# CreatePredAlphaCost pred_alpha2k alpha11 T0210.t2k.alpha.rdb 2 alpha alpha_prev sum # CreatePredAlphaCost pred_alpha04 alpha11 T0210.t04.alpha.rdb 2 alpha alpha_prev sum SetCost wet6.5 5 near_backbone 3 way_back 3 dry5 7 dry6.5 9 dry8 9 dry12 2 \ phobic_fit 3 \ sidechain 6 \ bystroff 5 \ soft_clashes 20 backbone_clashes 2 \ break 50 \ constraints 4 \ hbond_geom 0.1 \ hbond_geom_backbone 0.1 \ hbond_geom_beta 0.4 \ hbond_geom_beta_pair 1.5 // Add the following for extra-cellular proteins: # known_ssbond 0.5 # and put ssbond command in constraints file # maybe_ssbond 0.5 # from t04-thin40.mi Constraint F54.CB V123.CB -10. 7.0 12.0 0.772157 # Constraint L71.CB G120.CA -10. 7.0 12.0 0.596468 # from t04-thin62.mi Constraint Y64.CB G120.CA -10. 5.0 12.0 0.555221 # from t2k-thin40.mi Constraint E12.CB E138.CB -10. 7.0 14.0 0.551905 # from t2k-thin62.mi # Constraint F54.CB S109.CB -10. 7.0 12.0 0.629911 Constraint I73.CB F107.CB -10. 7.0 12.0 0.580143 # Put the helix on the back face Constraint F7.CE2 V51.CB 1.0 5.0 8.0 1 #from try5-opt2.sheets # SheetConstraint Y22 S28 R47 S41 hbond S24 Sheetconstraint Y22 Y26 L45 S41 Hbond Y26 1.0 ## back up 2 SheetConstraint S28 T30 I42 S40 hbond E29 2.0 SheetConstraint L38 R47 G126 S117 hbond S40 2.0 SheetConstraint F54 R56 G108 I106 hbond H55 2.0 SheetConstraint F54 L57 L134 D131 hbond R56 2.0 SheetConstraint E61 H66 S124 V119 hbond M62 2.0 # SheetConstraint H66 G68 G120 L118 hbond A67 Sheetconstraint M62 H66 V101 P97 Hbond W63 1.0 #realign SheetConstraint Q69 M75 G88 L82 hbond S70 2.0 SheetConstraint S70 M75 M111 I106 hbond L71 2.0