# CreatePredAlphaCost pred_alpha2k alpha11 T0253.t2k.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha04 alpha11 T0253.t04.alpha.rdb 2 alpha alpha_prev sum SetCost wet6.5 10 near_backbone 3 way_back 3 dry5 10 dry6.5 20 dry8 10 dry12 5 \ phobic_fit 2 \ sidechain 6 \ bystroff 5 \ soft_clashes 20 backbone_clashes 2 \ break 50 \ pred_alpha04 6 \ constraints 10 \ hbond_geom 1 \ hbond_geom_backbone 1 \ hbond_geom_beta 5 \ hbond_geom_beta_pair 15 // Add the following for extra-cellular proteins: # known_ssbond 0.5 # and put ssbond command in constraints file # maybe_ssbond 0.5 // 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. #from T0253.t04.dssp-ehl2.constraints HelixConstraint E2 I8 0.7048 HelixConstraint P32 F46 0.7674 HelixConstraint A63 K71 0.7413 HelixConstraint Q131 Q142 0.676 HelixConstraint R162 K167 0.6799 HelixConstraint L181 E183 0.6245 StrandConstraint K53 T56 0.7552 StrandConstraint V76 R80 0.6043 StrandConstraint Q106 V109 0.7888 StrandConstraint H119 D124 0.6162 StrandConstraint I147 I154 0.8086 StrandConstraint V172 R177 0.6543