CreatePredAlphaCost pred_alpha2k alpha11 T0243.t2k.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha04 alpha11 T0243.t04.alpha.rdb 2 alpha alpha_prev sum SetCost wet6.5 3 near_backbone 3 way_back 3 dry5 10 dry6.5 11 dry8 10 dry12 7 \ phobic_fit 8 \ 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. # include T0243.t2k.dssp-ehl2.constraints # include T0243.t2k.dssp-ebghstl.constraints # include T0243.t2k.stride-ebghtl.constraints # include T0243.t2k.str2.constraints # include T0243.t2k.alpha.constraints # include T0243.t2k.bys.constraints # # include T0243.t04.dssp-ehl2.constraints # include T0243.t04.dssp-ebghstl.constraints # include T0243.t04.stride-ebghtl.constraints # include T0243.t04.str2.constraints # include T0243.t04.alpha.constraints # include T0243.t04.bys.constraints # from try9-opt2 HelixConstraint (T0243)I3 (T0243)I13 HelixConstraint (T0243)L18 (T0243)E26 HelixConstraint (T0243)S32 (T0243)I40 HelixConstraint (T0243)V46 (T0243)D57 HelixConstraint (T0243)T74 (T0243)C93 # from try4-opt2 SheetConstraint R29 E33 L73 K69 hbond R31 10 SheetConstraint I59 A65 T74 G68 hbond R61 10