CreatePredAlphaCost pred_alpha2k alpha11 T0212.t2k.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha04 alpha11 T0212.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 0.8 \ 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, // ssbond, hbond, or just arbitrary pairs of atoms. StrandConstraint S7 T14 0.661 StrandConstraint K27 N38 0.611 StrandConstraint Q42 D55 0.623 StrandConstraint K59 E71 0.635 StrandConstraint P73 P77 0.633 StrandConstraint Y81 T84 0.784 StrandConstraint T87 L89 0.856 StrandConstraint I95 S104 0.693 StrandConstraint H109 I114 0.782 SheetConstraint D25 I36 P92 Y81 hbond Y32 10 SheetConstraint A56 T54 K59 S61 hbond A56 3 SheetConstraint T54 E47 E62 V69 hbond I52 5 SheetConstraint A43 W51 V103 I95 hbond T99 3 SheetConstraint R9 I17 V103 I95 Hbond Y100 3 SheetConstraint H109 F117 I37 L29 Hbond S31 3 SheetConstraint H109 I114 K13 I8 Hbond N111 5 SheetConstraint T99 S104 T14 R9 Hbond V10 5 # Sheetconstraint F30 I34 I114 F110 hbond T33 7 # Sheetconstraint H50 I53 G101 G98 hbond I53 4