CreatePredAlphaCost pred_alpha2k alpha11 T0289.t2k.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha04 alpha11 T0289.t04.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha06 alpha11 T0289.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 10 \ hbond_geom 5 \ hbond_geom_backbone 10 \ hbond_geom_beta 50 \ hbond_geom_beta_pair 100 \ 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 T0289.dssp-ehl2.constraints # include T0289.undertaker-align.sheets # include rr.constraints # From the undertaker-align.sheets SheetConstraint (T0289)K11 (T0289)G17 (T0289)Y108 (T0289)L114 hbond (T0289)K12 41.5751 SheetConstraint (T0289)K11 (T0289)G18 (T0289)L45 (T0289)T52 hbond (T0289)I13 41.5751 SheetConstraint (T0289)D109 (T0289)N116 (T0289)K171 (T0289)V178 hbond (T0289)V111 41.5751 SheetConstraint (T0289)N116 (T0289)T117 (T0289)G179 (T0289)P180 hbond (T0289)T117 41.5751 SheetConstraint (T0289)C123 (T0289)L127 (T0289)V178 (T0289)V174 hbond (T0289)T124 41.5751 SheetConstraint (T0289)T124 (T0289)L127 (T0289)P150 (T0289)V153 hbond (T0289)L125 41.5751 SheetConstraint (T0289)L149 (T0289)V153 (T0289)I219 (T0289)K223 hbond (T0289)C151 41.5751 # New constraints: SheetConstraint (T0289)P259 (T0289)S261 (T0289)L271 (T0289)K267 hbond (T0289)V260 10 SheetConstraint (T0289)K267 (T0289)L271 (T0289)P279 (T0289)C275 hbond (T0289)I269 10