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 10.0 5.0 10.0 50.0 100.0 1.0 0.5 1.0 T0360.try2-opt2.pdb.gz 8.4 7.7 8.0 43.4 59.5 51.0 18.6 1.7 -31.1 1.3 1.2 -0.5 2.6 0.1 2.9 -0.3 -0.3 -0.4 -5.7 -3.4 -5.4 -3.3 -2.2 0.0 0.0 0.0 153.81 T0360.try1-opt2.pdb.gz 8.2 8.0 8.1 43.5 60.6 51.9 18.8 1.6 -32.0 1.2 0.9 -0.8 1.8 0.0 0.7 -0.3 -0.3 -0.3 -1.9 -3.5 -5.3 -2.8 -2.2 0.0 0.0 0.0 155.91 T0360.try2-opt2.repack-n 8.5 7.7 8.0 44.0 60.0 51.3 18.6 1.7 -28.6 1.3 1.2 -0.5 2.0 0.1 2.9 -0.3 -0.3 -0.4 -5.8 -3.3 -5.4 -3.3 -2.2 0.0 0.0 0.0 157.16 T0360.try1-opt2.repack-n 8.2 8.0 8.1 44.4 61.1 52.2 18.8 1.7 -30.7 1.2 0.9 -0.8 1.1 0.0 0.7 -0.3 -0.3 -0.3 -1.9 -3.4 -5.3 -2.8 -2.2 0.0 0.0 0.0 158.53 T0360.try2-opt1.pdb.gz 8.4 7.7 8.0 44.0 59.9 51.4 18.7 1.9 -29.9 1.5 1.1 -0.5 3.5 0.1 1.9 -0.2 -0.2 -0.3 -3.0 -3.2 -5.1 -3.1 -2.2 0.0 0.0 0.0 160.32 T0360.try1-opt2.gromacs0 8.2 8.1 8.3 43.7 61.0 51.9 18.8 1.6 -29.0 0.9 1.9 -0.5 0.5 0.0 0.6 0.2 0.2 0.2 -1.9 -3.5 -5.2 -2.7 -2.1 0.0 0.0 0.0 161.12 T0360.try2-opt1-scwrl.pd 8.7 7.7 8.0 44.7 60.5 51.8 18.7 1.9 -30.6 1.5 1.1 -0.5 4.3 0.1 1.9 -0.2 -0.2 -0.3 -3.0 -3.1 -5.1 -3.1 -2.2 0.0 0.0 0.0 162.55 T0360.try1-opt2.gromacs0 8.3 8.1 8.3 44.3 61.3 52.2 18.8 1.7 -27.4 0.9 1.9 -0.5 0.3 0.0 0.6 0.2 0.2 0.2 -1.9 -3.4 -5.2 -2.7 -2.1 0.0 0.0 0.0 164.21 T0360.try1-opt1.pdb.gz 8.5 8.1 8.2 44.3 61.6 52.4 18.8 1.5 -29.9 1.3 0.8 -0.6 2.9 0.0 0.3 -0.0 0.0 -0.0 -0.1 -3.3 -5.2 -2.7 -2.2 0.0 0.0 0.0 164.65 T0360.try2-opt2.gromacs0 8.5 7.7 8.1 44.3 60.1 51.0 18.6 1.7 -23.7 1.0 2.2 -0.4 0.6 0.1 2.0 0.3 0.4 0.3 -3.7 -3.3 -5.1 -3.1 -1.8 0.0 0.0 0.0 165.41 T0360.try2-opt2.gromacs0 8.7 7.7 8.1 44.0 60.5 51.1 18.6 1.7 -23.9 1.0 2.2 -0.4 0.7 0.1 2.0 0.3 0.4 0.3 -3.7 -3.4 -5.1 -3.1 -1.8 0.0 0.0 0.0 165.75 T0360.try1-opt1-scwrl.pd 8.5 8.1 8.2 44.3 62.2 52.3 18.9 1.6 -30.1 1.3 0.8 -0.6 3.7 0.0 0.3 -0.0 0.0 -0.0 -0.2 -3.2 -5.2 -2.7 -2.2 0.0 0.0 0.0 165.84