CreatePredAlphaCost pred_alpha2k alpha11 T0365.t2k.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha04 alpha11 T0365.t04.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha06 alpha11 T0365.t06.alpha.rdb 2 alpha alpha_prev sum SetCost wet6.5 15 near_backbone 5 way_back 5 dry5 15 dry6.5 20 dry8 15 dry12 5 \ phobic_fit 2 \ sidechain 5 \ n_ca_c 5 bad_peptide 10 \ bystroff 5 \ soft_clashes 20 backbone_clashes 2 \ break 50 \ pred_alpha2k 2 \ pred_alpha04 2 \ pred_alpha06 2 \ constraints 15 \ hbond_geom 5 \ hbond_geom_backbone 10 \ hbond_geom_beta 50 \ hbond_geom_beta_pair 100 \ missing_atoms 1 \ maybe_metal 0.5 \ maybe_ssbond 1 // remove maybe_ssbond weight if protein known to be in reducing environment. // remove maybe_metal weight if protein known to have disulfides or // known not to bind metal ions. // Add the following for extra-cellular proteins: # known_ssbond 0.5 # and put ssbond command in constraints file // For comparative modeling, increase weight of break and hbond_geom... // put any constraints here, such as helix constraints, strand constraints, // sheet constraints, ssbonds, hbonds, or just arbitrary pairs of atoms. include T0365.t2k.dssp-ehl2.constraints // include T0365.undertaker-align.sheets // include culled rr.t2k.constraints Constraint A96.CB L208.CB -10. 7.0 14.0 0.581746351925 Constraint M78.CB I202.CB -10. 7.0 14.0 0.526920474913 Constraint I139.CB L179.CB -10. 7.0 14.0 0.441016781963 bonus Constraint I54.CB L85.CB -10. 7.0 14.0 0.372859926316 bonus Constraint L165.CB L208.CB -10. 7.0 14.0 0.364571928571 bonus Constraint I139.CB M161.CB -10. 7.0 14.0 0.347484215592 bonus Constraint I54.CB I95.CB -10. 7.0 14.0 0.337033377871 bonus Constraint I162.CB V195.CB -10. 7.0 14.0 0.303515752116 bonus Constraint I139.CB V158.CB -10. 7.0 14.0 0.301077258599 bonus