wet6 nea way dry5 dry6 dry8 dry1 phob sidec n_c bad_ byst soft bac break pre pre pre hbon hbon hbon hbond mis may cost .5 r_b _ba .5 2 ic_f hain a_c pept roff _cla kbo d_a d_a d_a d_ge d_ge d_ge _geom sin be_ ack ck it ide shes ne_ lph lph lph om om_b om_b _beta g_a met bon cla a2k a04 a06 ackb eta _pair tom al 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 40.0 2.0 100.0 2.0 3.0 4.0 5.0 10.0 50.0 100.0 1.0 0.5 T0313.try3-opt2.pdb.gz 8.0 8.3 8.5 46.7 61.4 49.2 17.4 -0.7 -24.4 1.9 1.1 -0.9 2.6 0.0 6.4 0.6 0.8 1.1 -3.0 -4.2 -9.6 -17.6 0.0 0.0 153.67 T0313.try3-opt2.repack-n 8.1 8.3 8.5 47.2 61.9 49.5 17.5 -0.7 -23.2 1.9 1.1 -0.9 1.5 0.0 6.4 0.6 0.8 1.1 -3.1 -4.2 -9.6 -17.6 0.0 0.0 155.15 T0313.try4-opt2.pdb.gz 8.1 8.4 8.4 46.8 62.1 49.7 17.7 -0.7 -24.4 2.1 1.1 -0.8 2.9 0.1 7.8 0.6 1.0 1.3 -3.1 -4.4 -9.8 -17.6 0.0 0.0 156.92 robetta-model5.pdb.gz 8.1 8.3 8.5 47.4 62.7 50.5 17.6 -0.2 -23.8 1.2 0.6 -0.8 2.3 0.1 0.8 1.5 2.3 3.1 -3.0 -4.2 -9.6 -15.7 0.0 0.0 157.56 T0313.try2-opt2.pdb.gz 7.9 8.3 8.4 46.2 62.0 50.0 17.7 0.0 -22.5 2.6 1.0 -0.7 2.1 0.0 3.9 0.8 1.5 1.9 -3.2 -4.3 -9.9 -16.2 0.0 0.0 157.59 T0313.try4-opt2.repack-n 8.1 8.4 8.4 47.7 63.1 50.3 17.7 -0.7 -23.6 2.1 1.1 -0.8 1.6 0.1 7.8 0.6 1.0 1.3 -3.4 -4.4 -9.8 -17.6 0.0 0.0 158.75 T0313.try1-opt2.pdb.gz 8.0 8.4 8.5 45.9 60.9 49.7 17.7 0.2 -23.6 2.5 1.0 -0.8 5.4 0.1 4.6 0.7 1.1 1.5 -3.1 -4.3 -9.6 -15.8 0.0 0.0 158.87 T0313.try2-opt2.repack-n 7.8 8.3 8.4 47.1 62.4 50.3 17.7 0.1 -21.9 2.6 1.0 -0.7 1.5 0.0 3.9 0.8 1.5 1.9 -3.1 -4.3 -9.9 -16.2 0.0 0.0 159.29 T0313.try3-opt2.gromacs0 7.9 8.3 8.5 46.8 61.3 49.2 17.4 -0.7 -19.8 2.4 2.3 -1.0 0.9 0.0 4.4 1.4 2.1 2.8 -3.1 -4.2 -9.4 -17.2 0.0 0.0 160.30 T0313.try1-opt2.repack-n 8.0 8.4 8.5 46.9 62.2 50.1 17.7 0.1 -21.9 2.5 1.0 -0.8 3.5 0.1 4.6 0.7 1.1 1.5 -3.2 -4.3 -9.6 -15.8 0.0 0.0 161.18 robetta-model3.pdb.gz 7.9 8.3 8.4 48.3 63.3 50.2 17.5 -0.1 -22.2 1.4 0.7 -1.1 2.0 0.0 1.1 1.4 2.4 3.2 -3.0 -3.9 -8.7 -14.7 0.0 0.0 162.29 T0313.try3-opt1.pdb.gz 8.1 8.3 8.5 47.8 61.9 49.5 17.5 -0.7 -24.0 1.8 1.0 -0.8 6.5 0.1 6.5 0.8 1.3 1.7 -2.8 -4.0 -9.3 -16.9 0.0 0.0 162.77 robetta-model4.pdb.gz 8.1 8.4 8.5 47.5 62.6 50.1 17.5 -0.1 -20.9 1.4 0.6 -0.8 2.8 0.1 1.1 1.6 2.6 3.5 -3.0 -3.9 -8.9 -15.3 0.0 0.0 163.44 T0313.try4-opt2.gromacs0 8.1 8.4 8.5 47.3 62.3 49.7 17.7 -0.7 -19.9 3.6 2.4 -0.9 0.8 0.1 5.2 1.2 2.0 2.7 -3.2 -4.3 -9.6 -17.5 0.0 0.0 163.61 T0313.try2-opt2.gromacs0 7.9 8.3 8.5 46.3 62.4 50.0 17.7 0.0 -19.4 2.0 2.2 -0.7 0.5 0.0 3.2 1.4 2.4 3.2 -3.2 -4.3 -9.5 -14.7 0.0 0.0 164.13 T0313.try4-opt1.pdb.gz 8.1 8.5 8.5 47.8 62.9 50.1 17.7 -0.7 -24.2 2.0 1.1 -0.8 5.5 0.1 8.5 0.8 1.3 1.7 -3.1 -4.4 -9.6 -17.4 0.0 0.0 164.40 T0313.try1-opt2.gromacs0 8.0 8.4 8.5 46.0 61.2 49.8 17.7 0.2 -18.4 1.5 2.3 -0.8 1.0 0.0 4.0 1.3 2.4 3.2 -3.1 -4.2 -9.3 -15.2 0.0 0.0 164.50 T0313.try3-opt1-scwrl.pd 8.1 8.3 8.5 47.7 62.1 49.6 17.5 -0.7 -24.1 1.8 1.0 -0.8 8.2 0.1 6.5 0.8 1.3 1.7 -2.8 -4.0 -9.3 -16.9 0.0 0.0 164.64 robetta-model1.pdb.gz 8.1 8.3 8.5 48.1 63.2 50.3 17.5 -0.1 -21.0 1.5 0.6 -0.7 2.3 0.1 0.4 1.5 2.5 3.4 -3.0 -3.9 -8.4 -14.1 0.0 0.0 164.95 T0313.try2-opt1.pdb.gz 8.0 8.3 8.4 46.7 62.7 50.4 17.8 0.1 -21.2 2.8 0.9 -0.7 4.4 0.1 3.6 1.0 1.8 2.3 -3.1 -4.1 -9.4 -15.1 0.0 0.0 165.66 robetta-model2.pdb.gz 8.0 8.4 8.5 48.2 64.0 50.3 17.6 -0.1 -20.5 1.5 0.6 -0.7 2.8 0.0 0.4 1.4 2.4 3.2 -2.9 -3.8 -8.7 -14.8 0.0 0.0 165.93 T0313.try4-opt1-scwrl.pd 8.1 8.5 8.5 48.0 63.1 50.4 17.7 -0.7 -25.3 2.0 1.1 -0.8 7.4 0.1 8.5 0.8 1.3 1.7 -3.0 -4.4 -9.6 -17.4 0.0 0.0 165.95 T0313.try1-opt1.pdb.gz 8.1 8.4 8.5 46.7 61.9 50.0 17.7 0.2 -22.5 2.7 1.1 -0.8 7.9 0.1 5.3 0.9 1.6 2.1 -3.1 -4.2 -9.5 -15.6 0.0 0.0 167.47 T0313.try1-opt1-scwrl.pd 8.1 8.4 8.5 47.0 62.3 50.1 17.8 0.2 -23.8 2.7 1.1 -0.8 10.6 0.1 5.3 0.9 1.6 2.1 -3.0 -4.2 -9.5 -15.6 0.0 0.0 169.85 T0313.try2-opt1-scwrl.pd 8.1 8.3 8.4 47.1 63.3 50.5 17.8 0.1 -22.6 2.8 0.9 -0.7 8.6 0.1 3.6 1.0 1.8 2.3 -2.9 -4.1 -9.4 -15.1 0.0 0.0 169.96