CreatePredAlphaCost pred_alpha2k alpha11 T0269.t2k.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha04 alpha11 T0269.t04.alpha.rdb 2 alpha alpha_prev sum SetCost wet6.5 15 near_backbone 3 way_back 3 dry5 15 dry6.5 25 dry8 15 dry12 5 \ phobic_fit 2 \ sidechain 2 \ bystroff 5 \ soft_clashes 20 backbone_clashes 2 \ break 40 \ 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 T0269.t04.dssp-ehl2.constraints HelixConstraint T51 R66 0.6317 HelixConstraint H82 H92 0.6485 HelixConstraint T108 R112 0.6328 HelixConstraint V151 K162 0.7061 StrandConstraint M15 T18 0.7377 StrandConstraint I24 K25 0.6237 StrandConstraint W36 S41 0.6079 StrandConstraint D70 S75 0.7254 StrandConstraint I101 A103 0.694 StrandConstraint G127 V131 0.7914 StrandConstraint I137 Y142 0.7209 # from decoys/try2-opt2.sheets SheetConstraint E14 T19 P27 G22 hbond V17 5.0 SheetConstraint K35 H42 G68 S75 hbond W36 5.0 SheetConstraint W36 S41 D132 G127 hbond F37 5.0 SheetConstraint G73 L74 I101 I102 hbond G73 5.0 SheetConstraint G127 I130 Y142 T139 hbond V128 5.0 # from 165-end/decoys/try3-opt2.helices HelixConstraint T192 Y205 2.0 HelixConstraint S219 A234 2.0 HelixConstraint P237 H250 2.0 SheetConstraint R138 L141 C213 W210 Hbond M140 3.0