CreatePredAlphaCost pred_alpha2k alpha11 T0216.t2k.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha04 alpha11 T0216.t04.alpha.rdb 2 alpha alpha_prev sum SetCost wet6.5 3 near_backbone 3 way_back 3 dry5 5 dry6.5 6 dry8 5 dry12 2 \ phobic_fit 2 \ sidechain 6 \ bystroff 5 \ soft_clashes 10 backbone_clashes 2 \ break 20 \ pred_alpha2k 3 \ pred_alpha04 3 \ constraints 10 \ hbond_geom 0.1 \ hbond_geom_backbone 0.1 \ hbond_geom_beta 0.4 \ hbond_geom_beta_pair 1 // 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 T0216.t2k.dssp-ehl2.constraints # include T0216.t2k.dssp-ebghstl.constraints # include T0216.t2k.stride-ebghtl.constraints # include T0216.t2k.str2.constraints # include T0216.t2k.alpha.constraints # include T0216.t2k.bys.constraints include T0216.t04.dssp-ehl2.constraints include T0216.t04.dssp-ebghstl.constraints include T0216.t04.stride-ebghtl.constraints include T0216.t04.str2.constraints include T0216.t04.alpha.constraints include T0216.t04.bys.constraints # added bonus RR constraints for try2 Constraint L235.CB A245.CB -10. 7.0 14.0 8.94 bonus Constraint G361.CA N399.CB -10. 7.0 14.0 8.69 bonus Constraint P241.CB A422.CB -10. 7.0 14.0 8.59 bonus Constraint E360.CB K378.CB -10. 7.0 14.0 8.55 bonus Constraint M350.CB V382.CB -10. 7.0 14.0 8.53 bonus Constraint R330.CB I421.CB -10. 7.0 14.0 8.5 bonus Constraint E237.CB R330.CB -10. 7.0 14.0 8.37 bonus Constraint E246.CB L375.CB -10. 7.0 14.0 8.22 bonus Constraint M227.CB V359.CB -10. 7.0 14.0 8.13 bonus Constraint G361.CA A377.CB -10. 7.0 14.0 8.08 bonus Constraint A245.CB I329.CB -10. 7.0 14.0 8.06 bonus Constraint S244.CB P331.CB -10. 7.0 14.0 8.02 bonus Constraint F373.CB G398.CA -10. 7.0 14.0 8.0 bonus Constraint E360.CB I369.CB -10. 7.0 14.0 7.9 bonus Constraint M236.CB I421.CB -10. 7.0 14.0 7.86 bonus Constraint P241.CB R330.CB -10. 7.0 14.0 7.72 bonus Constraint P241.CB I421.CB -10. 7.0 14.0 7.65 bonus Constraint M238.CB R330.CB -10. 7.0 14.0 7.43 bonus Constraint F373.CB N399.CB -10. 7.0 14.0 7.41 bonus Constraint I240.CB I421.CB -10. 7.0 14.0 7.36 bonus Constraint I270.CB L334.CB -10. 7.0 14.0 7.32 bonus Constraint E237.CB A422.CB -10. 7.0 14.0 7.29 bonus Constraint L375.CB I421.CB -10. 7.0 14.0 7.15 bonus Constraint D272.CB K295.CB -10. 7.0 14.0 7.15 bonus Constraint M236.CB R330.CB -10. 7.0 14.0 7.1 bonus Constraint L232.CB S244.CB -10. 7.0 14.0 7.05 bonus Constraint P241.CB P331.CB -10. 7.0 14.0 7.02 bonus Constraint A245.CB V332.CB -10. 7.0 14.0 7.0 bonus Constraint E360.CB G398.CA -10. 7.0 14.0 6.95 bonus Constraint S244.CB R330.CB -10. 7.0 14.0 6.92 bonus Constraint F239.CB T420.CB -10. 7.0 14.0 6.84 bonus Constraint E237.CB P331.CB -10. 7.0 14.0 6.84 bonus Constraint G361.CA G398.CA -10. 7.0 14.0 6.82 bonus Constraint A377.CB I394.CB -10. 7.0 14.0 6.79 bonus Constraint E372.CB N399.CB -10. 7.0 14.0 6.77 bonus Constraint I329.CB T420.CB -10. 7.0 14.0 6.77 bonus Constraint L233.CB R330.CB -10. 7.0 14.0 6.77 bonus Constraint L232.CB I396.CB -10. 7.0 14.0 6.77 bonus Constraint M236.CB P331.CB -10. 7.0 14.0 6.74 bonus Constraint I240.CB R330.CB -10. 7.0 14.0 6.69 bonus Constraint V225.CB V359.CB -10. 7.0 14.0 6.69 bonus Constraint I240.CB P331.CB -10. 7.0 14.0 6.66 bonus Constraint E237.CB I421.CB -10. 7.0 14.0 6.66 bonus Constraint Q22.CB K54.CB -10. 7.0 14.0 6.66 bonus Constraint G353.CA I387.CB -10. 7.0 14.0 6.61 bonus Constraint F239.CB R330.CB -10. 7.0 14.0 6.61 bonus Constraint K378.CB I394.CB -10. 7.0 14.0 6.58 bonus Constraint P241.CB L375.CB -10. 7.0 14.0 6.55 bonus Constraint A231.CB I396.CB -10. 7.0 14.0 6.55 bonus Constraint M236.CB L334.CB -10. 7.0 14.0 6.53 bonus Constraint Q22.CB G361.CA -10. 7.0 14.0 6.53 bonus Constraint D234.CB I396.CB -10. 7.0 14.0 6.5 bonus Constraint M227.CB E360.CB -10. 7.0 14.0 6.5 bonus Constraint V355.CB V382.CB -10. 7.0 14.0 6.44 bonus Constraint L33.CB A377.CB -10. 7.0 14.0 6.42 bonus Constraint E360.CB A377.CB -10. 7.0 14.0 6.39 bonus Constraint M236.CB G328.CA -10. 7.0 14.0 6.39 bonus Constraint S24.CB K54.CB -10. 7.0 14.0 6.39 bonus Constraint I240.CB A422.CB -10. 7.0 14.0 6.36 bonus Constraint G361.CA S370.CB -10. 7.0 14.0 6.3 bonus Constraint P331.CB A422.CB -10. 7.0 14.0 6.28 bonus Constraint E246.CB I421.CB -10. 7.0 14.0 6.28 bonus Constraint P241.CB S374.CB -10. 7.0 14.0 6.28 bonus Constraint P331.CB I421.CB -10. 7.0 14.0 6.25 bonus Constraint G361.CA G371.CA -10. 7.0 14.0 6.22 bonus Constraint E237.CB L375.CB -10. 7.0 14.0 6.22 bonus Constraint L233.CB I396.CB -10. 7.0 14.0 6.22 bonus Constraint L375.CB T420.CB -10. 7.0 14.0 6.19 bonus