CreatePredAlphaCost pred_alpha2k alpha11 T0245.t2k.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha04 alpha11 T0245.t04.alpha.rdb 2 alpha alpha_prev sum SetCost wet6.5 10 near_backbone 3 way_back 3 dry5 10 dry6.5 20 dry8 10 dry12 5 \ phobic_fit 2 \ sidechain 6 \ bystroff 5 \ soft_clashes 20 backbone_clashes 2 \ break 50 \ pred_alpha2k 2 \ pred_alpha04 5 \ constraints 5 \ 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 try2-opt2.sheets SheetConstraint V41 L43 A102 H100 hbond V41 SheetConstraint L43 S47 V101 P97 hbond C46 SheetConstraint G48 L55 P96 V89 hbond R49 SheetConstraint R49 V53 H71 L67 hbond I50 SheetConstraint A51 L55 G68 S64 hbond D54 SheetConstraint A90 Y95 V146 R141 hbond L92 SheetConstraint I98 C103 A137 Y132 hbond I99 SheetConstraint S124 I127 I136 V133 hbond G125 #from try2-opt2.helices HelixConstraint Y14 N19 HelixConstraint D24 S36 HelixConstraint E75 R85 HelixConstraint I106 G120 HelixConstraint D155 D196