CreatePredAlphaCost pred_alpha2k alpha11 T0271.t2k.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha04 alpha11 T0271.t04.alpha.rdb 2 alpha alpha_prev sum SetCost wet6.5 15 near_backbone 3 way_back 3 dry5 10 dry6.5 25 dry8 10 dry12 5 \ phobic_fit 2 \ sidechain 3 \ bystroff 5 \ soft_clashes 30 backbone_clashes 2 \ break 70 \ pred_alpha2k 3 \ pred_alpha04 3 \ constraints 5 \ 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 T0271.t04.dssp-ehl2.constraints HelixConstraint V27 T36 0.7572 HelixConstraint E63 N75 0.7365 HelixConstraint N94 K100 0.6168 HelixConstraint E144 L157 0.6201 StrandConstraint L3 P7 0.7414 StrandConstraint V16 L18 0.8247 StrandConstraint F43 F47 0.6133 StrandConstraint V56 R57 0.6274 StrandConstraint V81 V85 0.7274 StrandConstraint R107 A110 0.6249 StrandConstraint K117 E122 0.6568 StrandConstraint A128 M133 0.6561 # from decoys/try1-opt2.sheets SheetConstraint K4 I8 V120 L116 hbond K4 SheetConstraint L14 A21 G87 H80 hbond N15 SheetConstraint N15 G19 A113 Y109 hbond V16 SheetConstraint I17 H22 A110 V105 hbond Q20 SheetConstraint R42 S48 G87 V81 hbond G44 SheetConstraint F43 E49 T61 L55 hbond L45 SheetConstraint P115 V119 G135 G131 hbond K117 SheetConstraint V119 E123 L130 Q126 hbond A121