SetCost wet6.5 3 near_backbone 3 way_back 3 dry5 7 dry6.5 7 dry8 7 dry12 7 \ phobic_fit 2 \ sidechain 6 \ bystroff 5 \ soft_clashes 10 backbone_clashes 2 \ break 20 \ pred_alpha2 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 0.6364 HelixConstraint E39 L69 0.7096 HelixConstraint P76 L107 0.6896 HelixConstraint P115 A138 0.65 HelixConstraint V142 M171 0.8065 HelixConstraint V177 V208 0.7128 # loose constraints for up-down bundle # These should be made more specific once the bundles start forming. constraint R3.CA L69.CA -10 10 20 0.2 constraint E39.CA L107.CA -10 10 20 0.2 constraint P76.CA A138.CA -10 10 20 0.2 constraint P115.CA M171.CA -10 10 20 0.2 constraint V142.CA V208.CA -10 10 20 0.2