SetCost wet6.5 3 near_backbone 3 way_back 3 dry5 5 dry6.5 6 dry8 5 dry12 2 \ phobic_fit 2 \ sidechain 6 \ bystroff 5 \ soft_clashes 10 backbone_clashes 2 \ break 30 \ pred_alpha2 5 \ constraints 10 \ hbond_geom 0.1 \ hbond_geom_backbone 0.4 \ hbond_geom_beta 1 \ hbond_geom_beta_pair 2 // Add the following for extra-cellular proteins: # known_ssbond 0.5 # and put ssbond command in constraints file # maybe_ssbond 0.5 // For comparative modeling, increase weight of break and hbond_geom... // put any constraints here, such as helix constraints, strand constraints, // ssbond, hbond, or just arbitrary pairs of atoms. # from T0201.t04.dssp-ehl2.constraints # StrandConstraint K3 V4 0.666 StrandConstraint K3 T7 0.2 StrandConstraint F10 V13 0.756 HelixConstraint C23 E40 0.6594 StrandConstraint Y51 F56 0.6247 HelixConstraint N61 K80 0.6595 StrandConstraint I85 I90 0.6521