CreatePredAlphaCost pred_alpha2k alpha11 T0296.t2k.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha04 alpha11 T0296.t04.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha06 alpha11 T0296.t06.alpha.rdb 2 alpha alpha_prev sum SetCost wet6.5 15 near_backbone 5 way_back 5 dry5 15 dry6.5 20 dry8 15 dry12 5 \ phobic_fit 2 \ sidechain 5 \ n_ca_c 5 bad_peptide 10 \ bystroff 5 \ soft_clashes 20 backbone_clashes 2 \ break 50 \ pred_alpha2k 2 \ pred_alpha04 2 \ pred_alpha06 2 \ constraints 20 \ hbond_geom 5 \ hbond_geom_backbone 10 \ hbond_geom_beta 50 \ hbond_geom_beta_pair 100 \ missing_atoms 1 \ maybe_metal 0.5 \ maybe_ssbond 1 // remove maybe_ssbond weight if protein known to be in reducing environment. // remove maybe_metal weight if protein known to have disulfides or // known not to bind metal ions. // Add the following for extra-cellular proteins: # known_ssbond 0.5 # and put ssbond command in constraints file // 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. include T0296.dssp-ehl2.constraints include rr.0.1.constraints # include rr.t2k.constraints Constraint R396.CB M419.CB -10. 7.0 14.0 0.474162456359 Constraint V395.CB A416.CB -10. 7.0 14.0 0.462246034514 Constraint I397.CB I407.CB -10. 7.0 14.0 0.454054240861 Constraint I266.CB A326.CB -10. 7.0 14.0 0.439780149972 Constraint R396.CB V418.CB -10. 7.0 14.0 0.396891914063 Constraint I23.CB A383.CB -10. 7.0 14.0 0.382244694704 Constraint I397.CB A416.CB -10. 7.0 14.0 0.378933467153 Constraint A326.CB A384.CB -10. 7.0 14.0 0.378749985401 Constraint I379.CB V395.CB -10. 7.0 14.0 0.372940221429 bonus Constraint I397.CB M419.CB -10. 7.0 14.0 0.370291752622 bonus Constraint V395.CB M419.CB -10. 7.0 14.0 0.370264946678 bonus Constraint I398.CB A416.CB -10. 7.0 14.0 0.352364803867 bonus Constraint I397.CB V418.CB -10. 7.0 14.0 0.347307401174 bonus Constraint I364.CB V395.CB -10. 7.0 14.0 0.338022309753 bonus Constraint I398.CB M419.CB -10. 7.0 14.0 0.336909932476 bonus Constraint I385.CB V395.CB -10. 7.0 14.0 0.331991217021 bonus Constraint I398.CB V418.CB -10. 7.0 14.0 0.322188403452 bonus Constraint V395.CB V418.CB -10. 7.0 14.0 0.320323318335 bonus Constraint V184.CB M195.CB -10. 7.0 14.0 0.306263552795 bonus Constraint V184.CB L269.CB -10. 7.0 14.0 0.305179080745 bonus Constraint I20.CB L29.CB -10. 7.0 14.0 0.303300434466 bonus Constraint L271.CB V281.CB -10. 7.0 14.0 0.298067879415 bonus Constraint C144.CB F185.CB -10. 7.0 14.0 0.287318610425 bonus Constraint V6.CB I20.CB -10. 7.0 14.0 0.285075671855 bonus Constraint T24.CB I33.CB -10. 7.0 14.0 0.275895475317 bonus Constraint T246.CB I266.CB -10. 7.0 14.0 0.272065476793 bonus Constraint L269.CB L302.CB -10. 7.0 14.0 0.269561594714 bonus Constraint I13.CB I23.CB -10. 7.0 14.0 0.268152581012 bonus Constraint N187.CB A198.CB -10. 7.0 14.0 0.267689904533 bonus Constraint F185.CB M195.CB -10. 7.0 14.0 0.267498586832 bonus Constraint N187.CB A196.CB -10. 7.0 14.0 0.267013785176 bonus Constraint L223.CB V238.CB -10. 7.0 14.0 0.266913245772 bonus Constraint A326.CB M336.CB -10. 7.0 14.0 0.266332459895 bonus Constraint D362.CB R396.CB -10. 7.0 14.0 0.26605264149 bonus Constraint K391.CB M419.CB -10. 7.0 14.0 0.265955681159 bonus Constraint I23.CB C32.CB -10. 7.0 14.0 0.265786163264 bonus Constraint V93.CB A102.CB -10. 7.0 14.0 0.265152992779 bonus Constraint G253.CA V267.CB -10. 7.0 14.0 0.264499974709 bonus Constraint V93.CB V108.CB -10. 7.0 14.0 0.264348026808 bonus Constraint A303.CB G312.CA -10. 7.0 14.0 0.26429759442 bonus Constraint V267.CB A384.CB -10. 7.0 14.0 0.264230242781 bonus Constraint C144.CB A180.CB -10. 7.0 14.0 0.263583732116 bonus Constraint I44.CB I62.CB -10. 7.0 14.0 0.262558490493 bonus Constraint R396.CB G414.CA -10. 7.0 14.0 0.262537016057 bonus Constraint L302.CB V314.CB -10. 7.0 14.0 0.262506431255 bonus Constraint C357.CB R396.CB -10. 7.0 14.0 0.262504804403 bonus Constraint L285.CB L302.CB -10. 7.0 14.0 0.262408169442 bonus Constraint A186.CB A198.CB -10. 7.0 14.0 0.262231168032 bonus Constraint M363.CB R396.CB -10. 7.0 14.0 0.262054491993 bonus Constraint I13.CB M25.CB -10. 7.0 14.0 0.261981283689 bonus Constraint K181.CB T393.CB -10. 7.0 14.0 0.261699187692 bonus Constraint F327.CB M336.CB -10. 7.0 14.0 0.261603528841 bonus Constraint L302.CB G313.CA -10. 7.0 14.0 0.261440518352 bonus Constraint R396.CB G411.CA -10. 7.0 14.0 0.261341605799 bonus Constraint I168.CB L182.CB -10. 7.0 14.0 0.261164279019 bonus Constraint V71.CB D109.CB -10. 7.0 14.0 0.261033480183 bonus Constraint T393.CB A416.CB -10. 7.0 14.0 0.261017537041 bonus Constraint A186.CB M195.CB -10. 7.0 14.0 0.260651820892 bonus Constraint F185.CB E204.CB -10. 7.0 14.0 0.260139362766 bonus Constraint V309.CB M336.CB -10. 7.0 14.0 0.260088605008 bonus Constraint F185.CB G197.CA -10. 7.0 14.0 0.260074288718 bonus Constraint L350.CB M378.CB -10. 7.0 14.0 0.259819849191 bonus Constraint K391.CB D405.CB -10. 7.0 14.0 0.25955922763 bonus Constraint L223.CB V234.CB -10. 7.0 14.0 0.259454783783 bonus Constraint L305.CB M336.CB -10. 7.0 14.0 0.259383853071 bonus Constraint M378.CB V395.CB -10. 7.0 14.0 0.259364330856 bonus Constraint I168.CB A186.CB -10. 7.0 14.0 0.259265092933 bonus Constraint V284.CB L302.CB -10. 7.0 14.0 0.259224421654 bonus Constraint V183.CB A394.CB -10. 7.0 14.0 0.259212708325 bonus Constraint V6.CB I23.CB -10. 7.0 14.0 0.258896123082 bonus Constraint M25.CB V77.CB -10. 7.0 14.0 0.258887338086 bonus Constraint I328.CB V395.CB -10. 7.0 14.0 0.258831049035 bonus Constraint L285.CB L305.CB -10. 7.0 14.0 0.258612400234 bonus Constraint G321.CA S331.CB -10. 7.0 14.0 0.258563594698 bonus Constraint I10.CB I20.CB -10. 7.0 14.0 0.258526502491 bonus Constraint F185.CB A198.CB -10. 7.0 14.0 0.258217075394 bonus Constraint V77.CB G112.CA -10. 7.0 14.0 0.258180959297 bonus Constraint V267.CB L302.CB -10. 7.0 14.0 0.258167293747 bonus Constraint R396.CB I436.CB -10. 7.0 14.0 0.258124670246 bonus Constraint I149.CB M158.CB -10. 7.0 14.0 0.257862421833 bonus Constraint V71.CB A180.CB -10. 7.0 14.0 0.257838344435 bonus Constraint A186.CB H200.CB -10. 7.0 14.0 0.257779452422 bonus Constraint V6.CB F18.CB -10. 7.0 14.0 0.257521759193 bonus Constraint V267.CB V284.CB -10. 7.0 14.0 0.257318402793 bonus Constraint L361.CB V395.CB -10. 7.0 14.0 0.257263089853 bonus Constraint L285.CB V309.CB -10. 7.0 14.0 0.257220466351 bonus Constraint A198.CB I266.CB -10. 7.0 14.0 0.257216236538 bonus Constraint M25.CB I44.CB -10. 7.0 14.0 0.257214284317 bonus Constraint L305.CB V314.CB -10. 7.0 14.0 0.256849218909 bonus Constraint T393.CB F409.CB -10. 7.0 14.0 0.256829371324 bonus Constraint I328.CB I379.CB -10. 7.0 14.0 0.256747052654 bonus Constraint V267.CB V281.CB -10. 7.0 14.0 0.256718745443 bonus Constraint R21.CB I33.CB -10. 7.0 14.0 0.256561591617 bonus Constraint I130.CB V147.CB -10. 7.0 14.0 0.256269409143 bonus Constraint I398.CB V421.CB -10. 7.0 14.0 0.256199779912 bonus Constraint G360.CA R396.CB -10. 7.0 14.0 0.256005208509 bonus Constraint K391.CB V418.CB -10. 7.0 14.0 0.25592516743 bonus Constraint I364.CB M378.CB -10. 7.0 14.0 0.255713026034 bonus Constraint A256.CB V267.CB -10. 7.0 14.0 0.255702288816 bonus Constraint I23.CB I70.CB -10. 7.0 14.0 0.255633635696 bonus Constraint T24.CB R74.CB -10. 7.0 14.0 0.255440365774 bonus Constraint N187.CB N210.CB -10. 7.0 14.0 0.255422795781 bonus Constraint G265.CA T393.CB -10. 7.0 14.0 0.255109789611 bonus Constraint N187.CB H200.CB -10. 7.0 14.0 0.25506781685 bonus Constraint V395.CB V421.CB -10. 7.0 14.0 0.254329226407 bonus Constraint V281.CB L302.CB -10. 7.0 14.0 0.254314259376 bonus Constraint I209.CB V219.CB -10. 7.0 14.0 0.25425081218 bonus Constraint F185.CB N210.CB -10. 7.0 14.0 0.253989865248 bonus Constraint T24.CB R396.CB -10. 7.0 14.0 0.253899086951 bonus Constraint A180.CB V189.CB -10. 7.0 14.0 0.253694754441 bonus Constraint I356.CB V395.CB -10. 7.0 14.0 0.253547687093 bonus Constraint A272.CB T298.CB -10. 7.0 14.0 0.253190755941 bonus Constraint L55.CB I70.CB -10. 7.0 14.0 0.252614525248 bonus Constraint I397.CB L413.CB -10. 7.0 14.0 0.252485353263 bonus Constraint I397.CB V421.CB -10. 7.0 14.0 0.252107598415 bonus Constraint N306.CB V340.CB -10. 7.0 14.0 0.252082870277 bonus Constraint V267.CB L285.CB -10. 7.0 14.0 0.252076037502 bonus Constraint F185.CB V207.CB -10. 7.0 14.0 0.251861618515 bonus Constraint V309.CB I328.CB -10. 7.0 14.0 0.25167843507 bonus Constraint K391.CB G434.CA -10. 7.0 14.0 0.251067064391 bonus Constraint M158.CB I167.CB -10. 7.0 14.0 0.250811323383 bonus Constraint I356.CB A365.CB -10. 7.0 14.0 0.250800586165 bonus Constraint F409.CB M419.CB -10. 7.0 14.0 0.250633345862 bonus Constraint I328.CB V340.CB -10. 7.0 14.0 0.250517188687 bonus Constraint P399.CB G411.CA -10. 7.0 14.0 0.250497341102 bonus Constraint L302.CB M336.CB -10. 7.0 14.0 0.250352225976 bonus Constraint I27.CB L55.CB -10. 7.0 14.0 0.25029040563 bonus