wet6 nea way_ dry5 dry6 dry8 dry1 phob sidec n_c bad_ byst soft bac break const hbon hbon hbon hbond mis cost .5 r_b back .5 2 ic_f hain a_c pept roff _cla kbo raint d_ge d_ge d_ge _geom sin ack it ide shes ne_ s om om_b om_b _beta g_a bon cla ackb eta _pair tom e she one s s WEIGHTS--> 15.0 5.0 5.0 15.0 20.0 15.0 5.0 14.0 10.0 5.0 10.0 5.0 60.0 2.0 120.0 20.0 5.0 10.0 50.0 100.0 1.0 T0284.try5-opt2.pdb.gz 7.8 9.1 9.4 45.7 60.3 47.2 17.0 11.6 -51.5 2.3 1.3 -0.8 9.4 0.1 12.7 -16.8 -2.8 -4.2 -5.1 -7.7 0.0 144.87 T0284.try6-opt2.pdb.gz 7.8 9.2 9.5 45.8 59.8 47.5 17.0 12.0 -50.5 2.7 1.3 -0.9 10.4 0.1 11.7 -17.3 -3.0 -4.4 -5.1 -7.8 0.0 145.98 T0284.try5-opt1.pdb.gz 7.8 9.1 9.4 45.8 60.3 47.2 17.0 12.1 -50.3 2.2 1.3 -0.8 11.3 0.1 12.7 -15.9 -2.7 -4.2 -5.0 -7.7 0.0 149.68 T0284.try6-opt1.pdb.gz 7.9 9.3 9.5 46.0 60.0 47.6 17.1 12.3 -49.5 2.6 1.3 -0.9 12.8 0.1 11.8 -17.2 -2.9 -4.3 -5.0 -7.7 0.0 150.70 T0284.try4-opt2.pdb.gz 7.8 9.2 9.4 46.0 60.1 47.2 17.0 12.9 -49.8 2.3 1.3 -0.8 12.4 0.1 12.7 -15.1 -2.8 -4.2 -5.0 -7.7 0.0 153.01 try5-opt2.proto.dimerTak 7.8 9.3 9.5 45.8 60.5 47.4 17.0 12.8 -50.6 2.3 1.3 -0.8 20.9 0.1 12.7 -16.8 -2.8 -4.2 -5.0 -7.7 0.0 159.51 T0284.try5-opt2.gromacs0 7.9 9.2 9.4 46.4 60.5 47.6 17.1 11.4 -36.4 3.8 3.0 -0.7 6.1 0.1 10.8 -15.1 -2.8 -4.1 -4.8 -7.5 0.0 161.93 T0284.try4-opt1.pdb.gz 7.8 9.3 9.4 46.6 60.8 47.2 17.0 13.3 -49.0 2.4 1.2 -0.7 16.8 0.1 12.5 -12.0 -2.7 -4.1 -4.9 -7.7 0.0 163.27 T0284.try4-opt2.gromacs0 7.9 9.2 9.5 46.4 60.2 47.4 17.0 12.8 -34.3 3.7 3.0 -0.7 7.0 0.1 10.8 -13.6 -2.8 -4.0 -4.8 -7.6 0.0 167.33 T0284.try6-opt2.gromacs0 7.9 9.4 9.4 46.4 60.5 47.9 17.1 11.8 -34.4 4.6 3.2 -0.7 7.4 0.2 13.4 -15.3 -2.9 -4.1 -4.9 -7.6 0.0 169.31 T0284.try5-opt2.repack-n 7.8 9.1 9.4 46.0 60.4 47.7 17.0 11.6 -46.5 2.3 1.3 -0.8 7.9 0.1 12.7 3.7 -2.9 -4.2 -5.1 -7.7 0.0 169.67 T0284.try6-opt2.repack-n 7.9 9.2 9.5 46.1 60.0 47.9 17.0 12.2 -46.8 2.7 1.3 -0.9 8.4 0.1 11.7 3.8 -2.8 -4.4 -5.1 -7.8 0.0 170.09 try5-opt2.proto.dimerTak 7.8 9.4 9.6 47.0 62.0 48.4 17.1 13.2 -45.9 2.3 1.3 -0.8 29.8 0.2 12.7 -16.8 -2.8 -4.2 -5.0 -7.7 0.0 177.57 try5-opt2.proto.dimerTak 7.9 9.4 9.6 47.2 63.6 49.2 17.1 12.8 -46.0 2.3 1.3 -0.8 31.4 0.2 12.7 -16.8 -2.8 -4.2 -5.0 -7.7 0.0 181.46 T0284.try2-opt2.pdb.gz 7.7 9.0 9.2 45.9 60.2 48.3 17.1 38.8 -51.9 2.1 1.5 -0.4 12.2 0.1 22.3 -11.6 -2.6 -4.0 -5.0 -7.9 0.0 191.09 T0284.try4-opt1-scwrl.pd 7.9 9.3 9.5 47.5 61.5 48.1 17.1 13.2 -53.4 2.4 1.2 -0.7 30.9 0.1 12.5 4.4 -2.6 -4.1 -4.9 -7.7 0.0 191.81 T0284.try1-opt2.pdb.gz 7.4 9.1 9.1 45.2 60.5 49.4 17.5 67.7 -52.0 2.1 1.1 -0.8 7.2 0.1 4.1 -12.7 -2.9 -4.5 -5.0 -7.7 0.0 194.84 T0284.try6-opt1-scwrl.pd 7.9 9.3 9.5 47.3 61.1 48.0 17.1 12.4 -54.3 2.6 1.3 -0.9 33.7 0.1 11.8 9.2 -2.7 -4.3 -5.0 -7.7 0.0 196.51 T0284.try1-opt2.gromacs0 7.5 9.1 9.1 45.5 60.6 49.6 17.5 67.7 -42.2 1.2 2.2 -0.6 1.9 0.0 3.6 -12.3 -2.9 -4.4 -4.8 -7.6 0.0 200.62 T0284.try2-opt1.pdb.gz 7.7 9.1 9.2 46.3 60.9 48.5 17.1 41.3 -50.9 2.2 1.5 -0.5 17.3 0.1 23.5 -11.3 -2.6 -4.0 -4.8 -7.7 0.0 202.94 T0284.try1-opt1.pdb.gz 7.4 9.0 9.1 45.6 61.1 49.8 17.6 74.2 -50.9 2.2 1.1 -0.8 9.1 0.1 4.1 -12.4 -2.8 -4.4 -5.1 -7.7 0.0 206.26 T0284.try2-opt2.gromacs0 7.7 9.1 9.3 46.4 60.4 48.7 17.1 38.3 -28.8 5.3 3.5 -0.4 8.9 0.2 17.6 -10.7 -2.6 -3.7 -4.5 -7.3 0.0 214.53 T0284.try5-opt1-scwrl.pd 7.9 9.1 9.4 47.2 61.4 48.1 17.0 12.3 -54.5 2.2 1.3 -0.8 30.4 0.1 12.7 32.7 -2.6 -4.2 -5.0 -7.7 0.0 216.95 T0284.try4-opt2.repack-n 7.8 9.2 9.4 46.4 60.3 47.4 17.0 13.0 -45.5 2.3 1.3 -0.8 9.1 0.1 12.7 48.4 -2.8 -4.2 -5.0 -7.7 0.0 218.23 dimer-1mumA-from-chimera 8.0 9.2 9.4 48.0 63.6 48.6 17.3 14.0 -47.6 2.3 1.7 -0.6 39.1 0.2 48.9 -11.2 -2.6 -4.1 -5.1 -7.9 0.0 231.20 T0284.try1-opt1-scwrl.pd 7.6 9.0 9.1 46.3 61.5 50.3 17.7 74.5 -54.5 2.2 1.1 -0.8 19.4 0.1 4.1 4.0 -2.7 -4.4 -5.1 -7.7 0.0 231.63 rotate1.pdb 8.4 9.7 10.0 51.3 65.6 51.1 17.8 11.1 -40.9 2.3 1.3 -0.8 71.8 0.3 11.4 -16.8 -3.0 -4.2 -5.1 -7.7 0.0 233.67 T0284.try2-opt1-scwrl.pd 7.8 9.1 9.2 47.1 61.6 49.0 17.2 41.3 -54.4 2.2 1.5 -0.5 27.7 0.1 23.5 17.3 -2.5 -4.0 -4.8 -7.7 0.0 240.76 rotate2.pdb 8.4 9.6 9.9 51.9 66.0 51.3 17.8 10.9 -37.6 2.3 1.3 -0.7 74.6 0.3 11.8 -16.8 -2.9 -4.2 -5.1 -7.7 0.0 241.07 T0284.try2-opt2.repack-n 7.8 9.0 9.2 46.7 60.7 48.6 17.1 39.2 -48.8 2.1 1.5 -0.4 6.1 0.1 22.3 54.5 -2.8 -4.0 -5.0 -7.9 0.0 256.06 rotate3.pdb 9.010.0 10.3 57.7 79.0 59.0 20.0 9.5 -36.6 2.3 1.3 -0.7 93.0 0.6 11.0 -16.8 -2.9 -4.3 -5.1 -7.7 0.0 288.61 T0284.try1-opt2.repack-n 7.6 9.1 9.1 45.8 60.9 49.9 17.5 68.6 -48.9 2.1 1.1 -0.8 4.3 0.1 4.1 89.7 -2.9 -4.5 -5.0 -7.7 0.0 300.04