CreatePredAlphaCost pred_alpha2k alpha11 T0203.t2k.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha04 alpha11 T0203.t04.alpha.rdb 2 alpha alpha_prev sum SetCost wet6.5 3 near_backbone 3 way_back 3 dry5 5 dry6.5 6 dry8 8 dry12 8 \ phobic_fit 5 \ sidechain 6 \ bystroff 5 \ soft_clashes 10 backbone_clashes 2 \ break 40 \ pred_alpha04 5 \ pred_alpha2k 5 \ constraints 60 \ hbond_geom 0.1 \ hbond_geom_backbone 0.2 \ hbond_geom_beta 0.4 \ hbond_geom_beta_pair 1.5 // Add the following for extra-cellular proteins: # known_ssbond 0.5 # and add SSbond commands # 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. include T0203.t04.stride-ebghtl.constraints include T0203.t04.str2.constraints include T0203.t04.alpha.constraints include T0203.t04.bys.constraints include T0203.t04.dssp-ebghstl.constraints include T0203.t04.dssp-ehl2.constraints include T0203.t2k.stride-ebghtl.constraints include T0203.t2k.str2.constraints include T0203.t2k.alpha.constraints include T0203.t2k.bys.constraints include T0203.t2k.dssp-ebghstl.constraints include T0203.t2k.dssp-ehl2.constraints # file generated by validate2rr # based on 104 inputs. # limited to raw score .7 or greater Constraint S90.CB A124.CB -10. 7.0 12.0 0.952 Constraint V237.CB I271.CB -10. 7.0 12.0 0.924 Constraint S90.CB W120.CB -10. 7.0 12.0 0.778 Constraint V236.CB I274.CB -10. 7.0 12.0 0.741