CreatePredAlphaCost pred_alpha2k alpha11 T0230.t2k.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha04 alpha11 T0230.t04.alpha.rdb 2 alpha alpha_prev sum SetCost wet6.5 3 near_backbone 3 way_back 3 dry5 5 dry6.5 6 dry8 5 dry12 2 \ phobic_fit 2 \ sidechain 6 \ bystroff 5 \ soft_clashes 10 backbone_clashes 2 \ break 40 \ pred_alpha2k 3 \ pred_alpha04 3 \ constraints 10 \ hbond_geom 0.1 \ hbond_geom_backbone 0.1 \ hbond_geom_beta 0.4 \ hbond_geom_beta_pair 1.5 // 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. HelixConstraint K9 N18 10 HelixConstraint P57 K72 10 HelixConstraint P96 F102 10 StrandConstraint L33 D40 10 # StrandConstraint N44 M51 10 # StrandConstraint N78 F85 10 # using a couple of hints from rr constraints # also try2-opt2.sheets SheetConstraint V45 M51 V79 F85 hbond L46 # Constraint Y35.CB M49.CB 0. 3 7 10 10