wet6 nea way dry5 dry6 dry8 dry1 pho sidec n_ca bad_ byst soft bac brea pre pre pre cons hbon hbon hbon hbond mis may may cost .5 r_b _ba .5 2 bic hain _c pept roff _cla kbo k d_a d_a d_a trai d_ge d_ge d_ge _geom sin be_ be_ ack ck _fi ide shes ne_ lph lph lph nts om om_b om_b _beta g_a met ssb bon t cla a2k a04 a06 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 T0321.try4-opt2.pdb.gz 8.4 8.5 8.9 44.2 61.6 51.7 18.0 2.9 -29.7 1.7 2.3 -0.5 6.0 0.1 7.6 0.3 0.4 0.3 -0.6 -2.8 -4.5 -8.7 -15.3 0.0 0.0 0.0 160.85 T0321.try4-opt1.pdb.gz 8.4 8.6 8.8 44.5 61.9 51.9 18.0 3.0 -29.7 1.7 2.4 -0.5 6.4 0.1 7.9 0.3 0.4 0.4 -0.5 -2.8 -4.5 -8.6 -15.0 0.0 0.0 0.0 163.24 T0321.try4-opt2.repack-n 8.5 8.5 8.9 45.7 63.2 52.4 18.1 2.9 -27.5 1.7 2.3 -0.5 4.9 0.1 7.6 0.3 0.4 0.3 -0.7 -2.7 -4.5 -8.7 -15.3 0.0 0.0 0.0 165.83 T0321.try2-opt2.pdb.gz 8.5 8.5 8.8 45.3 62.4 51.7 17.9 2.7 -27.1 1.7 2.3 -0.6 5.2 0.1 7.3 0.5 0.6 0.6 4.1 -2.5 -3.9 -9.1 -15.6 0.0 0.0 0.0 169.55 T0321.try4-opt1-scwrl.pd 8.4 8.6 8.8 46.3 63.8 52.3 18.1 3.0 -30.4 1.7 2.4 -0.5 11.7 0.1 7.9 0.3 0.4 0.4 -0.5 -2.6 -4.5 -8.6 -15.0 0.0 0.0 0.0 172.08 T0321.try2-opt2.repack-n 8.5 8.5 8.8 46.3 63.6 52.5 18.1 2.8 -25.6 1.7 2.3 -0.6 3.1 0.1 7.3 0.5 0.6 0.6 4.1 -2.4 -3.9 -9.1 -15.6 0.0 0.0 0.0 172.20 T0321.try3-opt2.pdb.gz 8.4 8.5 8.8 44.3 61.7 51.7 17.9 3.0 -28.7 1.6 2.6 -0.3 6.4 0.1 13.5 0.4 0.5 0.5 0.6 -2.7 -4.3 -8.0 -13.6 0.0 0.0 0.0 172.81 chimera-domains2.pdb 8.4 8.7 8.9 46.0 62.0 51.2 17.9 2.9 -30.3 1.7 2.5 -0.5 12.4 0.3 12.0 0.3 0.4 0.3 -0.3 -2.9 -4.6 -8.9 -15.3 0.0 0.0 0.0 173.09 T0321.try3-opt2.repack-n 8.4 8.5 8.8 45.6 63.2 52.4 18.0 3.0 -26.4 1.6 2.6 -0.3 4.8 0.1 13.5 0.4 0.5 0.5 0.6 -2.7 -4.3 -8.0 -13.6 0.0 0.0 0.0 177.25 T0321.try2-opt1.pdb.gz 8.5 8.6 8.8 45.9 63.2 52.1 18.1 3.7 -26.6 1.7 2.4 -0.4 6.9 0.1 8.8 0.7 0.8 0.8 4.1 -2.4 -3.9 -8.9 -15.2 0.0 0.0 0.0 177.83 T0321.try3-opt1.pdb.gz 8.4 8.5 8.9 44.8 62.0 52.0 17.9 3.1 -26.9 1.7 2.7 -0.3 8.2 0.1 13.4 0.6 0.8 0.7 0.8 -2.5 -4.1 -7.1 -12.2 0.0 0.0 0.0 181.55 T0321.try4-opt2.gromacs0 8.4 8.7 9.2 45.1 62.2 51.9 18.0 2.9 -15.0 4.3 3.1 0.1 1.6 0.1 5.9 2.1 2.4 2.4 -0.4 -2.8 -4.4 -8.3 -14.8 0.0 0.0 0.0 182.53 T0321.try2-opt1-scwrl.pd 8.5 8.6 8.8 47.5 64.4 52.5 18.1 3.7 -27.5 1.7 2.4 -0.4 9.7 0.1 8.8 0.7 0.8 0.8 4.1 -2.3 -3.9 -8.9 -15.2 0.0 0.0 0.0 183.03 T0321.try3-opt1-scwrl.pd 8.5 8.5 8.9 46.0 63.8 52.4 18.1 3.0 -28.5 1.7 2.7 -0.3 11.4 0.1 13.4 0.6 0.8 0.7 0.8 -2.4 -4.1 -7.1 -12.2 0.0 0.0 0.0 186.70 T0321.try2-opt2.gromacs0 8.5 8.6 8.9 45.9 63.0 51.8 17.9 2.7 -14.4 4.0 3.0 0.1 1.7 0.1 5.8 1.9 2.1 2.1 4.4 -2.5 -3.8 -9.0 -15.2 0.0 0.0 0.0 187.76 T0321.try3-opt2.gromacs0 8.5 8.5 9.0 45.2 62.3 51.9 17.9 3.0 -13.6 5.3 3.6 0.2 2.4 0.1 9.0 1.8 2.1 2.1 1.2 -2.7 -4.1 -7.5 -12.6 0.0 0.0 0.0 193.53 T0321.try5-opt2.pdb.gz 8.8 9.2 9.3 46.9 64.3 53.6 18.7 3.1 -25.4 1.3 3.7 -0.2 11.1 0.3 24.8 0.6 0.6 0.6 30.0 -2.2 -3.3 -5.8 -8.9 0.0 0.0 0.0 241.03 T0321.try5-opt2.repack-n 8.7 9.2 9.3 47.9 64.7 53.9 18.7 3.1 -23.1 1.3 3.7 -0.2 8.6 0.3 24.8 0.6 0.6 0.6 30.3 -2.1 -3.3 -5.8 -8.9 0.0 0.0 0.0 242.89 T0321.try5-opt1.pdb.gz 8.7 9.1 9.2 48.7 65.6 54.5 18.8 3.4 -23.5 1.3 3.5 0.0 14.1 0.4 24.0 1.3 1.3 1.3 40.1 -2.1 -3.2 -5.6 -8.7 0.0 0.0 0.0 262.37 chimera-domains.pdb 9.5 9.7 9.6 66.3 90.8 60.7 18.5 2.0 -29.4 1.6 2.7 -0.3 31.8 0.8 19.0 0.6 0.7 0.7 -0.3 -2.8 -4.4 -8.6 -14.8 0.0 0.0 0.0 264.49 T0321.try5-opt1-scwrl.pd 8.8 9.1 9.2 49.6 66.4 54.7 18.9 3.3 -25.2 1.3 3.5 0.0 16.2 0.4 24.0 1.3 1.3 1.3 40.2 -2.1 -3.2 -5.6 -8.7 0.0 0.0 0.0 264.83 T0321.try5-opt2.gromacs0 8.9 9.4 9.5 47.9 64.0 53.5 18.6 3.1 -1.8 14.7 5.0 0.1 5.9 0.7 19.2 2.2 2.4 2.3 30.5 -2.2 -3.1 -5.6 -8.0 0.0 0.0 0.0 277.24 T0321.try1-opt2.pdb.gz 8.1 8.4 8.6 46.8 63.6 52.8 18.3 4.5 -25.6 1.9 2.4 -0.1 7.6 0.2 7.7 0.6 0.5 0.5 98.4 -2.3 -3.6 -5.0 -8.6 0.0 0.0 0.0 285.50 T0321.try1-opt1.pdb.gz 7.9 8.4 8.6 47.3 64.3 53.4 18.7 5.7 -24.8 1.9 2.4 0.1 11.5 0.2 9.1 1.1 1.1 1.0 99.3 -2.2 -3.6 -4.8 -8.0 0.0 0.0 0.0 298.78 T0321.try1-opt1-scwrl.pd 8.2 8.4 8.6 48.3 64.9 53.6 18.7 5.6 -25.9 1.9 2.4 0.1 13.6 0.2 9.1 1.1 1.1 1.0 99.6 -2.2 -3.6 -4.8 -8.0 0.0 0.0 0.0 301.97