CreatePredAlphaCost pred_alpha2k alpha11 T0234.t2k.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha04 alpha11 T0234.t04.alpha.rdb 2 alpha alpha_prev sum SetCost wet6.5 3 near_backbone 3 way_back 3 dry5 10 dry6.5 20 dry8 15 dry12 2 \ phobic_fit 2 \ sidechain 6 \ bystroff 5 \ soft_clashes 30 backbone_clashes 2 \ break 80 \ 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. # from the first alignment: HelixConstraint L4 G13 HelixConstraint A55 N64 HelixConstraint E97 V106 HelixConstraint Q109 Q116 HelixConstraint G144 I149 SheetConstraint Q19 S27 F39 I31 hbond A21 SheetConstraint A21 T25 F71 V67 hbond I22 SheetConstraint I41 D43 Y48 N46 hbond D43 SheetConstraint N46 S52 T133 F127 hbond I47 SheetConstraint P65 F71 A93 L87 hbond V67 SheetConstraint R85 C91 I141 K135 hbond R86 SheetConstraint D90 I96 K135 I129 hbond T94 Constraint F14.CZ L87.CG 3 4 6 8