CreatePredAlphaCost pred_alpha2k alpha11 T0198.t2k.alpha.rdb 2 alpha alpha_prev min CreatePredAlphaCost pred_alpha04 alpha11 T0198.t04.alpha.rdb 2 alpha alpha_prev min SetCost wet6.5 3 near_backbone 3 way_back 3 dry5 10 dry6.5 10 dry8 10 dry12 4 \ phobic_fit 1 \ sidechain 6 \ bystroff 5 \ soft_clashes 10 backbone_clashes 2 \ break 20 \ pred_alpha2k 5 \ pred_alpha04 5 \ constraints 10 \ hbond_geom 0.5 \ hbond_geom_backbone 1 \ hbond_geom_beta 0.1 \ hbond_geom_beta_pair 0.1 # The beta cost functions were down-weighted for this alpha-protein // 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... HelixConstraint R3 E36 2 HelixConstraint E39 L69 1 HelixConstraint P76 L107 2 HelixConstraint P115 A138 1 HelixConstraint V142 M171 1 HelixConstraint V177 V208 1 # somewhat less loose constraints for up-down bundle # These should be made still more specific once the bundles start forming. constraint F12.CZ L69.CG -10 4 10 1 constraint L34.CG V104.CB -10 4 10 1 constraint L77.CG F137.CZ -10 4 10 1 constraint I119.CB M170.CB -10 4 10 0.5 constraint F137.CZ I200.CB -10 4 20 0.2