CreatePredAlphaCost pred_alpha2k alpha11 T0273.t2k.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha04 alpha11 T0273.t04.alpha.rdb 2 alpha alpha_prev sum SetCost wet6.5 5 near_backbone 5 way_back 5 dry5 15 dry6.5 20 dry8 15 dry12 5 \ phobic_fit 2 \ sidechain 1 \ bystroff 5 \ soft_clashes 10 backbone_clashes 2 \ break 20 \ pred_alpha2k 1 \ pred_alpha04 5 \ 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. # again these don't seem quite as strong as the t04 # include T0273.t2k.dssp-ehl2.constraints # include T0273.t2k.dssp-ebghstl.constraints # include T0273.t2k.stride-ebghtl.constraints # include T0273.t2k.str2.constraints # include T0273.t2k.alpha.constraints # include T0273.t2k.bys.constraints include T0273.t04.dssp-ehl2.constraints include T0273.t04.dssp-ebghstl.constraints include T0273.t04.stride-ebghtl.constraints include T0273.t04.str2.constraints include T0273.t04.alpha.constraints include T0273.t04.bys.constraints # my designed sheets... SheetConstraint Q27 R30 V38 R35 hbond R30 10.0 # s1^vs2 SheetConstraint D86 V90 A113 V117 10.0 # s4||s5 SheetConstraint A113 V117 L141 V145 10.0 # s5||s6 SheetConstraint L141 V145 F155 A151 10.0 # s6^vs7 # SheetConstraint G66 F69 F75 ?? # 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 V143.CB V154.CB -10. 7.0 14.0 0.91 # Constraint L127.CB L144.CB -10. 7.0 14.0 0.78 # Constraint G42.CA R118.CB -10. 7.0 14.0 0.605 Constraint L16.CB L36.CB -10. 7.0 14.0 0.596 bonus Constraint R30.CB R92.CB -10. 7.0 14.0 0.585 bonus Constraint P40.CB S72.CB -10. 7.0 14.0 0.582 bonus Constraint L56.CB V90.CB -10. 7.0 14.0 0.579 bonus Constraint L135.CB P157.CB -10. 7.0 14.0 0.567 bonus