Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MATEIKAPVFPESVADGTIATWHKKVGEPASRDEVICDIETDKVVLEVVAPADGSLVAIIKGEGDTVLSDEVIAQFEAGAGAAAAAPAAVEQAVAQTQAGAAPVVERNETVSDQAPAVRKALTESGIAASDVQGTGRGGRITKEDVANHQAKPAANVTPLSVAVGERIEKRVPMTRLRKRVAERLLAATQETAMLTTFNEVNMKPIMELRKQYKDAFEKRHGARLGFMSFFVKAATEALKRYPAVNASIDGDDIVYHGYYDIGVAVSSDRGLVVPVLRDTDRMSYAEVEAGIAAYAAKARDGKLSIEEMTGGTFTITNGGTFGSLLSTPILNQPQTGILGMHKIQERPMAVNGQ--VEILPMMYLALSYDHRMIDGKEAVGFLVAIKELLEEPAKLILDL 3B8K Chain:A ((337-561)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------IPISNIRRVIAQRLMQSKQTIPHYYLSIDVNMGEVLLVRKELNKILEGR--SKISVNDFIIKASALACLKVPEANSSWMDTVIRQNHVVDVSVAVSTPAGLITPIVFNAHIKGVETIANDVVSLATKAREGKLQPHEFQGGTFTISNLGMFGIKNFSAIINPPQACILAIGASEDKLVPADNEKGFDVASMMSVTLSCDHRVVDGAVGAQWLAEFRKYLEKPITMLL--

General information: TITO was launched using: RESULT: Template: 3B8K.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 : 1025 -81794 -79.80 -366.79 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -79.80 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.457

(partial model without unconserved sides chains): PDB file : Tito_3B8K.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3B8K-query.scw PDB file : Tito_Scwrl_3B8K.pdb: