1.1 -1.0 22.1 0.0 0.7 0.7 0.6 0.6 -2.6 -4.0 -6.5 -6.6 0.0 0.0 224.09 T0288.try7-opt1-scwrl.pd 12.2 16.3 8.2 65.6 82.5 53.5 18.3 -4.7 -31.9 4.0 0.8 -0.3 17.2 0.0 0.0 0.7 0.7 0.7 -2.4 -3.8 -6.0 -6.3 0.0 0.0 225.29 T0288.try6-opt2.repack-n 12.5 16.6 8.3 67.3 82.1 53.0 18.4 -2.5 -32.7 11.5 0.8 -1.2 6.8 0.2 6.2 0.4 0.5 0.5 -2.4 -3.8 -6.7 -7.5 0.0 0.0 228.11 T0288.try6-opt1.pdb.gz 12.6 16.7 8.3 66.9 81.3 52.3 18.4 -2.5 -31.8 11.3 0.7 -1.2 7.9 0.2 5.8 0.5 0.5 0.5 -2.4 -3.6 -6.4 -7.1 0.0 0.0 228.96 T0288.try4-opt2.pdb.gz 12.0 15.6 7.9 64.0 80.4 52.2 17.9 -5.4 -33.9 4.4 1.2 -1.0 9.6 0.1 24.1 0.4 0.4 0.4 -2.5 -4.1 -7.3 -7.2 0.0 0.0 229.30 robetta-model1.pdb.gz 11.6 16.3 8.0 66.5 87.3 52.9 18.1 -6.7 -30.2 2.2 1.9 -1.5 2.6 0.0 16.0 0.8 0.6 0.7 -2.2 -3.3 -6.1 -6.3 0.0 0.0 229.34 T0288.try2-opt2.gromacs0 12.6 17.5 8.3 67.9 82.3 52.6 18.3 -3.9 -30.2 4.1 2.4 -1.2 1.0 0.1 22.2 0.7 0.6 0.7 -2.7 -4.2 -7.7 -9.1 0.0 0.0 232.30 T0288.try8-opt1-scwrl.pd 12.7 16.5 8.3 65.8 82.3 53.3 18.5 -4.1 -32.8 4.9 0.8 -0.5 23.7 0.0 0.0 0.7 0.7 0.7 -2.5 -3.8 -6.0 -5.5 0.0 0.0 233.67 T0288.try2-opt2.pdb.gz 12.6 17.0 8.4 66.9 82.2 52.7 18.3 -3.9 -39.1 3.8 1.3 -1.3 3.2 0.0 34.8 0.4 0.4 0.4 -2.7 -4.2 -7.8 -9.2 0.0 0.0 233.90 T0288.try4-opt2.gromacs0 11.8 16.1 8.0 64.4 81.5 52.3 18.0 -5.4 -24.5 8.5 2.4 -1.2 4.0 0.1 15.9 0.8 0.7 0.8 -2.5 -4.0 -7.0 -6.9 0.0 0.0 233.96 T0288.try4-opt2.repack-n 12.7 15.6 7.9 65.5 82.5 52.9 18.0 -4.9 -30.8 4.4 1.2 -1.0 6.8 0.1 24.1 0.4 0.4 0.4 -2.5 -4.1 -7.3 -7.2 0.0 0.0 235.33 T0288.try1-opt1-scwrl.pd 12.7 16.1 8.2 65.1 82.8 53.7 18.4 -4.5 -34.1 4.9 0.7 -0.9 29.8 0.0 3.6 0.5 0.5 0.5 -2.5 -4.1 -6.9 -7.1 0.0 0.0 237.64 T0288.try5-opt1-scwrl.pd 12.6 16.0 8.1 65.1 82.8 53.6 18.5 -4.2 -37.6 4.8 0.9 -1.4 31.6 0.0 7.3 0.4 0.4 0.4 -2.5 -4.2 -7.3 -7.4 0.0 0.0 237.95 T0288.try3-opt1-scwrl.pd 12.6 16.3 8.3 65.0 82.8 53.9 18.5 -2.6 -33.9 4.5 0.7 -0.6 29.2 0.0 2.4 0.6 0.6 0.6 -2.5 -4.1 -7.1 -6.9 0.0 0.0 238.32 robetta-model4.pdb.gz 12.7 16.4 8.5 68.5 86.9 53.9 18.3 -2.6 -30.4 1.8 1.8 -1.8 1.7 0.0 16.8 0.9 0.7 0.7 -2.5 -3.2 -5.5 -4.2 0.0 0.0 239.51 T0288.try2-opt1.pdb.gz 12.6 16.9 8.5 66.7 82.7 53.3 18.5 -3.7 -34.3 3.9 1.2 -1.1 6.3 0.0 30.0 0.5 0.5 0.5 -2.7 -4.2 -7.6 -8.9 0.0 0.0 239.56 T0288.try4-opt1.pdb.gz 12.4 15.8 7.9 64.4 82.0 52.8 18.0 -5.2 -33.1 4.7 1.1 -0.7 14.2 0.1 24.2 0.4 0.4 0.4 -2.4 -4.0 -7.0 -6.9 0.0 0.0 239.56 T0288.try2-opt2.repack-n 12.6 17.0 8.4 68.3 83.4 53.2 18.4 -3.6 -35.8 3.8 1.3 -1.3 2.8 0.0 34.8 0.4 0.4 0.4 -2.6 -4.2 -7.8 -9.2 0.0 0.0 240.53 T0288.try6-opt1-scwrl.pd 13.0 16.7 8.3 66.9 82.2 52.9 18.5 -2.4 -34.0 11.3 0.7 -1.2 23.8 0.2 5.8 0.5 0.5 0.5 -2.5 -3.6 -6.4 -7.1 0.0 0.0 244.65 robetta-model5.pdb.gz 12.3 16.6 8.2 67.3 85.3 53.1 18.1 -5.3 -26.7 2.2 2.1 -1.5 1.7 0.0 30.8 0.7 0.6 0.6 -2.3 -3.4 -6.2 -6.4 -1.0 0.0 246.82 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