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 T0200.t2k.dssp-ehl2.constraints # from mutual information Constraint R51.CB S78.CB -10. 7.0 12.0 0.110348 Constraint R118.CB G234.CA -10. 7.0 12.0 0.105564 Constraint I6.CB T197.CB -10. 7.0 12.0 0.107452 Constraint G52.CA E231.CB -10. 7.0 12.0 0.106414 Constraint V34.CB A58.CB -10. 7.0 12.0 0.112527 Constraint A151.CB A226.CB -10. 7.0 12.0 0.10927 Constraint D138.CB A244.CB -10. 7.0 12.0 0.109191 Constraint V113.CB V143.CB -10. 7.0 12.0 0.106793 Constraint F5.CB A194.CB -10. 7.0 12.0 0.106349 Constraint T111.CB V143.CB -10. 7.0 12.0 0.106288 Constraint G94.CA A151.CB -10. 7.0 12.0 0.106095