CreatePredAlphaCost pred_alpha2k alpha11 T0231.t2k.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha04 alpha11 T0231.t04.alpha.rdb 2 alpha alpha_prev sum SetCost wet6.5 3 near_backbone 3 way_back 3 dry5 10 dry6.5 20 dry8 10 dry12 2 \ phobic_fit 2 \ sidechain 6 \ bystroff 5 \ soft_clashes 30 backbone_clashes 2 \ break 50 \ 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. # helices and sheets from try1-opt2 HelixConstraint D11 E16 HelixConstraint L14 F23 HelixConstraint S53 E60 HelixConstraint K97 M102 HelixConstraint Q100 K108 HelixConstraint S107 A115 HelixConstraint T130 R142 SheetConstraint A30 I33 Q50 D47 hbond A31 SheetConstraint A31 M34 Y71 F68 hbond I32 SheetConstraint I33 K38 E46 Q41 hbond K35 SheetConstraint M42 V43 E9 V10 hbond V43 SheetConstraint P66 S72 S92 L86 hbond R67 SheetConstraint K74 H77 Y84 R81 hbond Y75 SheetConstraint C87 S92 K119 R124 hbond F88