wet6 nea way dry5 dry6 dry8 dry1 pho sidec n_c bad_ byst soft bac break pre pre pre hbon hbon hbon hbond mis cost .5 r_b _ba .5 2 bic hain a_c pept roff _cla kbo d_a d_a d_a d_ge d_ge d_ge _geom sin ack ck _fi ide shes ne_ lph lph lph om om_b om_b _beta g_a bon t cla a2k a04 a06 ackb eta _pair tom e she one s s WEIGHTS--> 15.0 5.0 5.0 15.0 20.0 15.0 5.0 1.0 10.0 5.0 10.0 5.0 80.0 2.0 200.0 3.0 4.0 5.0 5.0 10.0 50.0 100.0 1.0 T0295.try7-opt2.pdb.gz 7.6 8.0 8.1 45.0 58.5 47.0 17.0 2.6 -56.8 2.1 1.6 -0.9 3.6 0.0 10.5 0.3 0.4 0.2 -3.2 -5.0 -7.0 -11.2 0.0 128.31 T0295.try7-opt1.pdb.gz 7.6 8.0 8.1 45.1 58.5 46.9 17.0 2.5 -56.4 2.1 1.7 -1.0 3.7 0.0 10.7 0.3 0.4 0.3 -3.2 -5.0 -7.0 -11.2 0.0 129.18 T0295.try6-opt2.pdb.gz 7.6 8.0 8.1 45.1 58.5 47.0 17.0 2.6 -56.4 2.1 1.7 -1.0 3.8 0.0 11.1 0.3 0.4 0.3 -3.2 -5.0 -7.0 -11.2 0.0 129.77 T0295.try6-opt1.pdb.gz 7.7 8.0 8.2 45.2 58.7 47.1 17.0 2.6 -54.9 2.1 1.7 -1.1 4.1 0.0 10.5 0.4 0.6 0.4 -3.2 -5.0 -7.0 -11.2 0.0 131.79 T0295.try5-opt2.pdb.gz 7.7 8.0 8.1 45.2 58.7 47.2 17.0 2.6 -54.6 2.1 1.7 -1.1 4.2 0.0 10.4 0.5 0.6 0.6 -3.2 -5.0 -7.0 -11.2 0.0 132.70 T0295.try7-opt2.repack-n 7.6 8.0 8.1 45.9 59.2 47.2 16.9 2.6 -53.7 2.1 1.6 -0.9 3.6 0.0 10.5 0.3 0.4 0.2 -3.3 -5.0 -7.0 -11.2 0.0 133.15 T0295.try6-opt2.repack-n 7.6 8.0 8.1 46.0 59.2 47.2 16.9 2.5 -53.6 2.1 1.7 -1.0 3.9 0.0 11.1 0.3 0.4 0.3 -3.3 -5.0 -7.0 -11.2 0.0 134.26 T0295.try2-opt2.pdb.gz 7.8 8.2 8.3 45.0 59.2 47.9 17.3 1.6 -55.0 2.4 1.6 -0.9 7.4 0.0 9.2 0.4 0.3 0.3 -3.3 -5.1 -7.0 -11.2 0.0 134.36 T0295.try5-opt1.pdb.gz 7.7 8.0 8.1 45.4 58.8 47.2 17.0 2.6 -53.9 2.1 1.7 -1.1 5.4 0.0 10.4 0.5 0.6 0.6 -3.1 -5.0 -7.0 -11.2 0.0 134.78 T0295.try2-opt2.repack-n 7.7 8.2 8.3 46.0 60.2 48.4 17.4 1.6 -52.5 2.4 1.6 -0.9 4.5 0.0 9.2 0.4 0.3 0.3 -3.2 -5.1 -7.0 -11.2 0.0 136.39 T0295.try4-opt2.pdb.gz 7.7 8.0 8.1 45.3 58.8 47.2 17.0 2.6 -53.2 2.1 1.7 -1.1 6.6 0.0 10.4 0.5 0.6 0.6 -3.1 -5.0 -7.0 -11.2 0.0 136.78 T0295.try5-opt2.repack-n 7.6 8.0 8.1 46.1 59.6 47.3 17.0 2.6 -51.3 2.1 1.7 -1.1 4.0 0.0 10.4 0.5 0.6 0.6 -3.3 -5.0 -7.0 -11.2 0.0 137.49 T0295.try4-opt2.repack-n 7.6 8.0 8.1 46.2 59.7 47.4 17.0 2.6 -49.9 2.1 1.7 -1.1 4.8 0.0 10.4 0.5 0.6 0.6 -3.3 -5.0 -7.0 -11.2 0.0 139.92 T0295.try2-opt1.pdb.gz 7.8 8.2 8.2 45.4 59.4 48.0 17.3 1.7 -51.8 2.4 1.7 -1.1 9.8 0.0 9.4 0.6 0.6 0.6 -3.1 -4.9 -6.9 -11.1 0.0 142.27 T0295.try4-opt1.pdb.gz 7.6 8.1 8.1 45.5 59.5 47.5 17.0 2.8 -53.0 1.9 1.8 -1.1 10.4 0.0 13.5 0.6 0.8 0.7 -3.0 -4.8 -6.9 -11.2 0.0 145.80 T0295.try7-opt2.gromacs0 7.6 8.0 8.2 45.3 59.1 47.1 17.0 2.6 -40.6 1.2 2.4 -0.9 1.0 0.0 9.6 1.9 2.4 2.8 -3.2 -5.0 -7.0 -11.1 0.0 148.33 T0295.try5-opt2.gromacs0 7.7 8.1 8.1 45.4 59.3 47.2 17.0 2.6 -40.4 1.3 2.4 -1.0 1.2 0.0 9.5 1.9 2.4 2.8 -3.2 -4.9 -6.9 -11.1 0.0 149.37 T0295.try6-opt2.gromacs0 7.6 8.1 8.2 45.3 58.9 47.1 16.9 2.5 -40.0 1.3 2.4 -0.9 1.1 0.0 10.4 1.9 2.4 2.7 -3.2 -5.0 -7.0 -11.1 0.0 149.63 T0295.try2-opt2.gromacs0 7.8 8.3 8.3 45.3 59.6 48.0 17.3 1.6 -41.9 1.3 2.4 -1.0 2.4 0.0 10.0 1.7 2.3 2.6 -3.3 -4.9 -6.9 -11.2 0.0 149.63 T0295.try1-opt2.repack-n 7.6 8.1 8.1 46.6 60.8 47.8 17.1 2.9 -48.7 1.9 1.8 -1.1 6.2 0.0 14.2 0.6 0.8 0.8 -3.0 -4.7 -6.6 -10.8 0.0 150.42 T0295.try4-opt2.gromacs0 7.7 8.1 8.1 45.6 59.4 47.3 17.0 2.6 -40.5 1.2 2.4 -0.9 2.1 0.0 9.5 1.9 2.4 2.7 -3.2 -4.9 -6.9 -11.1 0.0 150.46 T0295.try1-opt2.pdb.gz 7.7 8.1 8.1 45.9 59.7 47.5 17.1 2.9 -51.1 1.9 1.8 -1.1 12.0 0.0 14.2 0.6 0.8 0.8 -3.0 -4.7 -6.6 -10.8 0.0 151.89 T0295.try7-opt1-scwrl.pd 7.8 8.0 8.1 46.8 60.7 47.6 17.0 2.5 -57.6 2.1 1.7 -1.0 22.9 0.0 10.7 0.3 0.4 0.3 -3.1 -5.0 -7.0 -11.2 0.0 152.19 T0295.try6-opt1-scwrl.pd 7.8 8.0 8.2 46.8 60.7 47.6 17.0 2.5 -56.1 2.1 1.7 -1.1 22.5 0.0 10.5 0.4 0.6 0.4 -3.1 -5.0 -7.0 -11.2 0.0 153.36 T0295.try5-opt1-scwrl.pd 7.7 8.0 8.1 46.9 60.9 47.7 17.0 2.6 -55.8 2.1 1.7 -1.1 22.0 0.0 10.4 0.5 0.6 0.6 -3.1 -5.0 -7.0 -11.2 0.0 153.82 T0295.try2-opt1-scwrl.pd 7.9 8.2 8.2 46.4 61.1 48.4 17.4 1.7 -54.9 2.4 1.7 -1.1 21.7 0.0 9.4 0.6 0.6 0.6 -3.1 -4.9 -6.9 -11.1 0.0 154.36 T0295.try1-opt2.gromacs0 7.7 8.2 8.1 46.2 60.2 47.6 17.1 2.8 -39.2 1.2 2.5 -0.9 3.3 0.0 10.2 1.8 2.4 2.8 -3.0 -4.6 -6.5 -10.7 0.0 157.20 T0295.try4-opt1-scwrl.pd 7.7 8.1 8.1 46.8 61.1 47.9 17.1 2.8 -55.4 1.9 1.8 -1.1 22.0 0.0 13.5 0.6 0.8 0.7 -2.9 -4.8 -6.9 -11.2 0.0 158.45 T0295.try1-opt1.pdb.gz 7.7 8.1 8.1 46.6 61.0 47.9 17.1 3.0 -48.6 1.3 2.0 -1.1 18.4 0.1 15.0 1.1 1.4 1.5 -2.8 -4.5 -6.1 -10.1 0.0 166.98 T0295.try1-opt1-scwrl.pd 7.8 8.1 8.1 46.9 61.8 48.2 17.2 3.0 -50.2 1.3 2.0 -1.1 24.6 0.1 15.0 1.1 1.4 1.5 -2.8 -4.5 -6.1 -10.1 0.0 173.08