CreatePredAlphaCost pred_alpha2k alpha11 T0300.t2k.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha04 alpha11 T0300.t04.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha06 alpha11 T0300.t06.alpha.rdb 2 alpha alpha_prev sum SetCost wet6.5 15 near_backbone 5 way_back 5 dry5 15 dry6.5 25 dry8 15 dry12 5 \ phobic_fit 1 \ sidechain 3 \ n_ca_c 5 bad_peptide 10 \ bystroff 5 \ soft_clashes 20 backbone_clashes 2 \ break 50 \ pred_alpha2k 2 \ pred_alpha04 2 \ pred_alpha06 2 \ constraints 20 \ hbond_geom 5 \ hbond_geom_backbone 10 \ hbond_geom_beta 50 \ hbond_geom_beta_pair 100 \ missing_atoms 1 # from T0300.dssp-ehl2.constraints HelixConstraint Y10 K32 0.863 HelixConstraint A46 A76 0.6595 HelixConstraint E82 Q90 0.7193 StrandConstraint L94 D97 0.7883 #I added constraints from rr.constraints #that seem like they will keep the 3-helix bundle shape that we want Constraint I68.CB L92.CB -10. 5.0 9.0 0.8 Constraint V72.CB L92.CB -10. 4.0 8.0 0.8 Constraint V31.CB I53.CB -10. 5.0 9.0 0.9 Constraint V72.CB L88.CB -10. 4.0 8.0 0.9 Constraint M13.CB L88.CB -10. 7.0 13.0 0.5 Constraint A64.CB L92.CB -10. 7.0 14.0 0.7 Constraint I68.CB L89.CB -10. 7.0 14.0 0.7 Constraint I68.CB L88.CB -10. 7.0 12.0 0.7 Constraint V72.CB L85.CB -10. 7.0 12.0 0.7 Constraint V31.CB S51.CB -10. 7.0 14.0 0.8 Constraint R75.CB L85.CB -10. 7.0 14.0 0.7 #if we don't want the end of the helix extended #then these might be good #Constraint I68.CB V96.CB -10. 7.0 14.0 0.318536397971 #Constraint V72.CB V96.CB -10. 7.0 14.0 0.308804336134