Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKRARIIYNPTSGREIFKKHLAQVLQKFEQAGYETSTHATTCAGDATHAAKEAALREFDLIIAAGGDGTINEVVNGLAPLDNRPTLGVIPVGTTNDFARALGIPREDILKAADTVINGVARPIDIGQVNGQYFINIAGGGRLTELTYDVPSKLKTMLGQLAYYLKGMEMLPSLRPTEVEIEYDGKLFQGEIMLFLVTLTNSVGGFEKLAPDSSLNDGMFDLMILKKANLAEFIRVATMALRGEHINDQHIIYTKANRVKVNVSEKMQLNLDGEYG-------GMLPGEFVNLYRHIHVVMPKEKAEQLDD 3S40 Chain:A ((6-296)) FEKVLLIVNPKAGQGDLHTNLTKIVPPLAAAFPDLHILHTKEQGDATKYCQEFASK-VDLIIVFGGDGTVFECTNGLAPLEIRPTLAIIPGGTCNDFSRTLGVPQ-NIAEAAKLITKEHVKPVDVAKANGQHFLNFWGIG------------------KIGYYLSTI------ETFPVKITYDGQVYEDEAVLVMVGNGEYLGGIPSFIPNVKCDDGTLDIFVVKSTGIQAFKDYIGKKLF-EDSNENDIFHVKAKSIHIETEEEKEVDTD--SSLHTPCQIELLQGHFTMIYN----------------

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 : 1467 -181037 -123.41 -701.69 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -123.41 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.506

(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: