CreatePredAlphaCost pred_alpha2k alpha11 T0325.t2k.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha04 alpha11 T0325.t04.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha06 alpha11 T0325.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 30 \ hbond_geom 5 \ hbond_geom_backbone 10 \ hbond_geom_beta 50 \ hbond_geom_beta_pair 100 \ missing_atoms 1 \ maybe_metal 0.5 #from try9.helices and visual inspection HelixConstraint (T0325)V19 (T0325)V31 1 HelixConstraint (T0325)F44 (T0325)S54 1 #HelixConstraint (T0325)M79 (T0325)G88 1 HelixConstraint (T0325)F90 (T0325)E97 1 #merge two helices into 1 HelixConstraint (T0325)N101 (T0325)K118 10 #merge two helices into 1 HelixConstraint (T0325)L140 (T0325)Y150 1 HelixConstraint (T0325)S189 (T0325)C202 5 HelixConstraint (T0325)M229 (T0325)L238 1 HelixConstraint (T0325)Q241 (T0325)R250 1 #from try9.sheets SheetConstraint (T0325)K4 (T0325)I7 (T0325)I252 (T0325)A255 hbond (T0325)L6 1 SheetConstraint (T0325)L6 (T0325)A10 (T0325)V207 (T0325)N211 hbond (T0325)I7 1 SheetConstraint (T0325)I8 (T0325)D11 (T0325)S34 (T0325)A37 hbond (T0325)A10 1 #try to slide I60-T65 sheet down SheetConstraint (T0325)S34 (T0325)P39 (T0325)I60 (T0325)T65 hbond (T0325)T36 10 SheetConstraint (T0325)H63 (T0325)T65 (T0325)H125 (T0325)D127 hbond (T0325)L64 10 SheetConstraint (T0325)D124 (T0325)D127 (T0325)L154 (T0325)A157 hbond (T0325)I126 1