// 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 try1.sheets SheetConstraint (T0411)E93 (T0411)F96 (T0411)N118 (T0411)L121 hbond (T0411)F96 1 SheetConstraint (T0411)K92 (T0411)Y97 (T0411)N40 (T0411)D45 hbond (T0411)Y97 1 SheetConstraint (T0411)L43 (T0411)V46 (T0411)S60 (T0411)V63 hbond (T0411)D45 1 ConstraintSet try1.helices # I'm a bit dubious about this first helix # HelixConstraint (T0411)M1 (T0411)W9 HelixConstraint (T0411)S26 (T0411)K36 HelixConstraint (T0411)P76 (T0411)Q82 HelixConstraint (T0411)K102 (T0411)G115 HelixConstraint (T0411)G124 (T0411)H132 ConstraintSet extra_strand SheetConstraint N21 Y25 N118 Y122 Hbond T119 SetCost \ align_constraints 20 \ try1.sheets 5 \ try1.helices 5 \ extra_strand 5 \ 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 150 backbone_clashes 10 \ break 250 \ hbond_geom 10 \ hbond_geom_backbone 10 \ hbond_geom_beta 20 \ hbond_geom_beta_pair 40