CreatePredAlphaCost pred_alpha2k alpha11 T0365.t2k.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha04 alpha11 T0365.t04.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha06 alpha11 T0365.t06.alpha.rdb 2 alpha alpha_prev sum SetCost wet6.5 15 near_backbone 5 way_back 5 dry5 30 dry6.5 40 dry8 30 dry12 15 \ phobic_fit 1 \ sidechain 5 \ n_ca_c 5 bad_peptide 10 \ bystroff 5 \ soft_clashes 20 backbone_clashes 2 \ break 150 \ pred_alpha2k 2 \ pred_alpha04 2 \ pred_alpha06 2 \ constraints 20 \ hbond_geom 5 \ hbond_geom_backbone 5 \ missing_atoms 1 # from decoys/try7-opt2.helices and decoys/try10-opt2.helices HelixConstraint P14 V33 1 HelixConstraint L31 I40 1 # shrunk from T41 HelixConstraint A47 E58 1 HelixConstraint A57 G75 2 HelixConstraint L86 I107 1 # shrunk from try7 HelixConstraint I122 E147 1 HelixConstraint R153 E187 2 HelixConstraint P192 V226 1 # hand constraints to fix kinks and breaks in helices HelixConstraint W44 R51 4 HelixConstraint S55 Q60 2 HelixConstraint R82 L89 2 HelixConstraint L117 I129 3 HelixConstraint Q115 E147 2 HelixConstraint A159 I167 3 StrandConstraint Q110 I113 1 Hbond V106.O L111.N 0.5 Hbond I107.O Q110.N 0.5 Hbond P114.O L117.N 0.5 # hand constraints from try7-opt2 Constraint L88.CB V215.CB -10 5.7 7.0 0.1 Constraint L88.CB R218.CB -10 5.2 7.0 0.1 Constraint L88.CB I139.CB -10 10.3 12 0.1 Constraint L88.CB V138.CB -10 8.9 11 0.1 Constraint L88.CB L142.CB -10 6.5 8.0 0.1 Constraint V138.CB L219.CB -10 6.4 8.0 0.1 Constraint V138.CB V215.CB -10 4.1 7.0 0.1 Constraint L142.CB V215.CB -10 6.6 8.0 0.1 Constraint L142.CB L219.CB -10 4.6 7.0 0.1 Constraint L145.CB L219.CB -10 5.5 7.0 0.1 Constraint E169.CB E213.CB -10 5.5 8.0 0.1 Constraint E169.CB A209.CB -10 5.9 7.0 0.1 Constraint T172.CB A209.CB -10 4.6 7.0 0.1 # first helix (as in try7) # Constraint M22.CB L146.CB -10 5.5 8.0 0.1 # Constraint V25.CB L89.CB -10 6.4 8.0 0.1 # Constraint A29.CB I139.CB -10 5.7 8.0 0.1 # Constraint L32.CB A99.CB -10 4.3 8.0 0.1 # Constraint V33.CB V132.CB -10 4.7 8.0 0.1 # Constraint F36.CB C128.CB -10 4.7 8.0 0.1 # Constraint I40.CB L125.CB -10 4.0 8.0 0.1 # first helix (as in try8) # Constraint M22.CB L146.CB -10 5.4 8.0 0.1 # Constraint V25.CB L89.CB -10 6.3 8.0 0.1 # Constraint A29.CB I139.CB -10 5.5 8.0 0.1 # Constraint L32.CB A99.CB -10 4.2 8.0 0.1 # Constraint V33.CB V132.CB -10 4.3 8.0 0.1 # Constraint F36.CB I102.CB -10 6.9 8.0 0.1 # first helix shifted by 4 Constraint I15.CB L146.CB -10 5.4 8.0 0.2 Constraint M22.CB L89.CB -10 6.3 8.0 0.2 Constraint M22.CB I139.CB -10 5.5 8.0 0.2 Constraint Y26.CB I139.CB -10 5.5 8.0 0.2 Constraint C28.CB A99.CB -10 4.2 8.0 0.2 Constraint L32.CB A99.CB -10 4.2 8.0 0.2 Constraint V33.CB V132.CB -10 4.3 8.0 0.2 Constraint L32.CB I102.CB -10 4.2 8.0 0.2 Constraint F36.CB I102.CB -10 6.9 8.0 0.2 # from try8-opt2 Constraint A131.CB L208.CB -10 5.7 7.0 0.1 Constraint A131.CB A209.CB -10 4.7 7.0 0.1 # try7 Constraint L134.CB I168.CB -10 5.5 7.0 0.1 Constraint L134.CB A209.CB -10 6.0 8.0 0.1 # try7 Constraint L134.CB A212.CB -10 4.4 7.0 0.1 # try7 Constraint L145.CB L219.CB -10 4.8 7.0 0.1 Constraint L145.CB L223.CB -10 4.5 7.0 0.1 # probably also need constraints on P114-P120, but don't have good # model to copy from # Constraint P114.CB D194.CB -10 3.8 7.0 0.05 # Constraint P114.CB V195.CB -10 6.4 9.0 0.05 # Constraint P120.CB L175.CB -10 4.9 8.0 0.05