CreatePredAlphaCost pred_alpha2k alpha11 T0205.t2k.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha04 alpha11 T0205.t04.alpha.rdb 2 alpha alpha_prev sum SetCost wet6.5 3 near_backbone 3 way_back 3 dry5 8 dry6.5 12 dry8 8 dry12 2 \ phobic_fit 2 \ sidechain 6 \ bystroff 5 \ soft_clashes 20 backbone_clashes 2 \ break 30 \ pred_alpha2k 5 \ pred_alpha04 1 \ constraints 10 \ hbond_geom 0.1 \ hbond_geom_backbone 0.1 \ hbond_geom_beta 0.6 \ 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 T0205.t2k.dssp-ehl2.constraints include T0205.t2k.str2.constraints include T0205.t2k.stride-ebghtl.constraints include T0205.t2k.alpha.constraints SheetConstraint R22 S26 D16 N12 hbond I23 1.0 SheetConstraint R22 V25 E50 A53 hbond E50 3.0 SheetConstraint E101 Q96 D48 A53 hbond L51 4.0 SheetConstraint A98 G92 T81 K87 hbond V95 4.0 SheetConstraint T103 V95 V75 I83 hbond V75 4.0 Constraint F110.CB L104.CB -10 7 12 1.0 Constraint L113.CB I102.CB -10 7 12 1.0 Constraint V128.CB A57.CB -10 10 25 1.0