CreatePredAlphaCost pred_alpha2k alpha11 T0237.t2k.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha04 alpha11 T0237.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 30 \ hbond_geom 1 \ hbond_geom_backbone 1 \ hbond_geom_beta 4 \ 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 T0237.t2k.dssp-ehl2.constraints include T0237.t2k.dssp-ebghstl.constraints include T0237.t2k.stride-ebghtl.constraints include T0237.t2k.str2.constraints include T0237.t2k.alpha.constraints include T0237.t2k.bys.constraints include T0237.t04.dssp-ehl2.constraints include T0237.t04.dssp-ebghstl.constraints include T0237.t04.stride-ebghtl.constraints include T0237.t04.str2.constraints include T0237.t04.alpha.constraints include T0237.t04.bys.constraints # from original papers on 1hnf SSBond C150 C120 1.0 SSBond C178 C166 1.0 SSBond C205 C52 1.0 SSBond C312 C240 1.0 SSBond C321 C223 1.0 SSbond C346 C402 1.0 SSBond C390 C407 1.0 SSBond C392 C409 1.0