// 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 try3.sheets SheetConstraint (T0411)V55 (T0411)I57 (T0411)L139 (T0411)L137 hbond (T0411)H56 1 SheetConstraint (T0411)S120 (T0411)L121 (T0411)Q23 (T0411)S24 hbond (T0411)L121 1 SheetConstraint (T0411)L94 (T0411)F96 (T0411)T119 (T0411)L121 hbond (T0411)F96 1 SheetConstraint (T0411)E93 (T0411)C98 (T0411)V41 (T0411)V46 hbond (T0411)Y97 1 SheetConstraint (T0411)L43 (T0411)V46 (T0411)S60 (T0411)V63 hbond (T0411)D45 1 ConstraintSet try3.helices HelixConstraint (T0411)S26 (T0411)G35 HelixConstraint (T0411)E48 (T0411)V55 HelixConstraint (T0411)R66 (T0411)A71 HelixConstraint (T0411)P69 (T0411)L74 HelixConstraint (T0411)P76 (T0411)K81 HelixConstraint (T0411)R103 (T0411)H114 HelixConstraint (T0411)S125 (T0411)V130 SetCost \ align_constraints 40 \ try3.sheets 10 \ try3.helices 4 \ nn1000 1 \ two_stage 1 \ pred_nb11_back 30 \ 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 5 \ n_ca_c 2 bad_peptide 5 \ soft_clashes 100 backbone_clashes 10 \ break 200 \ hbond_geom 10 \ hbond_geom_backbone 10 \ hbond_geom_beta 20 \ hbond_geom_beta_pair 40