wet6 nea way dry5 dry6 dry8 dry1 phob sidec n_c bad_ byst soft bac break const hbon hbon hbon hbond cost .5 r_b _ba .5 2 ic_f hain a_c pept roff _cla kbo raint d_ge d_ge d_ge _geom ack ck it ide shes ne_ s om om_b om_b _beta bon cla ackb eta _pair e she one s WEIGHTS--> 15.0 5.0 5.0 15.0 20.0 15.0 5.0 10.0 8.0 5.0 10.0 5.0 40.0 2.0 100.0 20.0 5.0 10.0 50.0 100.0 T0284.try4-opt2.pdb.gz 7.8 9.2 9.4 46.0 60.1 47.2 17.0 9.2 -39.8 2.3 1.3 -0.8 8.3 0.1 10.6 -17.2 -2.8 -4.2 -5.0 -7.7 150.92 T0284.try4-opt1.pdb.gz 7.8 9.3 9.4 46.6 60.8 47.2 17.0 9.5 -39.2 2.4 1.2 -0.7 11.2 0.1 10.4 -15.7 -2.7 -4.1 -4.9 -7.7 157.91 T0284.try4-opt2.gromacs0 7.9 9.2 9.5 46.4 60.2 47.4 17.0 9.1 -27.4 3.7 3.0 -0.7 4.6 0.1 9.0 -15.9 -2.8 -4.0 -4.8 -7.6 164.09 T0284.try4-opt1-scwrl.pd 7.9 9.3 9.5 47.5 61.5 48.1 17.1 9.4 -42.8 2.4 1.2 -0.7 20.6 0.1 10.4 -8.9 -2.6 -4.1 -4.9 -7.7 173.04 T0284.try4-opt2.repack-n 7.8 9.2 9.4 46.4 60.3 47.4 17.0 9.3 -36.4 2.3 1.3 -0.8 6.1 0.1 10.6 9.9 -2.8 -4.2 -5.0 -7.7 179.93 T0284.try2-opt2.pdb.gz 7.7 9.0 9.2 45.9 60.2 48.3 17.1 27.7 -41.5 2.1 1.5 -0.4 8.1 0.1 18.6 10.8 -2.6 -4.0 -5.0 -7.9 204.93 dimer-1mumA-from-chimera 8.0 9.2 9.4 48.0 63.6 48.6 17.3 10.0 -38.1 2.3 1.7 -0.6 26.1 0.2 40.7 -15.6 -2.6 -4.1 -5.1 -7.9 211.07 T0284.try2-opt1.pdb.gz 7.7 9.1 9.2 46.3 60.9 48.5 17.1 29.5 -40.7 2.2 1.5 -0.5 11.5 0.1 19.6 12.9 -2.6 -4.0 -4.8 -7.7 215.84 T0284.try2-opt2.gromacs0 7.7 9.1 9.3 46.4 60.4 48.7 17.1 27.3 -23.0 5.3 3.5 -0.4 5.9 0.2 14.7 12.1 -2.6 -3.7 -4.5 -7.3 226.22 T0284.try2-opt1-scwrl.pd 7.8 9.1 9.2 47.1 61.6 49.0 17.2 29.5 -43.6 2.2 1.5 -0.5 18.5 0.1 19.6 25.2 -2.5 -4.0 -4.8 -7.7 234.53 T0284.try2-opt2.repack-n 7.8 9.0 9.2 46.7 60.7 48.6 17.1 28.0 -39.0 2.1 1.5 -0.4 4.1 0.1 18.6 43.1 -2.8 -4.0 -5.0 -7.9 237.46 T0284.try1-opt2.pdb.gz 7.4 9.1 9.1 45.2 60.5 49.4 17.5 48.3 -41.6 2.1 1.1 -0.8 4.8 0.1 3.4 865.8 -2.9 -4.5 -5.0 -7.7 1061.33 T0284.try1-opt2.gromacs0 7.5 9.1 9.1 45.5 60.6 49.6 17.5 48.4 -33.8 1.2 2.2 -0.6 1.3 0.0 3.0 866.6 -2.9 -4.4 -4.8 -7.6 1067.34 T0284.try1-opt2.repack-n 7.6 9.1 9.1 45.8 60.9 49.9 17.5 49.0 -39.1 2.1 1.1 -0.8 2.9 0.1 3.4 907.1 -2.9 -4.5 -5.0 -7.7 1105.50 T0284.try1-opt1-scwrl.pd 7.6 9.0 9.1 46.3 61.5 50.3 17.7 53.2 -43.6 2.2 1.1 -0.8 12.9 0.1 3.4 963.1 -2.7 -4.4 -5.1 -7.7 1173.22 T0284.try1-opt1.pdb.gz 7.4 9.0 9.1 45.6 61.1 49.8 17.6 53.0 -40.7 2.2 1.1 -0.8 6.1 0.1 3.4 980.8 -2.8 -4.4 -5.1 -7.7 1184.81