#From whole-chain try3.costfcn SetCost wet6.5 3 near_backbone 3 way_back 3 dry5 5 dry6.5 6 dry8 5 dry12 2 \ sidechain 6 \ bystroff 5 \ soft_clashes 10 backbone_clashes 2 \ break 20 \ pred_alpha2 5 \ constraints 20 \ hbond_geom 0.1 \ hbond_geom_backbone 0.1 \ hbond_geom_beta 0.4 \ hbond_geom_beta_pair 1 \ phobic_fit 2 // 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, // ssbond, hbond, or just arbitrary pairs of atoms. //removed due to redundancy # from T0206.t2k.dssp-ehl2.constraints #StrandConstraint V110 S112 0.668 #StrandConstraint T125 S129 0.6488 #StrandConstraint F133 T142 0.6091 //or is it F133-N141, as below? #StrandConstraint V147 V155 0.6331 #StrandConstraint P159 G162 0.6518 #StrandConstraint S187 I192 0.662 #StrandConstraint G197 L202 0.7972 #HelixConstraint I208 H216 0.62 # from T0206.t2k.str2.constraints StrandConstraint V110 S112 0.822 StrandConstraint I118 S119 0.626 StrandConstraint T125 S129 0.792 StrandConstraint F133 N141 0.849 StrandConstraint V147 V155 0.675 StrandConstraint P159 G162 0.713 StrandConstraint S187 I192 0.848 StrandConstraint G197 L202 0.818 HelixConstraint V213 H216 0.616