CreatePredAlphaCost pred_alpha2k alpha11 T0338.t2k.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha04 alpha11 T0338.t04.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha06 alpha11 T0338.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 \ 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 T0338.dssp-ehl2.constraints #include T0338.undertaker-align.sheets include rr.constraints #include constraints from try1.opt2 alignment HelixConstraint (T0338)A1 (T0338)E10 HelixConstraint (T0338)T8 (T0338)E13 HelixConstraint (T0338)E27 (T0338)N46 HelixConstraint (T0338)S48 (T0338)H66 HelixConstraint (T0338)N72 (T0338)E88 HelixConstraint (T0338)K93 (T0338)A101 HelixConstraint (T0338)P107 (T0338)K115 HelixConstraint (T0338)E125 (T0338)G138 HelixConstraint (T0338)H145 (T0338)V151 HelixConstraint (T0338)D149 (T0338)T154 HelixConstraint (T0338)K152 (T0338)R158 HelixConstraint (T0338)S160 (T0338)S174 HelixConstraint (T0338)K185 (T0338)S201 HelixConstraint (T0338)S208 (T0338)W215 HelixConstraint (T0338)T223 (T0338)Q236 HelixConstraint (T0338)N243 (T0338)N250