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 10 near_backbone 5 way_back 5 dry5 10 dry6.5 20 dry8 15 dry12 10 \ phobic_fit 2 \ sidechain 1 \ 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 try8-opt2.sheets -- long sheets need big weights SheetConstraint A2 F11 T57 H48 hbond T3 15 SheetConstraint T3 F9 N89 A83 hbond L4 15 SheetConstraint H8 N12 A83 E79 hbond A10 15 SheetConstraint G35 E43 T57 E49 hbond L37 15 Constraint E90.CA T3.CA 5.136 7.136 9.136 1.8 Constraint E90.CA F56.CA 8.819 10.819 12.819 1.8 Constraint E90.CA F36.CA 13.516 15.516 17.516 1.8 Constraint P91.CA T3.CA 8.379 10.379 12.379 1.8 Constraint P91.CA F56.CA 12.344 14.344 16.344 1.8 Constraint P91.CA F36.CA 17.045 19.045 21.045 1.8 Constraint L92.CA T3.CA 11.224 13.224 15.224 1.8 Constraint L92.CA F56.CA 14.403 16.403 18.403 1.8 Constraint L92.CA F36.CA 18.748 20.748 22.748 1.8 Constraint S93.CA T3.CA 12.596 14.596 16.596 1.8 Constraint S93.CA F56.CA 14.826 16.826 18.826 1.8 Constraint S93.CA F36.CA 18.668 20.668 22.668 1.8 Constraint Q94.CA T3.CA 16.116 18.116 20.116 1.8 Constraint Q94.CA F56.CA 17.903 19.903 21.903 1.8 Constraint Q94.CA F36.CA 21.363 23.363 25.363 1.8 Constraint I95.CA T3.CA 17.453 19.453 21.453 1.8 Constraint I95.CA F56.CA 18.276 20.276 22.276 1.8 Constraint I95.CA F36.CA 21.059 23.059 25.059 1.8 Constraint I95.CA H8.CA 23.320 25.320 27.320 1.8 Constraint I95.CA E67.CA 32.694 34.694 36.694 1.8 Constraint Q94.CA H8.CA 22.322 24.322 26.322 1.8 Constraint Q94.CA E67.CA 31.922 33.922 35.922 1.8 Constraint S93.CA H8.CA 20.407 22.407 24.407 1.8 Constraint S93.CA E67.CA 28.612 30.612 32.612 1.8 Constraint L92.CA H8.CA 20.770 22.770 24.770 1.8 Constraint L92.CA E67.CA 27.428 29.428 31.428 1.8 Constraint P91.CA H8.CA 19.362 21.362 23.362 1.8 Constraint P91.CA E67.CA 24.368 26.368 28.368 1.8