CreatePredAlphaCost pred_alpha2k alpha11 T0383.t2k.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha04 alpha11 T0383.t04.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha06 alpha11 T0383.t06.alpha.rdb 2 alpha alpha_prev sum SetCost wet6.5 15 near_backbone 5 way_back 5 dry5 15 dry6.5 20 dry8 15 dry12 5 \ phobic_fit 2 \ sidechain 5 \ n_ca_c 5 bad_peptide 10 \ bystroff 5 \ soft_clashes 30 backbone_clashes 3 \ break 100 \ pred_alpha2k 2 \ pred_alpha04 2 \ pred_alpha06 2 \ constraints 10 \ hbond_geom 5 \ hbond_geom_backbone 10 \ hbond_geom_beta 50 \ hbond_geom_beta_pair 100 \ missing_atoms 1 \ maybe_metal 0.5 \ maybe_ssbond 1 // remove maybe_ssbond weight if protein known to be in reducing environment. // remove maybe_metal weight if protein known to have disulfides or // known not to bind metal ions. // Add the following for extra-cellular proteins: # known_ssbond 0.5 # and put ssbond command in constraints file // 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 T0383.dssp-ehl2.constraints include T0383.undertaker-align.sheets include rr.constraints //from try1-opt2.sheets SheetConstraint L6 E9 G81 H78 hbond K7 1 SheetConstraint Q10 S14 H78 S74 hbond Q10 1 SheetConstraint Q15 A20 S74 I69 hbond H17 1 SheetConstraint Q50 I62 D80 V68 hbond V51 1 SheetConstraint M61 V63 V68 K66 hbond V63 1 //changed this SheetConstraint P32 H45 I62 Q50 hbond E34 1