Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFISFEGTEGVGKTTLIRKIHQHFEEQGKQVVLTREPGGTPLAEQIRSMLLAVNHDENMSHDTELLLIYAARAQHLQQVILPALESNKIVLSDRFTDASFAYQCSGRGLSQDKLQLLNQNFVSR--MPEVTFWLDAPIELGMNRARERGALDRFEQEKLSFFTKVREGYETLWKAEPERIKRLDATQSPDQVFEQALQYLA 5XB3 Chain:B ((1-190)) MLIAFEGIDGSGKTTQAKKLYEYLKQKGYFVSLYREPGGTKVGEVLREILLT----EELDERTELLLFEASRSKLIEEKIIPDLKRDKVVILDRFVLSTIAYQGYGKGLDVEFIKNLNE-FATRGVKPDITLLLDIPVDIALRRLKEK---NRFENKE--FLEKVRKGFLELAK-EEENVVVIDASGEEEEVFKEILRALS

General information: TITO was launched using: RESULT: Template: 5XB3.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 921 -9929 -10.78 -52.81 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain B : 0.82 3D Compatibility (PKB) : -10.78 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.564

(partial model without unconserved sides chains): PDB file : Tito_5XB3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5XB3-query.scw PDB file : Tito_Scwrl_5XB3.pdb: