CreatePredAlphaCost pred_alpha2k alpha11 T0329.t2k.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha04 alpha11 T0329.t04.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha06 alpha11 T0329.t06.alpha.rdb 2 alpha alpha_prev sum SetCost wet6.5 15 near_backbone 5 way_back 5 \ dry5 30 dry6.5 30 dry8 20 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 \ maybe_metal 0.5 \ maybe_ssbond 1 // from try4-opt2 SheetConstraint (T0329)A5 (T0329)D9 (T0329)C184 (T0329)G188 hbond (T0329)A5 1 SheetConstraint (T0329)K4 (T0329)F8 (T0329)V126 (T0329)V130 hbond (T0329)A6 1 SheetConstraint (T0329)I14 (T0329)L15 (T0329)M10 (T0329)D11 hbond (T0329)L15 1 SheetConstraint (T0329)A129 (T0329)S132 (T0329)F153 (T0329)G156 hbond (T0329)V130 1 SheetConstraint (T0329)V185 (T0329)D189 (T0329)D203 (T0329)V207 hbond (T0329)Y186 1 SheetConstraint (T0329)I205 (T0329)N208 (T0329)V224 (T0329)D227 hbond (T0329)A206 1 // from try4-opt2 HelixConstraint (T0329)T17 (T0329)Q31 HelixConstraint (T0329)D37 (T0329)D42 HelixConstraint (T0329)V51 (T0329)Y61 HelixConstraint (T0329)Y61 (T0329)A72 HelixConstraint (T0329)G74 (T0329)I80 HelixConstraint (T0329)T85 (T0329)K97 HelixConstraint (T0329)V95 (T0329)C104 HelixConstraint (T0329)I114 (T0329)K124 HelixConstraint (T0329)A138 (T0329)E145 HelixConstraint (T0329)P167 (T0329)G178 HelixConstraint (T0329)S190 (T0329)S200 HelixConstraint (T0329)S213 (T0329)G221 HelixConstraint (T0329)K231 (T0329)E239 // to try and keep the crevice open Constraint G48.CA S190.CA 7.0 8.0 30.0 1 Constraint G50.CA N133.CA 7.0 8.0 30.0 1