CreatePredAlphaCost pred_alpha2k alpha11 T0226.t2k.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha04 alpha11 T0226.t04.alpha.rdb 2 alpha alpha_prev sum SetCost wet6.5 3 near_backbone 3 way_back 3 dry5 5 dry6.5 6 dry8 5 dry12 2 \ phobic_fit 2 \ sidechain 6 \ bystroff 5 \ soft_clashes 10 backbone_clashes 2 \ break 20 \ pred_alpha2k 3 \ pred_alpha04 3 \ constraints 10 \ 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 // 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. StrandConstraint Y10 V12 6 StrandConstraint L17 E20 4 StrandConstraint H39 G43 6 HelixConstraint A50 S54 4 StrandConstraint L65 E69 6 HelixConstraint D73 A77 6 HelixConstraint A81 A84 3 StrandConstraint A89 P98 1 StrandConstraint R90 V94 1 StrandConstraint V102 I104 5 HelixConstraint P111 L119 6 HelixConstraint E125 R141 6 HelixConstraint P152 L161 6 StrandConstraint L166 Y168 6 HelixConstraint R173 V186 6 StrandConstraint A217 G222 6 HelixConstraint A228 E235 6 StrandConstraint A242 V244 4 HelixConstraint R251 Y273 6 HelixConstraint H280 E288 6 # from try1-opt2 SheetConstraint A40 L42 F66 L68 hbond A41 # from align1 SheetConstraint A34 G37 A81 A84 hbond Y35 SheetConstraint A41 G43 A84 T86 hbond A41 SheetConstraint L83 T86 E101 I104 hbond A84 SheetConstraint L164 F167 P215 A218 hbond L166 SheetConstraint P165 F167 L190 L192 hbond F167