SetCost wet6.5 6 near_backbone 3 way_back 3 dry5 10 dry6.5 12 dry8 10 dry12 2 \ phobic_fit 2 \ sidechain 4 \ bystroff 5 \ soft_clashes 30 backbone_clashes 2 \ break 50 \ pred_alpha2 5 \ constraints 5 \ hbond_geom 0.1 \ hbond_geom_backbone 0.1 \ 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. StrandConstraint H2 H7 2.0 // make His tag be extended.