CreatePredAlphaCost pred_alpha2k alpha11 T0249.t2k.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha04 alpha11 T0249.t04.alpha.rdb 2 alpha alpha_prev sum SetCost wet6.5 3 near_backbone 3 way_back 3 dry5 5 dry6.5 6 dry8 5 dry12 2 \ phobic_fit 2 \ sidechain 6 \ bystroff 5 \ soft_clashes 10 backbone_clashes 2 \ break 20 \ pred_alpha2k 3 \ pred_alpha04 3 \ constraints 10 \ hbond_geom 1 \ hbond_geom_backbone 1 \ hbond_geom_beta 5 \ hbond_geom_beta_pair 10 // Add the following for extra-cellular proteins: # known_ssbond 0.5 # and put ssbond command in constraints file # maybe_ssbond 0.5 // 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. #from T0249.t04.dssp-ehl2.constraints HelixConstraint R5 F17 6.743 HelixConstraint L25 I31 8.473 HelixConstraint P38 E53 6.526 HelixConstraint P74 L84 6.914 HelixConstraint R94 W105 7.871 HelixConstraint K111 I117 6.861 HelixConstraint D123 A131 7.734 HelixConstraint E154 L159 7.985 HelixConstraint L171 L187 6.978 StrandConstraint T58 I64 6.922 StrandConstraint Y68 L71 7.73 StrandConstraint I135 V137 6.648 # from align5.sheets SheetConstraint P22 N24 R69 G67 hbond V23 10 SheetConstraint I61 I64 F70 G67 hbond H62 10