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 5 near_backbone 5 way_back 5 dry5 15 dry6.5 20 dry8 15 dry12 5 \ phobic_fit 2 \ sidechain 1 \ bystroff 5 \ soft_clashes 10 backbone_clashes 2 \ break 30 \ 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 K77 R84 0.6209 HelixConstraint P87 R89 0.6728 HelixConstraint V102 K111 0.6628 HelixConstraint E119 L127 0.7678 HelixConstraint E170 E178 0.7044 HelixConstraint L195 A198 0.7703 StrandConstraint Y134 L136 0.8002 #StrandConstraint E140 R144 0.6218 #StrandConstraint I163 Y165 0.6557 #StrandConstraint K188 L191 0.6197 # from try1-opt2 SheetConstraint G98 R101 N138 E135 hbond A100 8.0 SheetConstraint P150 N152 K188 R186 hbond V151 8.0