CreatePredAlphaCost pred_alpha2k alpha11 T0241.t2k.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha04 alpha11 T0241.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 20 \ 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 // 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 Y8 L16 1 HelixConstraint L25 L30 1 HelixConstraint Y93 K103 1 HelixConstraint Q136 K142 1 HelixConstraint Q223 S234 1 StrandConstraint V4 F6 0.3 StrandConstraint E45 M49 1 StrandConstraint K52 I56 1 StrandConstraint L62 E64 1 StrandConstraint F73 H78 1 # StrandConstraint F110 T126 0.6689 StrandConstraint V109 L115 1 StrandConstraint M121 T126 1 StrandConstraint G154 F159 1 StrandConstraint L175 I178 0.5 StrandConstraint H187 D194 01 StrandConstraint A196 S201 1 StrandConstraint E205 Q209 1 SheetConstraint M46 M49 Q55 K52 hbond I47 SheetConstraint Y54 D57 E64 K61 hbond Q55 SheetConstraint H174 I178 L191 H187