CreatePredAlphaCost pred_alpha2k alpha11 T0239.t2k.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha04 alpha11 T0239.t04.alpha.rdb 2 alpha alpha_prev sum SetCost wet6.5 10 near_backbone 5 way_back 5 dry5 15 dry6.5 20 dry8 15 dry12 5 \ phobic_fit 2 \ sidechain 6 \ bystroff 5 \ soft_clashes 10 backbone_clashes 2 \ break 20 \ pred_alpha2k 2 \ pred_alpha04 4 \ constraints 20 \ hbond_geom 1 \ hbond_geom_backbone 1 \ hbond_geom_beta 6 \ hbond_geom_beta_pair 10 \ known_ssbond 1 // Add the following for extra-cellular proteins: # 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, // sheet constraints, ssbonds, hbonds, or just arbitrary pairs of atoms. # include T0239.t2k.dssp-ehl2.constraints # include T0239.t2k.dssp-ebghstl.constraints # include T0239.t2k.stride-ebghtl.constraints # include T0239.t2k.str2.constraints # include T0239.t2k.alpha.constraints # include T0239.t2k.bys.constraints include T0239.t04.dssp-ehl2.constraints include T0239.t04.dssp-ebghstl.constraints include T0239.t04.stride-ebghtl.constraints include T0239.t04.str2.constraints include T0239.t04.alpha.constraints include T0239.t04.bys.constraints # Twelfth combination of 3 pairs of Cys residues for disulfide bonds SSBond C22 C54 1.0 SSBond C24 C34 1.0 SSBond C80 C83 1.0