CreatePredAlphaCost pred_alpha2k alpha11 T0355.t2k.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha04 alpha11 T0355.t04.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha06 alpha11 T0355.t06.alpha.rdb 2 alpha alpha_prev sum SetCost wet6.5 15 near_backbone 5 way_back 5 dry5 15 dry6.5 30 dry8 25 dry12 5 \ phobic_fit 2 \ sidechain 5 \ n_ca_c 5 bad_peptide 10 \ bystroff 5 \ soft_clashes 40 backbone_clashes 2 \ break 100 \ pred_alpha2k 4 \ pred_alpha04 2 \ pred_alpha06 2 \ constraints 10 \ 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 // remove maybe_ssbond weight if protein known to be in reducing environment. // remove maybe_metal weight if protein known to have disulfides or // known not to bind metal ions. // Add the following for extra-cellular proteins: # known_ssbond 0.5 # and put ssbond command in constraints file // For comparative modeling, increase weight of break and hbond_geom... // put any constraints here, such as helix constraints, strand constraints, // sheet constraints, ssbonds, hbonds, or just arbitrary pairs of atoms. //include T0355.dssp-ehl2.constraints //include T0355.undertaker-align.sheets //include rr.constraints SheetConstraint (T0355)P32 (T0355)R36 (T0355)G245 (T0355)A249 hbond (T0355)A34 10 SheetConstraint (T0355)D71 (T0355)V72 (T0355)V66 (T0355)E67 hbond (T0355)D71 10 SheetConstraint (T0355)F116 (T0355)K120 (T0355)M143 (T0355)A147 hbond (T0355)I118 10 SheetConstraint (T0355)E144 (T0355)R146 (T0355)K163 (T0355)F165 hbond (T0355)G145 10 SheetConstraint (T0355)L190 (T0355)F192 (T0355)P224 (T0355)L226 hbond (T0355)A191 10 SheetConstraint (T0355)L226 (T0355)G228 (T0355)G245 (T0355)I247 hbond (T0355)V227 10 SheetConstraint (T0355)F192 (T0355)L190 (T0355)A166 (T0355)V164 hbond (T0355)F192 50 SheetConstraint (T0355)G63 (T0355)I65 (T0355)P35 (T0355)Y37 hbond (T0355)G63 50 SheetConstraint (T0355)A117 (T0355)A119 (T0355)L64 (T0355)V66 hbond (T0355)A117 50 HelixConstraint (T0355)M1 (T0355)N7 1 HelixConstraint (T0355)N10 (T0355)I15 1 HelixConstraint (T0355)F16 (T0355)C28 1 HelixConstraint (T0355)D47 (T0355)G60 1 HelixConstraint (T0355)G81 (T0355)R94 1 HelixConstraint (T0355)A99 (T0355)A111 1 HelixConstraint (T0355)R128 (T0355)A135 1 HelixConstraint (T0355)I214 (T0355)A220 1 HelixConstraint (T0355)N232 (T0355)T243 1 HelixConstraint (T0355)A249 (T0355)E254 1 HelixConstraint (T0355)L252 (T0355)W259 1 HelixConstraint (T0355)L264 (T0355)R275 1 HelixConstraint (T0355)A273 (T0355)L278 1 HelixConstraint (T0355)E279 (T0355)H285 1