CreatePredAlphaCost pred_alpha2k alpha11 T0356.t2k.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha04 alpha11 T0356.t04.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha06 alpha11 T0356.t06.alpha.rdb 2 alpha alpha_prev sum SetCost wet6.5 15 near_backbone 5 way_back 5 dry5 20 dry6.5 30 dry8 20 dry12 8.5 \ 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 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 T0356.dssp-ehl2.constraints //include T0356.undertaker-align.sheets include rr.constraints // T0356.dssp-ehl2.constraints HelixConstraint A330 L332 0.6013 HelixConstraint V334 K346 0.7181 StrandConstraint I351 Y355 0.6505 StrandConstraint L365 I370 0.7272 HelixConstraint G376 L389 0.6358 StrandConstraint F397 C401 0.8535 HelixConstraint W410 T419 0.7032 StrandConstraint T427 V430 0.6541 StrandConstraint M451 D454 0.7899 HelixConstraint P475 L488 0.626 //Sheet Constraints #sheet constraints from conformation 0 T0356-1wqaA-t06-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m:1wqaA SheetConstraint (T0356)T395 (T0356)V400 (T0356)R425 (T0356)V430 hbond (T0356)F397 0.512245 SheetConstraint (T0356)F397 (T0356)C401 (T0356)S449 (T0356)L453 hbond (T0356)V398 0.512245 SheetConstraint (T0356)V400 (T0356)C401 (T0356)E431 (T0356)N432 hbond (T0356)C401 0.512245