CreatePredAlphaCost pred_alpha2k alpha11 T0364.t2k.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha04 alpha11 T0364.t04.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha06 alpha11 T0364.t06.alpha.rdb 2 alpha alpha_prev sum SetCost wet6.5 15 near_backbone 5 way_back 5 dry5 20 dry6.5 25 dry8 17 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 \ missing_atoms 1 \ maybe_metal 0.5 \ // 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 T0364.dssp-ehl2.constraints //include T0364.undertaker-align.sheets //include rr.constraints //Sheet constraints from try1-opt2 SheetConstraint (T0364)I5 (T0364)V11 (T0364)T79 (T0364)T73 hbond (T0364)I5 1 SheetConstraint (T0364)S55 (T0364)L59 (T0364)V114 (T0364)M110 hbond (T0364)S55 1 SheetConstraint (T0364)E60 (T0364)L66 (T0364)M110 (T0364)L104 hbond (T0364)E60 1 SheetConstraint (T0364)V75 (T0364)L82 (T0364)R97 (T0364)H90 hbond (T0364)W76 1 SheetConstraint (T0364)G83 (T0364)D85 (T0364)H90 (T0364)R88 hbond (T0364)G83 1 SheetConstraint (T0364)K87 (T0364)L95 (T0364)H113 (T0364)A105 hbond (T0364)L89 1 SheetConstraint (T0364)H113 (T0364)L116 (T0364)A122 (T0364)P119 hbond (T0364)D115 1 //Helix constraints from try1-opt2 HelixConstraint (T0364)A25 (T0364)I42 1 HelixConstraint (T0364)D45 (T0364)G50 1 HelixConstraint (T0364)G125 (T0364)E140 1 HelixConstraint (T0364)Q143 (T0364)L154 1