SetCost wet6.5 3 near_backbone 3 way_back 3 dry5 5 dry6.5 6 dry8 5 dry12 2 \ phobic_fit 2 \ sidechain 6 \ bystroff 5 \ soft_clashes 10 backbone_clashes 2 \ break 20 \ pred_alpha2 5 \ constraints 10 \ hbond_geom 0.1 \ hbond_geom_backbone 0.1 \ hbond_geom_beta 0.4 \ hbond_geom_beta_pair 1 // 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 T0199.t2k.dssp-ehl2.constraints # From mutual information Constraint E90.CB E186.CB -10. 7.0 12.0 0.116795 Constraint Y24.CB R181.CB -10. 7.0 12.0 0.114953 Constraint T272.CB P300.CB -10. 7.0 12.0 0.110449 Constraint N33.CB S299.CB -10. 7.0 12.0 0.105667 Constraint T80.CB Y134.CB -10. 7.0 12.0 0.106523 Constraint Q70.CB E90.CB -10. 7.0 12.0 0.109378 Constraint L191.CB L211.CB -10. 7.0 12.0 0.108783 Constraint Y294.CB G302.CA -10. 7.0 12.0 0.108672 Constraint Q19.CB Y87.CB -10. 7.0 12.0 0.108466 Constraint L127.CB Y294.CB -10. 7.0 12.0 0.108094 Constraint T80.CB R251.CB -10. 7.0 12.0 0.107916 Constraint P175.CB K293.CB -10. 7.0 12.0 0.107604 Constraint D81.CB Y294.CB -10. 7.0 12.0 0.107006 Constraint Q19.CB D58.CB -10. 7.0 12.0 0.106919 Constraint G133.CA A234.CB -10. 7.0 12.0 0.106453 Constraint V45.CB K283.CB -10. 7.0 12.0 0.106429 Constraint L127.CB G302.CA -10. 7.0 12.0 0.105669