CreatePredAlphaCost pred_alpha2k alpha11 T0256.t2k.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha04 alpha11 T0256.t04.alpha.rdb 2 alpha alpha_prev sum SetCost wet6.5 10 near_backbone 3 way_back 3 dry5 15 dry6.5 20 dry8 15 dry12 2 \ phobic_fit 2 \ sidechain 6 \ bystroff 5 \ soft_clashes 20 backbone_clashes 2 \ break 50 \ pred_alpha2k 1 \ pred_alpha04 6 \ constraints 10 \ 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 T0256.t04.dssp-ehl2.constraints StrandConstraint H5 T9 0.6674 HelixConstraint V13 Y23 0.8403 StrandConstraint C28 S29 0.6017 StrandConstraint A35 R40 0.681 StrandConstraint F45 M50 0.652 StrandConstraint H62 F65 0.7524 HelixConstraint E70 E82 0.8853 StrandConstraint L86 V87 0.6394 StrandConstraint Y96 E101 0.8049 StrandConstraint T107 M111 0.73