CreatePredAlphaCost pred_alpha2k alpha11 T0267.t2k.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha04 alpha11 T0267.t04.alpha.rdb 2 alpha alpha_prev sum SetCost wet6.5 15 near_backbone 3 way_back 3 dry5 15 dry6.5 25 dry8 10 dry12 5 \ phobic_fit 2 \ sidechain 3 \ bystroff 5 \ soft_clashes 30 backbone_clashes 2 \ break 60 \ pred_alpha2k 3 \ pred_alpha04 6 \ constraints 10 \ hbond_geom 1 \ hbond_geom_backbone 1 \ hbond_geom_beta 5 \ hbond_geom_beta_pair 15 // 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 T0267.t04.dssp-ehl2.constraints HelixConstraint L9 T26 0.6703 HelixConstraint E33 E37 0.6096 HelixConstraint Q44 L52 0.6953 HelixConstraint P99 W101 0.6254 HelixConstraint L106 A120 0.8429 HelixConstraint P135 H143 0.6292 StrandConstraint R3 R5 0.722 StrandConstraint L61 E65 0.8445 StrandConstraint V71 G78 0.6115 StrandConstraint A90 V97 0.7423 StrandConstraint R125 V130 0.7254 StrandConstraint V147 L149 0.6793 StrandConstraint E151 E155 0.6336 StrandConstraint W162 G167 0.6106 # from decoys/try1-opt2.sheets SheetConstraint M1 A7 S68 F62 hbond R3 SheetConstraint L61 S66 F77 V72 hbond L61 SheetConstraint E65 E67 V72 E70 hbond E67 SheetConstraint V72 A75 L98 I95 hbond F74 SheetConstraint T89 L92 R125 V128 hbond A90 SheetConstraint G124 K132 L170 W162 hbond M126 SheetConstraint G146 L149 F168 A165 hbond V147 SheetConstraint G150 L156 A165 A159 hbond G150