Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKIAFLFPGQGSQFIGMGKELYEQVPAAKRLFDEADETLETKLSSLIFEGDAEELTLTYNAQPALLTTSIAVLEKFKESG-ITPDFTAGHSLGEYSALVAAGALSFKDAVYTVRKRGEFMNEAVPAGEGAMAAILGMDAEALKQVTDKVTEEGNLVQLANLNCPGQIVISGTAKGVELASELAKENGAKRAIPLEVSGPFHSELMKPAAEKLKEVLDACDIKDADVPVISNVSADVMTEKADIKEKLIEQLYSPVRFEESINKLIAEGVTTFIEIGPGKVLSGLVKKVNRRLKTIAVSDPETIELAIQTLKEENDNA 3TQE Chain:A ((6-314)) -QSFAFVFPGQGSQHLGMLAELGLQQPIVLETFQQASSALAYDLWALVQHGPQERLDQTQFTQPALLTADVAIFRCWEALGGPKPQVMAGHSLGEYAALVCAGALKFEEAVKLVEKRGQYMQEAVPVGEGAMGAIIGLNEAEIESICENAA-LGQVVQPANLNSTDQTVISGHSEAVDRALNMAKTEGAKIAKRIPVSVPSHCPLMQPAADRLAQDIAKISIDSPKVPVIHNVDVVDHNEANIIRGALIKQLVRPVRWVETIKYIEEQGIKVFMECGPDNKLAGLIKRIDRQSEILPLTTTELILTAIKRL-------

General information: TITO was launched using: RESULT: Template: 3TQE.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 : 1921 -203302 -105.83 -660.07 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -105.83 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.583

(partial model without unconserved sides chains): PDB file : Tito_3TQE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3TQE-query.scw PDB file : Tito_Scwrl_3TQE.pdb: