CreatePredAlphaCost pred_alpha2k alpha11 T0283.t2k.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha04 alpha11 T0283.t04.alpha.rdb 2 alpha alpha_prev sum SetCost wet6.5 15 near_backbone 5 way_back 5 dry5 15 dry6.5 25 dry8 20 dry12 10 \ phobic_fit 2 \ sidechain 5 \ n_ca_c 5 bad_peptide 10 \ bystroff 5 \ soft_clashes 20 backbone_clashes 2 \ break 50 \ pred_alpha2k 5 \ pred_alpha04 5 \ constraints 10 \ hbond_geom 5 \ hbond_geom_backbone 10 \ hbond_geom_beta 50 \ hbond_geom_beta_pair 100 # from T0283.dssp-ehl2.constraints # HelixConstraint F3 K25 0.682 # HelixConstraint K29 T44 0.7839 # HelixConstraint W51 A70 0.7193 # HelixConstraint T76 D77 0.6175 # HelixConstraint V83 D93 0.7024 # HelixConstraint M98 L105 0.6139 # split the first helix constraint HelixConstraint F3 L11 07.00 HelixConstraint K14 K25 08.17 # shrink the second helix to higher-confidence region HelixConstraint K29 W43 08.574 HelixConstraint W51 A70 07.193 # eliminate tiny 3-10 helix (V75-D77) # HelixConstraint T76 D77 06.175 # shrink next helix to high-confidence region HelixConstraint V83 K92 08.259 # shrink last helix to high-confidence region HelixConstraint K100 L105 07.202 # Constraints from rr.constraints, selected by hand Constraint F65.CB F86.CB -10. 7.0 14.0 0.875476 Constraint L62.CB L90.CB -10. 7.0 14.0 0.876761 Constraint L27.CB I38.CB -10. 7.0 14.0 0.891394 Constraint A24.CB I38.CB -10. 7.0 14.0 0.890471 Constraint M42.CB I57.CB -10. 7.0 14.0 0.888313