CreatePredAlphaCost pred_alpha2k alpha11 T0210.t2k.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha04 alpha11 T0210.t04.alpha.rdb 2 alpha alpha_prev sum SetCost wet6.5 5 near_backbone 3 way_back 3 dry5 7 dry6.5 9 dry8 9 dry12 2 \ phobic_fit 3 \ sidechain 6 \ bystroff 5 \ soft_clashes 15 backbone_clashes 2 \ break 40 \ pred_alpha2k 0.1 \ pred_alpha04 3.5 \ constraints 1 \ hbond_geom 0.1 \ hbond_geom_backbone 0.1 \ hbond_geom_beta 0.4 \ hbond_geom_beta_pair 1.5 // 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. # include T0210.t2k.dssp-ebghstl.constraints # include T0210.t04.str2.constraints # from t04-thin40.mi Constraint F54.CB V123.CB -10. 7.0 12.0 0.121489 # from t04-thin50.mi Constraint L57.CB C121.CB -10. 7.0 12.0 0.106412 # from t2k-thin40.mi Constraint E12.CB E138.CB -10. 7.0 12.0 0.107671