CreatePredAlphaCost pred_alpha2k alpha11 T0370.t2k.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha04 alpha11 T0370.t04.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha06 alpha11 T0370.t06.alpha.rdb 2 alpha alpha_prev sum SetCost wet6.5 15 near_backbone 5 way_back 5 dry5 35 dry6.5 40 dry8 20 dry12 5 \ phobic_fit 2 \ sidechain 5 \ n_ca_c 30 bad_peptide 35 \ bystroff 5 \ soft_clashes 100 backbone_clashes 2 \ break 240 \ pred_alpha2k 2 \ pred_alpha04 2 \ pred_alpha06 2 \ constraints 12 \ hbond_geom 5 \ hbond_geom_backbone 10 \ hbond_geom_beta 50 \ hbond_geom_beta_pair 100 \ missing_atoms 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 T0370.dssp-ehl2.constraints //include T0370.undertaker-align.sheets //include rr.constraints SheetConstraint (T0370)R129 (T0370)E135 (T0370)M145 (T0370)L139 hbond (T0370)R134 10