SetCost wet6.5 10 near_backbone 3 way_back 3 dry5 20 dry6.5 30 dry8 20 dry12 15 \ phobic_fit 6 \ sidechain 6 \ bystroff 5 \ soft_clashes 20 backbone_clashes 2 \ break 70 \ alpha 4 alpha_prev 2 \ constraints 20 \ hbond_geom 1 \ hbond_geom_backbone 1 // 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, // sheet constraints, ssbonds, hbonds, or just arbitrary pairs of atoms. # from try7-opt2 HelixConstraint (T0243)S23 (T0243)D39 HelixConstraint (T0243)Y48 (T0243)K58 HelixConstraint (T0243)T74 (T0243)C93