Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFISFEGTEGVGKTTLIRKIHQHFEEQGKQVVLTREPGGTPLAEQIRSMLLAVNHDENMSHDTELLLIYAARAQHLQQVILPALESNKIVLSDRFTDASFAYQCSGRGLSQDKLQLLNQNFVSR--MPEVTFWLDAPIELGMNRARERGALDRFEQEKLSFFTKVREGYETLWKAEPERIKRLDATQSPDQVFEQALQYLA 5XB2 Chain:A ((1-190)) MLIAFEGIDGSGKTTQAKKLYEYLKQKGYFVSLYREPGGTKVGEVLREILLT----EELDERTELLLFEASRSKLIEEKIIPDLKRDKVVILDRFVLSTIAYQGYGKGLDVEFIKNLNE-FATRGVKPDITLLLDIPVDIALRRLKEK---NRFENKE--FLEKVRKGFLELAK-EEENVVVIDASGEEEEVFKEILRALS

General information: TITO was launched using: RESULT: Template: 5XB2.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 : 918 -10690 -11.64 -56.86 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : -11.64 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.592

(partial model without unconserved sides chains): PDB file : Tito_5XB2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5XB2-query.scw PDB file : Tito_Scwrl_5XB2.pdb: