CreatePredAlphaCost pred_alpha2k alpha11 T0263.t2k.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha04 alpha11 T0263.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 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 T0263.t04.dssp-ehl2.constraints HelixConstraint G16 N31 0.6339 HelixConstraint E59 N75 0.8062 StrandConstraint L4 F9 0.6147 StrandConstraint L37 E43 0.6113 StrandConstraint A50 F56 0.6195 StrandConstraint V81 D87 0.7319 # from try1-opt2.sheets SheetConstraint T3 F11 F56 H48 5.0 # hbond T3 SheetConstraint F36 E43 F56 E49 5.0 # hbond L37 # added by hand SheetConstraint T3 A10 D87 E80 5.0 # file generated by validate2rr # based on 280 inputs # using the /projects/compbio/experiments/protein-predict/casp6/networks/NN280-240n300.net.28 network # limited to score of .30 or greater. # The score is an approximation of the probability Constraint M1.CB L76.CB -10. 7.0 14.0 0.596 bonus Constraint A2.CB L76.CB -10. 7.0 14.0 0.531 bonus Constraint M1.CB S93.CB -10. 7.0 14.0 0.454 bonus Constraint I30.CB L73.CB -10. 7.0 14.0 0.424 bonus Constraint Q6.CB A50.CB -10. 7.0 14.0 0.347 bonus Constraint T42.CB H69.CB -10. 7.0 14.0 0.329 bonus