CreatePredAlphaCost pred_alpha2k alpha11 T0283.t2k.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha04 alpha11 T0283.t04.alpha.rdb 2 alpha alpha_prev sum SetCost wet6.5 15 near_backbone 5 way_back 5 dry5 15 dry6.5 20 dry8 10 dry12 10 \ phobic_fit 2 \ sidechain 5 \ n_ca_c 5 bad_peptide 10 \ bystroff 5 \ soft_clashes 20 backbone_clashes 2 \ break 50 \ pred_alpha2k 15 \ pred_alpha04 15 \ constraints 10 \ hbond_geom 5 \ hbond_geom_backbone 10 # No reward for beta sheets in THIS protein # hbond_geom_beta 50 \ # hbond_geom_beta_pair 100 # from T0283.dssp-ehl2.constraints # HelixConstraint F3 K25 0.682 # HelixConstraint K29 T44 0.7839 # HelixConstraint W51 A70 0.7193 # HelixConstraint T76 D77 0.6175 # HelixConstraint V83 D93 0.7024 # HelixConstraint M98 L105 0.6139 # split the first helix constraint HelixConstraint F3 L11 07.00 HelixConstraint K14 K25 08.17 # shrink the second helix to higher-confidence region HelixConstraint K29 W43 08.574 HelixConstraint W51 A70 07.193 # eliminate tiny 3-10 helix (V75-D77) # HelixConstraint T76 D77 06.175 # shrink next helix to high-confidence region HelixConstraint V83 K92 08.259 # shrink last helix to high-confidence region HelixConstraint K100 L105 07.202 # 3-10 predictions # from n_notor2 Hbond L27.N A24.O 0.54 Hbond G72.N A69.O 0.49 Hbond G72.N G68.O 0.31 # Hbond S10.N M7.O 0.32 alpha helix stronger # Hbond Y31.N P28.O 0.31 alpha helix stronger # from o_notor2 Hbond A24.O L27.N 0.52 Hbond A69.O G72.N 0.75 Hbond A70.O K73.N 0.34 Hbond M91.O T94.N 0.30 # Constraints from rr.constraints, selected for conserved residues # that look like they ought to pair Constraint F65.CB F86.CB -10. 7.0 14.0 1 Constraint L62.CB L90.CB -10. 7.0 14.0 1 #from rr.constraints (scaled down by 10) Constraint L27.CB I38.CB -10. 7.0 14.0 0.0891394 Constraint A24.CB I38.CB -10. 7.0 14.0 0.0890471 Constraint M42.CB I57.CB -10. 7.0 14.0 0.0888313 Constraint L90.CB L105.CB -10. 7.0 14.0 0.0887868 Constraint I38.CB I57.CB -10. 7.0 14.0 0.088592 Constraint M42.CB L64.CB -10. 7.0 14.0 0.0885645 Constraint A24.CB A34.CB -10. 7.0 14.0 0.0885619 Constraint I38.CB L64.CB -10. 7.0 14.0 0.0883845 Constraint I38.CB I61.CB -10. 7.0 14.0 0.088353 Constraint I61.CB V83.CB -10. 7.0 14.0 0.0883291 Constraint M42.CB I61.CB -10. 7.0 14.0 0.0883266 Constraint L78.CB L90.CB -10. 7.0 14.0 0.088234 Constraint F65.CB L90.CB -10. 7.0 14.0 0.0881606 Constraint A24.CB M42.CB -10. 7.0 14.0 0.0881384 Constraint I38.CB L62.CB -10. 7.0 14.0 0.0881242 Constraint L27.CB M42.CB -10. 7.0 14.0 0.0881143 Constraint I61.CB L78.CB -10. 7.0 14.0 0.0879994 Constraint M42.CB F65.CB -10. 7.0 14.0 0.0879728 Constraint F65.CB V83.CB -10. 7.0 14.0 0.0879575 Constraint I61.CB L90.CB -10. 7.0 14.0 0.0879425 Constraint M42.CB L62.CB -10. 7.0 14.0 0.0878712 Constraint V83.CB L105.CB -10. 7.0 14.0 0.0878145 Constraint C87.CB L105.CB -10. 7.0 14.0 0.0878093 Constraint M91.CB L105.CB -10. 7.0 14.0 0.0877483 Constraint A24.CB Y35.CB -10. 7.0 14.0 0.087738 Constraint L90.CB Y101.CB -10. 7.0 14.0 0.0877338 Constraint M42.CB T54.CB -10. 7.0 14.0 0.0877242 Constraint A24.CB L64.CB -10. 7.0 14.0 0.0877189 Constraint L62.CB L90.CB -10. 7.0 14.0 0.0876761 Constraint I61.CB A70.CB -10. 7.0 14.0 0.0876512 Constraint T54.CB L64.CB -10. 7.0 14.0 0.0876474 Constraint M7.CB I38.CB -10. 7.0 14.0 0.0876457 Constraint K55.CB L64.CB -10. 7.0 14.0 0.0876345 Constraint L62.CB V83.CB -10. 7.0 14.0 0.0875805 Constraint F65.CB F86.CB -10. 7.0 14.0 0.0875476 Constraint M42.CB F58.CB -10. 7.0 14.0 0.0875369 Constraint F65.CB L78.CB -10. 7.0 14.0 0.0875098 Constraint F65.CB V75.CB -10. 7.0 14.0 0.0875068 Constraint F65.CB C87.CB -10. 7.0 14.0 0.0874337 Constraint L62.CB L78.CB -10. 7.0 14.0 0.0874056 Constraint F65.CB L105.CB -10. 7.0 14.0 0.0873885 Constraint I61.CB L105.CB -10. 7.0 14.0 0.0873628 Constraint F65.CB M91.CB -10. 7.0 14.0 0.0873581 Constraint I61.CB M91.CB -10. 7.0 14.0 0.0873543 Constraint L64.CB L90.CB -10. 7.0 14.0 0.0873471 Constraint M7.CB M20.CB -10. 7.0 14.0 0.0873003 Constraint L62.CB M91.CB -10. 7.0 14.0 0.0872979 Constraint L62.CB L105.CB -10. 7.0 14.0 0.0872455 Constraint T79.CB L90.CB -10. 7.0 14.0 0.087235 Constraint A24.CB I57.CB -10. 7.0 14.0 0.0872193 Constraint F58.CB L90.CB -10. 7.0 14.0 0.08719 Constraint Q52.CB L64.CB -10. 7.0 14.0 0.0871773 Constraint L64.CB L78.CB -10. 7.0 14.0 0.0871767 Constraint M7.CB W17.CB -10. 7.0 14.0 0.087166 Constraint A24.CB Y41.CB -10. 7.0 14.0 0.0871589 Constraint L90.CB I109.CB -10. 7.0 14.0 0.0871467 Constraint I57.CB L78.CB -10. 7.0 14.0 0.0871286 Constraint I61.CB V75.CB -10. 7.0 14.0 0.0871161 Constraint L64.CB V83.CB -10. 7.0 14.0 0.0870916 Constraint C87.CB Y101.CB -10. 7.0 14.0 0.0870639 Constraint I57.CB L90.CB -10. 7.0 14.0 0.0870447 Constraint I61.CB F86.CB -10. 7.0 14.0 0.0870299 Constraint I57.CB V83.CB -10. 7.0 14.0 0.0870289 Constraint Y35.CB L64.CB -10. 7.0 14.0 0.0870157 Constraint L64.CB V75.CB -10. 7.0 14.0 0.0869918 Constraint F58.CB L78.CB -10. 7.0 14.0 0.0869891 Constraint F86.CB L105.CB -10. 7.0 14.0 0.0869701 Constraint V75.CB L90.CB -10. 7.0 14.0 0.0869559 Constraint L62.CB F86.CB -10. 7.0 14.0 0.0869408 Constraint Y35.CB I57.CB -10. 7.0 14.0 0.0869381 Constraint L62.CB V75.CB -10. 7.0 14.0 0.0869272 Constraint M91.CB I109.CB -10. 7.0 14.0 0.0869009 Constraint M20.CB Y31.CB -10. 7.0 14.0 0.0868958 Constraint L62.CB C87.CB -10. 7.0 14.0 0.0868813 Constraint V83.CB I109.CB -10. 7.0 14.0 0.0868756 Constraint I38.CB L90.CB -10. 7.0 14.0 0.0868602 Constraint C87.CB W97.CB -10. 7.0 14.0 0.0868239 Constraint I61.CB C87.CB -10. 7.0 14.0 0.0868223 Constraint A24.CB I61.CB -10. 7.0 14.0 0.0868161 Constraint F86.CB W97.CB -10. 7.0 14.0 0.0868056 Constraint V83.CB W97.CB -10. 7.0 14.0 0.0867983 Constraint M42.CB W51.CB -10. 7.0 14.0 0.0867925 Constraint L64.CB F86.CB -10. 7.0 14.0 0.0867835 Constraint L90.CB R102.CB -10. 7.0 14.0 0.0867642 Constraint L27.CB L64.CB -10. 7.0 14.0 0.0867578 Constraint F58.CB V83.CB -10. 7.0 14.0 0.0867408 Constraint M20.CB I38.CB -10. 7.0 14.0 0.086702 Constraint F58.CB F86.CB -10. 7.0 14.0 0.0866888 Constraint I38.CB V83.CB -10. 7.0 14.0 0.0866698 Constraint I61.CB T79.CB -10. 7.0 14.0 0.0866657 Constraint L27.CB I57.CB -10. 7.0 14.0 0.0866625 Constraint L64.CB L105.CB -10. 7.0 14.0 0.0866577 Constraint M42.CB L78.CB -10. 7.0 14.0 0.0866552 Constraint W43.CB L64.CB -10. 7.0 14.0 0.0866527 Constraint G68.CA L78.CB -10. 7.0 14.0 0.0866245 Constraint L64.CB M91.CB -10. 7.0 14.0 0.0866144 Constraint Y31.CB M42.CB -10. 7.0 14.0 0.0866125 Constraint M7.CB L27.CB -10. 7.0 14.0 0.0865972 Constraint M42.CB V83.CB -10. 7.0 14.0 0.0865933 Constraint F58.CB V75.CB -10. 7.0 14.0 0.086578 Constraint M42.CB F86.CB -10. 7.0 14.0 0.0865618 Constraint F58.CB G68.CA -10. 7.0 14.0 0.0865601 Constraint F58.CB A70.CB -10. 7.0 14.0 0.0865536 Constraint I4.CB I38.CB -10. 7.0 14.0 0.0865528 Constraint T76.CB L90.CB -10. 7.0 14.0 0.0865465 Constraint I61.CB I109.CB -10. 7.0 14.0 0.0865447 Constraint F86.CB Y101.CB -10. 7.0 14.0 0.0865348 Constraint I4.CB L27.CB -10. 7.0 14.0 0.0865292 Constraint A24.CB Q39.CB -10. 7.0 14.0 0.086517 Constraint F86.CB I109.CB -10. 7.0 14.0 0.0865078 Constraint I38.CB F65.CB -10. 7.0 14.0 0.0865071 Constraint A69.CB L78.CB -10. 7.0 14.0 0.0865021