Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLKNFKEVIAAILPMTVLIVILTFVFAPLEGEDLASFLVGAAIMMIGMTLFLFGADYSMMEVGDLVGKYMIKKKSLTVLVSLGFAIGIVITIAEPSVQVLGQQVYDI------SDGEIGRVLLIGIVSV----GTGVFLAFALLRVVFKLSYYQLMAIGYIGVL-----IASFF-----TSSEFMPIAFDSGGVTTGPVTVPFILALAGGMTSMIKQKKNENDSFGMVGIASLGPILAVMILGVIFQ 5HGZ Chain:A ((2-212)) --MTEEERSSALSEVSLRL---------LCHDDIDTVKHLCGDW--------FPIEYPDSWYRDITSN----KKFFSLAATYRGAIVGMIVAEIKNRTKIHKEDGDILASNFSVDTQVAYILSLGVVKEFRKHGIGSLLLESLKDHISTTAQDHCKAI-YLHVLTTNNTAINFYENRDFKQHHYLPYYYSIRGVLKDGFTYVLYINGGHPPWTILDYIQHLGSALASLSPCSIPH------------

General information: TITO was launched using: RESULT: Template: 5HGZ.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 : 825 -92645 -112.30 -485.05 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -112.30 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.135

(partial model without unconserved sides chains): PDB file : Tito_5HGZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5HGZ-query.scw PDB file : Tito_Scwrl_5HGZ.pdb: