Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTSAEIREAFLRYFETQGHTRVASSSLVPANDPTLLFTNAGMNQFKDCFLGLEKRDY-----VRATTSQKCVRAGGKHNDLDNVGYTARHHTFFEMLGNFSFGDYFKRDALKFAWEFLTSEQWLALPKDKLYVTVYHTDD--------EAYDIWNKEIGLAPERIIRIGDNKGEKYASDNFWAMGDTGPCGPCSEIFFDHGEHIWGGLPGSP--EEDGDRFIEIWNNVFMQFNRTADGVLHPLPAPSVDTGMGLERISAVLQHVNSNYDIDLFQHLLKAA---------ANIIGIEDEG--QPSLRVVADHARSCCFLIADGVNPSNEGRGYVLRRIIRRAVRHGN-KLGATGTFFYKMLQPLIEVMGQAYPELEARREVIEATLIREEEQFAKTLEQGLKLLEGELAQLKDKTIPGATVFKLYDTYGFPTDLTADIARERGFIIDEAGFEVEMAAQRQRAHDAGKFAVDYNNIVKVEGETQFDGYTNTTGQGQIVAIYKDGVQVDEVSEGDEALIVLNQTPFYAESGGQIGDTGIFKNETGIFEVQDTKKSGGAFVHQGIVTVGNLKTSQNVEAIVKADIREATAHNHSATHLLHAALRQILGSHVQQKGSLVTSDILRFDFANDQPVSFEQLQQVERLVNAEIIANTAVTTELLDIETAKAKGAMMLFGEKYGDEVRVLSMGSVIDEKNFSIELCGGIHVKRTGDIGLFKITSEGGVAAGVRRIEAVTGTKALEVVQKADHDIQYINSLLKAQKDQTVERVQANVELVSALQKQIEQLNQKLANFQAADLIDQVQTIAGRQTLITTVQGVDAKALRNLHDSVKSKLENAVIVLAGVEGDKVSLLASVASQYTANLKAGDIIKHLATELGGKGGGKPDLAQGGAPLNEKFGQVMAALPAWLEQK 4XEO Chain:A ((25-408)) LTASEIRQRFIDFFKRNEHTYVHSSATIPLDDPTLLFANAGMNQFKPIFLNTIDPSHPMAKLSRAANTQKCIRAGGKHN-LDDVGKDVYHHTFFEMLGSWSFGDYFKELACKMALELLTQE--FGIPIERLYVTYFGGDEAAGLEADLECKQIW-QNLGLDDTKILP-GNMK------DNFWEMGDTGPCGPCSEIHYDR----IGGRDAAHLVNQDDPNVLEIWNLVFIQYNREADGILKPLPKKSIDTGMGLERLVSVLQNKMSNYDTDLFVPYFEAIQKGTGARPYTGKVGAEDADGIDMAYRVLADHARTITVALADGGRPDNTGRGYVLRRILHRAVRYAHEKLNASRGFFATLVDVVVQSLGDAFPELKKDPDMVKDIINEEEVQFLKTLSR---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4XEO.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1979 44466 22.47 124.90 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 22.47 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.532

(partial model without unconserved sides chains): PDB file : Tito_4XEO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XEO-query.scw PDB file : Tito_Scwrl_4XEO.pdb: