Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDIRQLRYFITIAQEQKITSAAKKLHMAQPPLSRQLKQLEDELGVVLFDRNKKKQMTLTYEGAVFLKRAKEILHRFEDAVIEVQELKEEVAGTLAVGSTIYCAALMLEKVTQIKERYPHLTFNIWENEPATLLELLESRQIDAAVTTTLIKSDTVQFKQLDDIPCVLVLSDEAGYPCGDTIKMVDIPSFPLILLRPVNGKGVYNQVMNEFHRLNLEPRIVCECHDSATLLSLVSSGFGASILPVTMIPVHMRNHVHTVHIENNPFIMTPAVMWRTDSYLPKPAQQFLDLF 4IHS Chain:B ((1-79)) MELRHLRYFVAVVEEQSFTKAADKLCIAQPPLSRQIQNLEEELGIQLLERGSRPVKT-TPEGHFFYQYAIKLLSNVDQMV------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4IHS.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 254 -39395 -155.10 -498.67 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain B : 0.57 3D Compatibility (PKB) : -155.10 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.745

(partial model without unconserved sides chains): PDB file : Tito_4IHS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4IHS-query.scw PDB file : Tito_Scwrl_4IHS.pdb: