Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSTEHMEELNDQQIVRREK-MAALREQGIDPFGKRFERTANSQELKDKYANLDKEQLHDKNETATIAGRLVTKRGKGK-VGFAHLQDREGQIQIYVRKDAVGEENYEIF----KKADLGDFLGVEGEVMRTDMGELSIKATHITHLSKALRPLPEKFHGLTDVETIYRKRYLDLISNRESFERFVTRSKIISEIRRYLDQKGFLEVETPVLHNEAGGAAARPFITHHNAQNIDMVLRIATELHLKRLIVGGMERVYEIGRIFRNEGMDATHNPEFTSIEVYQAYADFQDIMDLTEGIIQHAAKSVKG--------DGPVNYQGTEIKINEPFKRVHMVDAIREITGVDFWQDMTLEEAKAIAAEKKVPVE--KHYTEVGHIINAFFEEFVEE-----------TLIQPTFVYGHPVAVSPLAKKNPEDQRFTDRFELFIMTKEYGNAFTELNDPIDQLSR----------------------------------FEAQAKAKELGDDEATGIDYDYIEALEYGMPPTGGLGIGIDRLCMLLTDTTTIRDVLLFPTMK 4UP9 Chain:A ((9-568)) --------LSKQLFLNRCKDVEEYQKAGHNPWPHKFNVSITVPEFIAKYSGLEKSQVSD--DIVSVAGRVLSKRSSSSALMFIDLHDSQTKLQIMLNKSAY--ENKEDFVSLTKMIYRGDICGFTGHPTRTKTGELSLIPISGMILSPCLHMLPSMHYGLGDQETRFRKRYLDLIVNPESVKNFVLRTKVVKAVRKYLDDKGFLEVETPILNTIPGGATARPFITHHNQLDIQMYMRIAPELYLKELVVGGINRVYEIGRLFRNEGIDQTHNPEFTTCEFYMAYADYNDIMKMTEELLGNMVKDITGGSTKLEIK--------------------------------------------------KMVLDFTAPFKRISY-VHALEEKFGEKIPRPLDGPEALTFLKKQAIRFNAICAEPQTTARVMDKLFGDLIEVDLVQPTFVCDQPQLMSPLAKYHRSEPELTERFELFILKREIANAYTELNNPIVQRSNFEQQAKDKA-------LVDEVFLDAIEHAFPPTGGWGLGIDRLAMLLADVDNIKEVILFPTMR

General information: TITO was launched using: RESULT: Template: 4UP9.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 : 1790 61695 34.47 144.82 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : 34.47 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.408

(partial model without unconserved sides chains): PDB file : Tito_4UP9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4UP9-query.scw PDB file : Tito_Scwrl_4UP9.pdb: