Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---MKRARIIYNPTSGREIFKKHLAQVLQKFEQAGYETSTHATTCAGDATHAAKEAALREFDLIIAAGGDGTINEVVNGLAPLDNRPTLGVIPVGTTNDFARALGIPREDILKAADTVINGVARPIDIGQVNGQYFINIAGGGRLTELTYDVPSKLKTMLGQLAYYLKGMEMLPSLRPTEVEIEYDGKLFQGEIMLF-LVTLTNSVGGFEKLAPDSSLNDGMFDLMILKKANLAEFIRVATMALRGEHINDQHIIYTKANRVKVNVSEKMQLNLDGEYGGMLPGEFVNLYRHIH-VVMPKEKAEQLDD 3S40 Chain:A ((3-300)) KTKFEKVLLIVNPKAGQGDLHTNLTKIVPPLAAAFPDLHILHTKEQGDATKYCQEFA-SKVDLIIVFGGDGTVFECTNGLAPLEIRPTLAIIPGGTCNDFSRTLGVPQ-NIAEAAKLITKEHVKPVDVAKANGQHFLNFWGIG------------------KIGYYLSTIE------TFPVKITYDGQVYEDEAVLVMVG-NGEYLGGIPSFIPNVKCDDGTLDIFVVKSTGIQAFKDYIGKKLF-EDSNENDIFHVKAKSIHIETEEEKEVDTDSSLHT--PCQIELLQGHFTMIYNPAVV------

General information: TITO was launched using: RESULT: Template: 3S40.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 : 1542 -177461 -115.08 -664.65 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -115.08 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.578

(partial model without unconserved sides chains): PDB file : Tito_3S40.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3S40-query.scw PDB file : Tito_Scwrl_3S40.pdb: