CreatePredAlphaCost pred_alpha2k alpha11 T0262.t2k.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha04 alpha11 T0262.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 1 \ hbond_geom_backbone 1 \ hbond_geom_beta 5 \ hbond_geom_beta_pair 10 // 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 T0262.t2k.dssp-ehl2.constraints HelixConstraint L195 T201 0.7129 HelixConstraint V216 R221 0.7397 HelixConstraint P241 I244 0.6547 StrandConstraint A210 V214 0.7975 StrandConstraint K225 M229 0.6181 StrandConstraint V233 V236 0.7102 SheetConstraint K225 R228 V236 V233 hbond R228 20 # s10 ^v s11