Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLLAMNEYNKCCFAKHAEKGKKYYCRGCRKRVILKKGKKKCAHFAHQKSDNCSVFSERESKEHLQLKECFMDWLGQSVEPVFLEAYLPRLRQRPDILLANLAIEIQCSRLSHQRFIERTQNYLNNSYQVWWILGNSFLGQSQFSLIEKSCCYYNRKRGVHCWKADLKKQKLYLYHHITETVSGHISFCSSCWTFSSRDLKEIFTSNEIKMNQMKKIEKVSEDGKKWLTRQLIHKQKNTVSIQEQCYLRHKHLLHLSSWIYQKSRFFFYLQEQVFLYRMLYEEALENQKVPDFNSWLCQIKEHKREWLFPMIDEEMVYQQFFNECIHLSSLKK 4AYB Chain:P ((21-37)) -------------------LPGVRCPYCGYKIIFMV--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4AYB.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain P - contact count / total energy / energy per contact / energy per residue : 14 -2916 -208.29 -171.53 target 2D structure prediction score : 0.12 Monomeric hydrophicity matching model chain P : 0.54 3D Compatibility (PKB) : -208.29 2D Compatibility (Sec. Struct. Predict.) : 0.12 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.464

(partial model without unconserved sides chains): PDB file : Tito_4AYB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4AYB-query.scw PDB file : Tito_Scwrl_4AYB.pdb: