CreatePredAlphaCost pred_alpha2k alpha11 T0222.t2k.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha04 alpha11 T0222.t04.alpha.rdb 2 alpha alpha_prev sum SetCost wet6.5 5 near_backbone 5 way_back 5 dry5 15 dry6.5 20 dry8 15 dry12 5 \ phobic_fit 2 \ sidechain 1 \ bystroff 5 \ soft_clashes 10 backbone_clashes 2 \ break 20 \ pred_alpha2k 5 \ pred_alpha04 1 \ constraints 10 \ hbond_geom 1 \ hbond_geom_backbone 1 \ hbond_geom_beta 5 \ hbond_geom_beta_pair 10 // 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 T0222.t2k.dssp-ehl2.constraints HelixConstraint I275 L283 0.6261 HelixConstraint A293 R304 0.6309 StrandConstraint A324 L326 0.7212 HelixConstraint R338 T344 0.7006 # from decoys/align1.sheets SheetConstraint G305 T309 L326 N322 hbond G305 5.0 SheetConstraint P311 Q313 P354 D352 hbond I312 5.0