CreatePredAlphaCost pred_alpha2k alpha11 T0307.t2k.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha04 alpha11 T0307.t04.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha06 alpha11 T0307.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 5 \ 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 \ # this is where the beta bridge should be SheetConstraint (T0307)K34 (T0307)K36 (T0307)D102 (T0307)D100 hbond (T0307)I35 3 # beta bridge distances, derived from 2aao (see the README) Constraint K34.CA D102.CA 4.74 4.84 4.94 1 Constraint K34.CA I101.CA 5.51 5.61 5.71 1 Constraint I35.CA I101.CA 4.82 4.92 5.02 1 Constraint I35.CA D100.CA 5.25 5.35 5.45 1 Constraint K36.CA D100.CA 4.80 4.90 5.00 1 # fix beta bridge ends Constraint K36.CA D102.CA 9.04 9.14 9.24 1 Constraint K34.CA D100.CA 5.66 5.76 5.86 1 # make sure the isoleucines in the beta bridge point in the same direction Constraint I35.CB I101.CB 3.5 4.06 5.0 1