wet6 nea way dry5 dry6 dry8 dry1 phob sidec n_ca bad_ byst soft bac brea pre pre pre cons hbon hbon hbond hbond mis may may cost .5 r_b _ba .5 2 ic_f hain _c pept roff _cla kbo k d_a d_a d_a trai d_ge d_ge _geom _geom sin be_ be_ ack ck it ide shes ne_ lph lph lph nts om om_b _beta _beta g_a met ssb bon cla a2k a04 a06 ackb _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 T0306.try20-opt2.pdb.gz 9.6 8.7 8.6 45.1 63.3 53.8 19.1 -1.2 -29.6 1.7 1.6 -1.4 2.3 0.1 2.5 0.6 0.5 0.5 0.0 -3.0 -4.7 -11.3 -20.2 0.0 0.0 0.0 146.68 T0306.try20-opt1.pdb.gz 9.4 8.7 8.6 45.4 64.0 54.1 19.2 -1.3 -29.7 1.8 1.6 -1.3 2.5 0.1 2.8 0.6 0.5 0.5 0.0 -2.9 -4.7 -11.3 -20.1 0.0 0.0 0.0 148.65 T0306.try27-opt2.pdb.gz 9.8 9.0 8.6 47.3 62.7 53.7 18.7 1.2 -22.7 3.0 2.3 -0.6 3.7 0.2 4.8 1.3 1.4 1.4 0.0 -2.6 -3.9 -18.6 -31.6 0.0 0.0 0.0 149.07 T0306.try18-opt2.pdb.gz 9.4 8.7 8.6 45.5 64.1 54.2 19.2 -1.2 -30.0 1.7 1.7 -1.2 2.7 0.1 3.2 0.6 0.5 0.5 0.0 -2.9 -4.6 -11.1 -20.2 0.0 0.0 0.0 149.57 T0306.try20-opt2.repack- 9.4 8.7 8.6 46.5 64.0 54.3 19.2 -1.2 -28.2 1.7 1.6 -1.4 2.1 0.1 2.5 0.6 0.5 0.5 0.0 -2.8 -4.7 -11.3 -20.2 0.0 0.0 0.0 150.67 T0306.try20-opt1-scwrl.p 9.8 8.7 8.6 46.7 63.9 54.2 19.1 -1.3 -30.1 1.8 1.6 -1.3 3.5 0.1 2.8 0.6 0.5 0.5 0.0 -2.8 -4.7 -11.3 -20.1 0.0 0.0 0.0 150.99 T0306.try18-opt2.repack- 9.7 8.7 8.6 46.8 64.1 54.2 19.2 -1.1 -28.5 1.7 1.7 -1.2 2.1 0.1 3.2 0.6 0.5 0.5 0.0 -2.8 -4.6 -11.1 -20.2 0.0 0.0 0.0 152.26 T0306.try26-opt2.pdb.gz 9.4 8.8 8.4 47.3 63.2 53.4 18.6 -0.7 -26.4 2.2 1.9 -1.1 3.3 0.1 2.9 1.2 1.3 1.3 0.0 -2.3 -3.2 -13.5 -22.6 0.0 0.0 0.0 153.47 T0306.try5-opt2.pdb.gz 9.7 8.6 8.7 45.7 63.3 53.2 18.8 -1.3 -28.3 2.0 1.6 0.1 4.3 0.1 2.5 1.1 0.9 0.9 0.0 -3.2 -4.9 -11.4 -18.6 0.0 0.0 0.0 153.51 T0306.try27-opt2.repack- 10.1 9.0 8.6 49.0 64.1 54.5 18.8 1.5 -20.6 3.0 2.3 -0.6 2.7 0.2 4.8 1.3 1.4 1.4 0.0 -2.6 -3.9 -18.6 -31.6 0.0 0.0 0.0 154.78 T0306.try26-opt2.repack- 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0.0 0.0 0.0 160.09 T0306.try18-opt1-scwrl.p 9.9 8.9 8.7 47.0 65.2 54.4 19.1 -1.2 -28.9 1.8 1.8 -1.1 5.6 0.1 3.1 1.5 1.2 1.2 0.0 -2.8 -4.5 -10.9 -20.0 0.0 0.0 0.0 160.17 T0306.try27-opt1.pdb.gz 9.9 9.1 8.6 48.2 63.9 53.9 18.7 1.2 -20.7 3.2 2.3 -0.3 5.3 0.2 4.5 1.7 1.9 1.9 0.0 -2.3 -3.6 -17.3 -29.4 0.0 0.0 0.0 160.74 T0306.try4-opt2.pdb.gz 8.9 8.4 8.4 48.0 64.7 54.0 19.0 -0.4 -28.0 2.3 1.6 -1.5 3.8 0.2 4.0 0.6 0.6 0.6 0.0 -2.0 -3.0 -10.9 -18.1 0.0 0.0 0.0 161.17 T0306.try19-opt2.pdb.gz 9.6 8.4 8.6 47.1 64.3 53.6 18.9 -1.3 -26.7 1.0 2.0 -0.2 1.2 0.1 3.0 1.3 1.2 1.2 0.0 -2.2 -3.7 -10.1 -15.9 0.0 0.0 0.0 161.35 T0306.try13-opt1.pdb.gz 9.6 8.6 8.8 49.0 66.6 55.3 19.1 -1.4 -26.3 2.1 2.0 -0.3 2.5 0.1 4.4 0.5 0.4 0.4 0.0 -2.4 -3.7 -12.7 -20.7 0.0 0.0 0.0 162.03 T0306.try17-opt2.pdb.gz 9.5 8.4 8.7 48.0 64.1 53.6 18.9 -1.3 -27.5 1.0 2.0 -0.1 2.4 0.1 2.9 1.3 1.2 1.2 0.0 -2.3 -3.6 -9.9 -15.9 0.0 0.0 0.0 162.53 T0306.try26-opt1.pdb.gz 9.4 8.9 8.5 48.6 64.5 53.8 18.7 -0.6 -25.9 2.2 2.0 -1.1 4.2 0.0 2.5 1.7 1.8 1.7 0.0 -1.9 -3.0 -12.5 -20.8 0.0 0.0 0.0 162.70 T0306.try12-opt2.pdb.gz 9.8 8.5 8.7 48.9 66.8 55.6 19.2 -1.4 -26.6 2.2 2.0 -0.3 2.7 0.1 4.4 0.5 0.4 0.4 0.0 -2.4 -3.7 -12.6 -20.6 0.0 0.0 0.0 162.72 T0306.try19-opt1.pdb.gz 9.5 8.3 8.7 47.8 64.2 53.6 18.8 -1.3 -26.6 1.0 2.0 -0.2 1.9 0.1 3.2 1.3 1.2 1.2 0.0 -2.2 -3.6 -10.0 -15.8 0.0 0.0 0.0 162.97 T0306.try15-opt2.repack- 9.7 8.4 8.5 48.5 63.9 54.1 19.0 -1.2 -26.7 1.9 2.2 -0.6 3.3 0.1 6.9 0.9 0.8 0.8 0.0 -2.4 -4.2 -11.4 -19.6 0.0 0.0 0.0 163.12 T0306.try27-opt2.gromacs 10.0 9.2 8.6 48.9 64.2 54.1 18.7 1.4 -13.7 2.0 2.7 -0.1 0.6 0.1 2.5 3.3 3.3 3.3 0.0 -2.5 -3.8 -18.2 -31.0 0.0 0.0 0.0 163.41 T0306.try26-opt1-scwrl.p 9.5 8.9 8.5 49.1 64.7 54.1 18.7 -0.7 -26.1 2.2 2.0 -1.1 4.1 0.0 2.5 1.7 1.8 1.7 0.0 -2.0 -3.0 -12.5 -20.8 0.0 0.0 0.0 163.54 T0306.try27-opt1-scwrl.p 10.1 9.1 8.6 49.1 64.8 55.3 18.9 1.3 -22.8 3.2 2.3 -0.3 6.8 0.2 4.5 1.7 1.9 1.9 0.0 -2.3 -3.6 -17.3 -29.4 0.0 0.0 0.0 163.88 T0306.try6-opt2.repack-n 9.8 8.8 8.6 46.9 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