// This is based on the CASP7 cost function, with some updates // to take advantage of new features. // Weighting is rather arbitrary. // I reduced soft_clashes, to keep from tearing apart nearly // right packing. It needs to be gradually increased. ConstraintSet dimer_pair Hbond V91.O Y107.N Hbond V182.O Y16.N # Hbond V91.OXT G108.N # Hbond V182.OXT G17.N Constraint V91.C Y107.N 3.0 3.3 4.2 Constraint V182.C Y16.N 3.0 3.3 4.2 Constraint V91.C G108.N 3.0 3.8 4.6 Constraint V182.C G17.N 3.0 3.8 4.6 SetCost \ dimer_pair 80 \ align_constraints 20 \ ehl2_constraints 5 \ align_sheets 5 \ pred_nb11_back 50 \ pred_alpha_back 10 \ pred_n_notor_back 5 \ pred_bys_back 5 \ pred_pb_back 3 \ wet6.5 15 dry5 15 dry6.5 15 dry8 40 dry12 40 \ phobic_fit 3 \ sidechain 10 \ n_ca_c 2 bad_peptide 5 \ soft_clashes 80 backbone_clashes 10 \ break 100 \ hbond_geom 10 \ hbond_geom_backbone 10 \ hbond_geom_beta 20 \ hbond_geom_beta_pair 40