CreatePredAlphaCost pred_alpha2k alpha11 T0237.t2k.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha04 alpha11 T0237.t04.alpha.rdb 2 alpha alpha_prev sum SetCost wet6.5 10 near_backbone 5 way_back 5 dry5 15 dry6.5 25 dry8 15 dry12 5 \ phobic_fit 2 \ sidechain 1 \ bystroff 5 \ soft_clashes 10 backbone_clashes 2 \ break 40 \ pred_alpha2k 2 \ pred_alpha04 6 \ constraints 10 \ hbond_geom 1 \ hbond_geom_backbone 1 \ hbond_geom_beta 6 \ hbond_geom_beta_pair 15 \ known_ssbond 1 // 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. # T0237.t04.dssp-ehl2.constraints StrandConstraint L217 V219 10 #6.044 HelixConstraint L237 C240 6.192 HelixConstraint E257 N273 6.13 HelixConstraint R275 A281 6.435 StrandConstraint C312 F315 10 #7.058 StrandConstraint I329 A330 10 #6.249 # try1-opt2.sheets SheetConstraint W218 V219 C223 N222 hbond V219 10 SheetConstraint W302 S307 F315 K310 hbond N304 10 SheetConstraint A287 N289 K295 N292 hbond N289 10 # previously determined disulfide pairings SSBond C312 C240 1.0 SSBond C321 C223 1.0