CreatePredAlphaCost pred_alpha2k alpha11 T0268.t2k.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha04 alpha11 T0268.t04.alpha.rdb 2 alpha alpha_prev sum SetCost wet6.5 15 near_backbone 3 way_back 3 dry5 15 dry6.5 25 dry8 15 dry12 5 \ phobic_fit 2 \ sidechain 4 \ bystroff 5 \ soft_clashes 30 backbone_clashes 2 \ break 60 \ pred_alpha2k 3 \ pred_alpha04 5 \ 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 T0268.t04.dssp-ehl2.constraints HelixConstraint P8 L17 0.6848 HelixConstraint A37 L41 0.6117 HelixConstraint P54 G62 0.6267 HelixConstraint F75 A84 0.6511 HelixConstraint A130 N135 0.6094 HelixConstraint L139 E148 0.8802 HelixConstraint Q154 E167 0.6408 HelixConstraint T174 A184 0.8144 HelixConstraint A194 V222 0.7261 HelixConstraint L237 R247 0.7707 HelixConstraint E263 A267 0.8333 StrandConstraint V25 A29 0.6856 StrandConstraint R46 L50 0.7794 StrandConstraint T69 V71 0.8105 StrandConstraint G92 D96 0.6296 StrandConstraint R228 A233 0.7037 StrandConstraint K252 L254 0.6074 # from decoys/try1-opt2.sheets SheetConstraint Y26 D28 V47 G49 hbond Y26 SheetConstraint Y26 A29 G92 A95 hbond V27 SheetConstraint I48 D51 T69 Q72 hbond G49 SheetConstraint R89 V90 V222 L223 hbond V90 SheetConstraint D91 L97 G227 A233 hbond I93 SheetConstraint G227 F234 K282 A275 hbond L229 SheetConstraint G250 L254 E283 A279 hbond K252 SheetConstraint L259 V260 L277 K276 hbond L259