wet6 nea way dry5 dry6 dry8 dry1 pho sidec n_c bad_ byst soft bac break pre pre pre cons hbon hbon hbon hbond mis mayb cost .5 r_b _ba .5 2 bic hain a_c pept roff _cla kbo d_a d_a d_a trai d_ge d_ge d_ge _geom sin e_me ack ck _fi ide shes ne_ lph lph lph nts om om_b om_b _beta g_a tal bon t cla a2k a04 a06 ackb eta _pair tom e she one s s WEIGHTS--> 15.0 5.0 5.0 15.0 20.0 15.0 5.0 0.0 5.0 5.0 10.0 5.0 60.0 2.0 150.0 2.0 2.0 2.0 10.0 5.0 10.0 50.0 100.0 1.0 0.5 T0310.try3-opt2.repack-n 7.6 8.3 8.5 45.9 61.1 49.8 17.7 3.5 -24.7 2.4 1.9 -0.8 6.8 0.1 12.3 0.4 0.3 0.3 -5.9 -3.1 -4.5 -6.2 -10.2 0.0 -0.2 167.74 T0310.try3-opt2.pdb.gz 7.5 8.3 8.5 45.3 61.0 49.7 17.7 3.5 -24.4 2.4 1.9 -0.8 7.5 0.1 12.3 0.4 0.3 0.3 -6.0 -3.0 -4.5 -6.2 -10.2 0.0 -0.2 167.88 T0310.try3-opt2.gromacs0 7.5 8.3 8.5 45.5 61.2 49.8 17.7 3.5 -18.6 2.6 2.4 -0.7 1.9 0.1 9.1 1.0 1.1 1.0 -5.9 -3.1 -4.5 -6.0 -9.9 0.0 -0.1 169.08 T0310.try3-opt1.pdb.gz 7.5 8.4 8.5 45.5 61.4 49.9 17.7 3.5 -24.3 2.3 1.9 -0.8 8.7 0.1 13.0 0.4 0.4 0.3 -6.0 -3.0 -4.5 -6.2 -10.3 0.0 -0.2 170.56 T0310.try2-opt2.repack-n 7.8 8.4 8.6 45.8 60.9 48.8 17.3 1.9 -24.2 2.2 2.0 -0.8 8.0 0.2 14.6 0.3 0.3 0.4 -5.1 -2.9 -4.4 -6.5 -10.5 0.0 -0.2 170.74 T0310.try2-opt2.pdb.gz 7.7 8.4 8.6 45.8 60.8 48.7 17.3 2.0 -24.3 2.2 2.0 -0.8 9.0 0.2 14.6 0.3 0.3 0.4 -5.2 -2.9 -4.4 -6.5 -10.5 0.0 -0.2 171.32 T0310.try2-opt2.gromacs0 7.7 8.4 8.5 45.9 61.2 48.8 17.3 2.0 -17.9 2.5 2.6 -0.6 2.0 0.1 11.1 1.1 1.1 1.1 -5.1 -3.0 -4.3 -6.2 -10.3 0.0 -0.0 172.06 T0310.try2-opt1.pdb.gz 7.7 8.4 8.6 46.0 61.1 48.8 17.3 2.0 -23.8 2.2 2.1 -0.8 11.1 0.2 15.1 0.4 0.4 0.4 -5.2 -2.9 -4.4 -6.4 -10.3 0.0 -0.5 175.48 T0310.try3-opt1-scwrl.pd 7.6 8.4 8.5 46.5 61.8 50.0 17.8 3.5 -27.7 2.3 1.9 -0.8 18.5 0.1 13.0 0.4 0.4 0.3 -5.9 -2.8 -4.5 -6.2 -10.3 0.0 0.0 179.20 T0310.try1-opt2.gromacs0 7.7 8.5 8.6 46.0 61.1 49.1 17.3 1.9 -16.9 3.4 2.9 -0.6 3.2 0.1 14.0 1.1 1.1 1.1 -4.9 -2.8 -4.2 -6.3 -10.2 0.0 0.0 179.46 T0310.try1-opt2.repack-n 7.7 8.3 8.6 46.2 61.2 49.0 17.3 1.9 -24.5 1.4 2.3 -0.8 11.3 0.2 22.7 0.4 0.4 0.4 -5.1 -3.0 -4.4 -6.4 -10.3 0.0 0.0 182.89 from-tetramer-try1-opt1- 7.5 8.4 8.5 46.5 62.4 50.3 17.9 3.8 -22.6 2.4 2.0 -0.8 16.2 0.1 14.0 0.4 0.4 0.4 -6.2 -2.9 -4.3 -5.9 -9.5 0.0 -0.5 184.78 T0310.try1-opt2.pdb.gz 7.7 8.3 8.6 45.7 60.9 49.0 17.3 1.9 -26.1 1.4 2.3 -0.8 16.2 0.2 22.7 0.4 0.4 0.4 -5.1 -2.8 -4.4 -6.4 -10.3 0.0 0.0 185.54 T0310.try2-opt1-scwrl.pd 7.8 8.4 8.6 46.8 62.2 49.1 17.3 1.9 -26.9 2.2 2.1 -0.8 22.4 0.2 15.1 0.4 0.4 0.4 -5.1 -2.8 -4.4 -6.4 -10.3 0.0 0.0 186.52 T0310.try1-opt1.pdb.gz 7.7 8.5 8.6 46.5 61.9 49.5 17.4 2.1 -25.8 1.4 2.5 -0.8 19.2 0.2 23.0 0.7 0.7 0.7 -5.0 -2.7 -4.2 -6.1 -9.8 0.0 -0.5 193.65 T0310.try1-opt1-scwrl.pd 7.7 8.5 8.6 47.5 62.7 49.5 17.4 2.1 -26.3 1.4 2.5 -0.8 19.8 0.2 23.0 0.7 0.7 0.7 -5.0 -2.7 -4.2 -6.1 -9.8 0.0 0.0 196.03