CreatePredAlphaCost pred_alpha2k alpha11 T0252.t2k.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha04 alpha11 T0252.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 T0252.t04.dssp-ehl2.constraints HelixConstraint N5 F18 0.7035 StrandConstraint A41 T47 0.7107 StrandConstraint V52 S54 0.8034 StrandConstraint R61 E65 0.6068 HelixConstraint K69 D79 0.6977 HelixConstraint P82 K88 0.8299 HelixConstraint A118 S125 0.617 HelixConstraint V132 L146 0.8656 HelixConstraint D155 Q159 0.6244 HelixConstraint F166 S177 0.806 HelixConstraint A185 C196 0.6219 HelixConstraint T202 A214 0.6061 HelixConstraint A228 N230 0.6198 HelixConstraint P232 M238 0.6162 StrandConstraint G265 V270 0.6158 StrandConstraint M274 F279 0.7294 HelixConstraint V290 Q302 0.7303 #from align1.sheets SheetConstraint A41 T47 S280 M274 hbond A42 SheetConstraint A42 T47 G56 N51 hbond V43 SheetConstraint R61 L64 N201 T198 hbond F62 SheetConstraint G216 P219 V225 H222 hbond N218 SheetConstraint P257 G261 V269 G265 hbond K259 SheetConstraint G264 V270 S280 M274 hbond I266