Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MANEQTRSSRRQKQPTPKKSVKKNSGKGSGKSSGTHKKGLFIKILLGILSFFCILFLAGVGLFWYYAKDAPELTDKKLDATVSSKLYTQDGELFEDLGA-EKREKISANELPKTLEDAIVSVEDRRFYKHIGVDPIRIIGSALSNFTSG-GLQGGSTLTQQLIKLSFFSTSAEDQTLKRKAQEAWMAVRLEQKKSKQEILTYYVNKVYMSNGLYGMETASEMYFGKKLSELSLPQTALLAGMPQAPSAYDPYVYPDQAKKRRDTVLYTMLQNEKISQTEYDQAVNVPVTDGLQELTQ------SDDNTKIVDNYVKEVINEVQEKT------DKNVYTDGLEIYTNLDLDAQKKLYDIVNTDQYVSYPDDEMQVASTLIDTNTGKVKAQIGGRHIAEDVTLGNNLAVNTSRDFGSTMKPVTDYGPAFEYLKYSTGKTITDAPYNYEGTSTPVGNWDNQYMGTITLRQALYLSRNVPAVKLFNEV----GSDKVASFLKNLGIEYS-TIHQSNAISSNTEEQDGTKYGASSLKMAAAYAAFANGGTYYKPQYVNKIVFQDGTEETYEPDGKTAMSPETAYMITDILKDTIT-EGTGTNAQIAGLYQAGKTGTSNYTDDEYAKLGISSGVYPDILFAGYTPNYSISVWTGYNKKMTP----V-TSESSHVASDVYRELMQYVSANVTNTDWEMPSGLIRVGGELYYKDQYTARSNAITPSTTIPSSSYVQTPGSSTTETTTQSSSSTSQSESTAESSKESTTAETSEPASSTTVPSSSSEESSTPSSSAPPASSSEPATSGADAANDHTPSSSTSASGNR 3DWK Chain:C ((4-602)) -------------------------------------------------------------------------------DPIPAKIYDKNGELVKTLDNGQRHEHVNLKDVPKSMKDAVLATEDNRFYEHGALDYKRLFGAIGKNLTGGFGSEGASTLTQQVVKDAFLS---QHKSIGRKAQEAYLSYRLEQEYSKDDIFQVYLNKIYYSDGVTGIKAAAKYYFNKDLKDLNLAEEAYLAGLPQVPNNYNIYDHPKAAEDRKNTVLYLMHYHKRITDKQWEDAKKIDLKANLVNRTPEERQNIDTNQDSEYNSYVNFVKSELMNNKAFKDENLGNVLQSGIKIYTNMDKDVQKTLQNDVDNGSFY--KNKDQQVGATILDSKTGGLVAISGGRDFKDV--VNRNQATD-PHPTGSSLKPFLAYGPAIENMKWATNHAIQDESSYQVD-GSTFRNYDTKSHGTVSIYDALRQSFNIPALKAWQSVKQNAGNDAPKKFAAKLGLNYEGDIGPSEVLGGSAS-------EFSPTQLASAFAAIANGGTYNNAHSIQKVVTRDGETIEYDHTSHKAMSDYTAYMLAEMLKGTFKPYGSAYGHGVSGVNMGAKTGTGTYGAETYSQYNLPDNAAKDVWINGFTPQYTMSVWMGFSKVKQYGENSFVGHSQQEYPQFLYENVMSKISSR-DGEDFKRPSSV---------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3DWK.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 3327 218689 65.73 380.99 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain C : 0.74 3D Compatibility (PKB) : 65.73 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.433

(partial model without unconserved sides chains): PDB file : Tito_3DWK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3DWK-query.scw PDB file : Tito_Scwrl_3DWK.pdb: