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 40 backbone_clashes 2 \ break 100 \ 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 #including T0338.dssp-ehl2.constraints HelixConstraint T8 E13 0.632 HelixConstraint A24 R44 0.8305 HelixConstraint Q49 M64 0.7131 HelixConstraint K73 E88 0.6162 HelixConstraint L94 C104 0.6655 HelixConstraint Q122 T136 0.6807 StrandConstraint I141 T142 0.6532 HelixConstraint T148 V157 0.6469 HelixConstraint K161 S174 0.6742 HelixConstraint P186 W200 0.809 HelixConstraint L224 E239 0.7605 # Extra helix contrains HelixConstraint A101 L108 0.632