Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTQEQQHQVEDLNDQMLVRRQK-MEQLREDGIDPFGKRFERTHNSEELHELFDPRTKEELAEMGLTASVAGRMMTRRGKGKA-GFAHLQDREGQIQIYVRKDQVGDEAYE-------VFKHADLGDFFGVTGQIMKTDTGEVSIKASEITILSKALRPLPDKYHGLTNIEQRYRQRYLDLISNRESFDRFMKRSQIISEIRRYLDGNGYIEVETPVLHNEAGGAAARPFITHHNALDIDLYLRIALELHLKRLIVGGMEKVYEIGRVFRNEGIDTTHNPEFTMLEAYTAYTDFNDVMNLTEGIIRNAAEKVL-GTAKITYDGQAVDLESDFKRIHMVDAIKEQTGVDFWQEMTLEEALALAEKHNVEVTEA----MGVGHVINEFFETFVEETLTQP---TFVYGHPVEVSPLAKKNPE------DPRFTDRFELFIVGREFANAFTELNDPIDQ--------RERFE--------------------------AQEKERELGNDEAHGVDEDFLEALEYGMPPTGGLGIGIDRLVMLLTDAQSIRDVLLFPTMR 4UPA Chain:A ((9-568)) -----------LSKQLFLNRCKDVEEYQKAGHNPWPHKFNVSITVPEFIAKYSGLEKSQVSDD--IVSVAGRVLSKRSSSSALMFIDLHDSQTKLQIMLNKS-----AYENKEDFVSLTKMIYRGDICGFTGHPTRTKTGELSLIPISGMILSPCLHMLPSMHYGLGDQETRFRKRYLDLIVNPESVKNFVLRTKVVKAVRKYLDDKGFLEVETPILNTIPGGATARPFITHHNQLDIQMYMRIAPELYLKELVVGGINRVYEIGRLFRNEGIDQTHNPEFTTCEFYMAYADYNDIMKMTEELLGNMVKDITGGSTKLEIK-----------------------------------------KKMVLDFTAPFKRISYVHALEEKFGEKIPRPLDGPEALTFLKKQAIRFNAICAE-PQTTARVMDKLFGDLIEVDLVQPTFVCDQPQLMSPLAKYHRSEPELTERFELFILKREIANAYTELNNPIVQRSNFEQQAKDKA-------LVDEVFLDAIEHAFPPTGGWGLGIDRLAMLLADVDNIKEVILFPTMR

General information: TITO was launched using: RESULT: Template: 4UPA.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 : 1792 92233 51.47 214.00 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : 51.47 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.377

(partial model without unconserved sides chains): PDB file : Tito_4UPA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4UPA-query.scw PDB file : Tito_Scwrl_4UPA.pdb: