CreatePredAlphaCost pred_alpha2k alpha11 T0263.t2k.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha04 alpha11 T0263.t04.alpha.rdb 2 alpha alpha_prev sum SetCost wet6.5 10 near_backbone 5 way_back 5 dry5 15 dry6.5 20 dry8 10 dry12 5 \ phobic_fit 2 \ sidechain 1 \ bystroff 10 \ soft_clashes 10 backbone_clashes 2 \ break 20 \ pred_alpha2k 1 \ pred_alpha04 1 \ constraints 10 \ hbond_geom 1 \ hbond_geom_backbone 1 \ hbond_geom_beta 5 \ hbond_geom_beta_pair 15 // 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 T0263.t04.dssp-ehl2.constraints in the monomer HelixConstraint G16 N31 6.339 HelixConstraint E59 N75 8.062 StrandConstraint L4 F9 6.147 StrandConstraint L37 E43 6.113 StrandConstraint A50 F56 6.195 StrandConstraint V81 D87 7.319 # hand-picked constraint StrandConstraint Q94 A101 10 #repeated for the second part of the new monomer (from dimer) HelixConstraint G117 N132 6.339 HelixConstraint E160 N176 8.062 StrandConstraint L105 F110 6.147 StrandConstraint L138 E144 6.113 StrandConstraint A151 F157 6.195 StrandConstraint V182 D188 7.319 # hand-picked constraint StrandConstraint Q195 A202 10 #from dimer1.sheets SheetConstraint A2 F11 T57 H48 hbond T3 10 SheetConstraint T3 F9 N89 A83 hbond L4 10 SheetConstraint H8 N12 A83 E79 hbond A10 10 SheetConstraint G35 E43 T57 E49 hbond L37 10 SheetConstraint A103 F112 T158 H149 hbond T104 10 SheetConstraint T104 F110 N190 A184 hbond L105 10 SheetConstraint H109 N113 A184 E180 hbond A111 10 SheetConstraint G136 E144 T158 E150 hbond L138 10 # make sheet constraints to connect the two ends SheetConstraint L37 T42 A202 N197 hbond V40 20 SheetConstraint L138 T143 A101 N96 hbond V141 20