CreatePredAlphaCost pred_alpha2k alpha11 T0342.t2k.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha04 alpha11 T0342.t04.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha06 alpha11 T0342.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 5 \ sidechain 7 \ n_ca_c 7 bad_peptide 15 \ bystroff 5 \ soft_clashes 80 backbone_clashes 2 \ break 180 \ pred_alpha2k 2 \ pred_alpha04 2 \ pred_alpha06 2 \ constraints 15 \ hbond_geom 5 \ hbond_geom_backbone 10 \ hbond_geom_beta 50 \ hbond_geom_beta_pair 100 \ missing_atoms 1 \ maybe_metal 0.5 # from T0342.dssp-ehl2.constraints StrandConstraint F17 A21 0.6499 HelixConstraint T28 L33 0.7687 StrandConstraint C42 L46 0.6581 StrandConstraint F49 F53 0.6028 StrandConstraint I68 Q73 0.621 StrandConstraint E78 K85 0.624 HelixConstraint K88 Q97 0.6922 StrandConstraint V107 A113 0.6459 StrandConstraint E119 L126 0.6149 HelixConstraint P137 E149 0.8513 HelixConstraint L154 A162 0.7088 HelixConstraint E174 K181 0.7107 # from decoys/try1-opt2.sheets SheetConstraint S16 A21 N87 V82 hbond F17 10 SheetConstraint F41 D48 W84 D77 hbond C42 10 SheetConstraint V43 L46 Q115 V112 hbond R45 10 SheetConstraint F49 N55 Q73 G67 hbond K50 10 SheetConstraint Y105 T114 M127 K118 hbond I108 10 SheetConstraint C122 S124 L18 F20 hbond R123 10 # from rr.constraints (involving residues >= 130) Constraint I71.CB Q157.CB -10. 7.0 14.0 0.0483216967325 Constraint Y19.CB Y139.CB -10. 7.0 14.0 0.0475982486268 Constraint I143.CB Q157.CB -10. 7.0 14.0 0.046353901906 Constraint I71.CB I143.CB -10. 7.0 14.0 0.0423564803182 Constraint F20.CB I143.CB -10. 7.0 14.0 0.0392444080794 Constraint I143.CB L160.CB -10. 7.0 14.0 0.0362491961644 Constraint C122.CB I143.CB -10. 7.0 14.0 0.0350544239925 Constraint S124.CB I143.CB -10. 7.0 14.0 0.0350347722587 Constraint A21.CB I68.CB -10. 7.0 14.0 0.034749478922 Constraint L94.CB V112.CB -10. 7.0 14.0 0.0347149384023 Constraint L94.CB I143.CB -10. 7.0 14.0 0.0305747811298 Constraint Y125.CB I143.CB -10. 7.0 14.0 0.0305159003606 #added in try3 to accomodate for burial and rr Constraint H65.CB Y139.CB -10. 7.0 14.0 0.06