// 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.constraints SheetConstraint R100 V101 P116 A115 hbond V101 1 SheetConstraint V101 G104 I114 I111 hbond L103 1 SheetConstraint I87 H92 D105 R100 hbond G88 1 SheetConstraint E77 F81 L93 Y89 hbond W79 1 SheetConstraint G82 D84 Y89 I87 hbond G82 1 SheetConstraint G44 K47 I55 Y52 hbond G44 1 SheetConstraint W8 K11 G46 G43 hbond Y9 1 HelixConstraint M1 K7 1 HelixConstraint S15 N27 1 HelixConstraint P31 S41 1 HelixConstraint Y64 K72 1 HelixConstraint S117 L128 1 HelixConstraint L133 N138 1 SetCost \ align_constraints 80 \ try3.constraints 30 \ 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 200 backbone_clashes 10 \ break 400 \ hbond_geom 10 \ hbond_geom_backbone 10 \ hbond_geom_beta 30 \ hbond_geom_beta_pair 60