wet6 nea way dry5 dry6 dry8 dry1 pho sidec n_c bad_ byst soft bac brea pred pred pred cons hbon hbon hbon hbond mis may may cost .5 r_b _ba .5 2 bic hain a_c pept roff _cla kbo k _alp _alp _alp trai d_ge d_ge d_ge _geom sin be_ be_ ack ck _fi ide shes ne_ ha2k ha04 ha06 nts om om_b om_b _beta g_a met ssb bon t cla ackb eta _pair tom al ond e she one s s WEIGHTS--> 15.0 5.0 5.0 15.0 20.0 15.0 5.0 2.0 5.0 5.0 10.0 5.0 20.0 2.0 50.0 2.0 2.0 2.0 20.0 5.0 10.0 50.0 100.0 1.0 0.5 1.0 T0367.try2-opt2.pdb.gz 8.0 7.5 7.8 43.3 57.6 49.4 18.0 1.5 -31.7 0.7 0.9 -0.5 1.3 0.1 0.5 -0.6 -0.8 -0.8 -7.4 -3.9 -6.4 -0.7 0.0 0.0 0.0 0.0 143.89 T0367.try2-opt1.pdb.gz 8.1 7.5 7.8 43.4 57.7 49.4 18.0 1.5 -32.0 0.7 0.9 -0.6 1.4 0.1 0.9 -0.8 -1.0 -1.0 -7.4 -3.7 -6.3 -0.7 0.0 0.0 0.0 0.0 144.05 T0367.try1-opt2.pdb.gz 8.1 7.5 7.9 43.5 57.8 49.4 18.0 1.5 -31.7 0.7 0.9 -0.6 1.6 0.1 1.0 -0.8 -1.0 -1.0 -7.3 -3.7 -6.3 -0.6 0.0 0.0 0.0 0.0 145.02 T0367.try1-opt2.repack-n 7.9 7.5 7.9 44.8 58.9 50.0 18.1 1.4 -31.0 0.7 0.9 -0.6 0.9 0.1 1.0 -0.8 -1.0 -1.0 -7.3 -3.6 -6.3 -0.6 0.0 0.0 0.0 0.0 147.95 T0367.try2-opt2.repack-n 8.0 7.5 7.8 44.8 59.2 50.1 18.1 1.5 -30.2 0.7 0.9 -0.5 1.0 0.1 0.5 -0.6 -0.8 -0.8 -7.4 -3.6 -6.4 -0.7 0.0 0.0 0.0 0.0 149.20 T0367.try2-opt1-scwrl.pd 8.3 7.5 7.8 45.4 59.2 50.6 18.2 1.6 -33.2 0.7 0.9 -0.6 3.5 0.1 0.9 -0.8 -1.0 -1.0 -7.3 -3.7 -6.3 -0.7 0.0 0.0 0.0 0.0 150.00 T0367.try1-opt1.pdb.gz 8.3 7.6 7.9 44.3 58.9 50.5 18.1 1.6 -30.0 0.9 0.9 -0.5 2.9 0.1 0.9 -0.6 -0.7 -0.7 -7.3 -3.4 -6.1 -0.7 0.0 0.0 0.0 0.0 152.83 T0367.try2-opt2.gromacs0 8.1 7.6 7.9 43.6 58.1 49.6 18.0 1.5 -25.9 0.7 1.9 -0.5 0.3 0.0 0.9 -0.2 -0.2 -0.2 -7.3 -3.8 -6.1 -0.6 0.0 0.0 0.0 0.0 153.37 T0367.try1-opt2.gromacs0 8.2 7.6 8.0 43.7 58.0 49.5 18.0 1.5 -25.8 0.7 1.9 -0.5 0.4 0.0 0.7 -0.2 -0.3 -0.2 -7.3 -3.7 -6.0 -0.6 0.0 0.0 0.0 0.0 153.55 T0367.try1-opt1-scwrl.pd 8.5 7.6 7.9 44.7 59.5 50.9 18.1 1.6 -30.3 0.9 0.9 -0.5 4.5 0.1 0.9 -0.6 -0.7 -0.7 -7.3 -3.5 -6.1 -0.7 0.0 0.0 0.0 0.0 155.74 T0367.try2-opt2.gromacs0 8.3 7.6 7.9 44.6 59.0 50.0 18.1 1.5 -26.1 0.7 1.9 -0.5 0.2 0.0 0.9 -0.2 -0.2 -0.2 -7.3 -3.6 -6.1 -0.6 0.0 0.0 0.0 0.0 155.89 T0367.try1-opt2.gromacs0 8.0 7.6 8.0 44.9 59.1 50.1 18.2 1.5 -25.5 0.7 1.9 -0.5 0.2 0.0 0.7 -0.2 -0.3 -0.2 -7.3 -3.6 -6.0 -0.6 0.0 0.0 0.0 0.0 156.48