Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLFKLSKEKIELGLSRLSPARRIFLSFALVILLGSLLLSLPFVQVESSRATYFDHLFTAVSAVCVTGLSTLPVAHTYNIWGQIICLLLIQIGGLGLMTFIGVFYIQSKQKLSLRSRATIQDSFSYGE-TRSLRKFVYSIFLTTFLVESLGAILLSFRLIPQLGWGRGLFSSIFLAISAFCNAGFDNLGSTSLFAFQTDLLVNLVIAGLIITGGLGFMVWFDLAGHVGRKKKGRLHFHTKLVLLLTIGLLLFGTATTLFLEWNNAGTIGNLPVADKVLVSFFQTVTMRTAGFSTIDYTQAHPVTLLIYILQMFLGGAPGGTAGGLKITTFFVLLVFARSELLGLPHANVARRTIAPRTVQKSFSVFIIFLMSFLIGLILLGITAKGNPPFIHLVFETISALSTVGVTANLTPDLGKLALSVIMPLMFMGRIGPLTLFVSLADYHPEKKDMIHYMKADISIG 5BUT Chain:K ((15-445)) -----------------TPPQVLAIGFFLTIIIGAVLLMLPISTT--KPLSWIDALFTAASATTVTGLAVVDTGTQFTVFGQTVIMGLIQIGGLGFMTFAVLIVMILAAAIGLKE-RMLVQEALNQPTIGGVIGLVKVLFLFSISIELIAALILSIRLVPQYGWSSGLFASLFHAISAFNNAGFSLWP-DNLMSYVGDPTVNLVITFLFITGGIGFTVLFDVMKQR---RFKTFSLHTALMLTGTLMLNAIAMLTVFILEYSNPGTLGHLAAVDKLWASYFQAVTPRTAGFNSLDFGSMREGTIVFTLLLMFIGAGSASTASGIKLTTFIVILTSVIAYLRGKKETVIFRRSIKYPIIIKALAVSVTSLFIVFLGIFALTITE--QAPFLQIVFETFSAFGTVGLTMGLTPELTTAGKCIIIVIMFIGRIGPLTFVFSFAATEQ---SNIRYPDGEVFTG

General information: TITO was launched using: RESULT: Template: 5BUT.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain K - contact count / total energy / energy per contact / energy per residue : 2247 -312416 -139.04 -726.55 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain K : 0.82 3D Compatibility (PKB) : -139.04 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.358

(partial model without unconserved sides chains): PDB file : Tito_5BUT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5BUT-query.scw PDB file : Tito_Scwrl_5BUT.pdb: