CreatePredAlphaCost pred_alpha2k alpha11 T0286.t2k.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha04 alpha11 T0286.t04.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha06 alpha11 T0286.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 8 \ n_ca_c 5 bad_peptide 10 \ bystroff 5 \ soft_clashes 20 backbone_clashes 2 \ break 50 \ pred_alpha2k 4 \ pred_alpha04 5 \ pred_alpha06 6 \ constraints 10 \ hbond_geom 5 \ hbond_geom_backbone 10 \ hbond_geom_beta 50 \ hbond_geom_beta_pair 100 \ missing_atoms 1 HelixConstraint D13 G18 5. HelixConstraint S26 A38 5. HelixConstraint W66 T81 5. HelixConstraint N101 K118 5. HelixConstraint I135 N151 5. HelixConstraint G183 E205 5. # Following are sheet constraints from try9-opt2, the model that we began trying # to fix: # Original constraint, we want to extend it # SheetConstraint T5 K7 S41 D43 hbond I6 1 # The extended constraint SheetConstraint T5 G12 S41 Q48 hbond I6 15 # This is the offending constraint, removed. # SheetConstraint G12 D13 G62 H63 hbond G12 1 SheetConstraint K7 G12 D85 W90 hbond M9 5 SheetConstraint D85 L89 V121 V125 hbond V87 5 SheetConstraint F124 D127 V156 V159 hbond V125 5 # extra constraints to keep helix against sheet (taken from try15-opt2) Constraint I68.CG1 I91.CG1 2.5 3.9 5 1. Constraint I68.CG1 G92.CA 2.5 3.6 5 1. Constraint I71.CD1 V11.CG1 2.5 3.6 5 1. Constraint I71.CG2 I91.CD1 2.5 2.9 5 1. Constraint I75.CD1 V11.CG1 2.5 3.4 5 1. Constraint I75.CD1 V11.CG2 2.5 3.0 5 1. Constraint I75.CD1 M9.CE 2.5 3.5 5 1 Constraint L79.CD2 P84.CD 2.5 3.7 5 1. Constraint L79.CD2 M9.SD 2.5 3.9 5 1.