CreatePredAlphaCost pred_alpha2k alpha11 T0214.t2k.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha04 alpha11 T0214.t04.alpha.rdb 2 alpha alpha_prev sum SetCost wet6.5 10 near_backbone 3 way_back 3 dry5 10 dry6.5 20 dry8 10 dry12 5 \ phobic_fit 2 \ sidechain 6 \ bystroff 5 \ soft_clashes 30 backbone_clashes 2 \ break 60 \ pred_alpha2k 1 \ pred_alpha04 4 \ 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, // ssbond, hbond, or just arbitrary pairs of atoms. # from T0214.t04.dssp-ehl2.constraints HelixConstraint E9 K16 0.7848 StrandConstraint K21 R25 0.7458 StrandConstraint V39 F42 0.8246 StrandConstraint K46 V56 0.7036 HelixConstraint F60 K66 0.8493 HelixConstraint I79 F89 0.6601 HelixConstraint E92 K96 0.6536 StrandConstraint V100 P107 0.677 # from 14+13+27/T0214.t04.dssp-ehl2.constraints HelixConstraint E9 K16 0.8105 StrandConstraint K20 L26 0.6026 StrandConstraint V39 F42 0.8379 StrandConstraint K46 V56 0.7084 HelixConstraint F60 N71 0.7093 HelixConstraint I79 F89 0.6834 StrandConstraint V100 P107 0.6986 # from 14+13+27/T0214.t2k.dssp-ehl2.constraints HelixConstraint F11 K16 0.7491 StrandConstraint K21 R25 0.6955 StrandConstraint V39 F42 0.7391 StrandConstraint K46 R55 0.6755 HelixConstraint F60 N71 0.6238 HelixConstraint I79 F89 0.734 StrandConstraint V100 L108 0.6534 # from decoys/try3-opt2.sheets SheetConstraint K21 G24 I105 A102 hbond E23 5.0 SheetConstraint K35 S41 I54 K48 hbond D38 5.0 SheetConstraint V49 I54 E109 E104 hbond K52 5.0 SheetConstraint R55 S59 E104 V100 hbond R55 5.0