CreatePredAlphaCost pred_alpha2k alpha11 T0227.t2k.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha04 alpha11 T0227.t04.alpha.rdb 2 alpha alpha_prev sum SetCost wet6.5 3 near_backbone 3 way_back 3 dry5 6 dry6.5 8 dry8 5 dry12 2 \ phobic_fit 2 \ sidechain 6 \ bystroff 5 \ soft_clashes 15 backbone_clashes 2 \ break 40 \ pred_alpha2k 3 \ pred_alpha04 3 \ constraints 10 \ 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, // sheet constraints, ssbonds, hbonds, or just arbitrary pairs of atoms. # from T0227.t2k.dssp-ehl2.constraints StrandConstraint G7 V10 0.6212 HelixConstraint A15 I18 0.6772 StrandConstraint L38 V41 0.7725 HelixConstraint V61 K70 0.7684 HelixConstraint E75 A80 0.7728 StrandConstraint Y88 V91 0.7032 StrandConstraint V111 D115 0.7991 # from t04-thin30.mi, thin35, thin40, thin50: Constraint P4.CB S16.CB -10. 7.0 12.0 1 # from t04-thin35, t04-thin40 Constraint K31.CB D84.CB -10. 7.0 12.0 0.5