Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MASFQSFGIPGQLEVIKKALDHVRVGVVITDPALEDNPIVYVNQGFVQMTGYETEEILGKNCRFLQGKHTDPAEVDNIRTALQNKEPVTVQIQNYKKDGTMFWNELNIDPMEIEDKTY--FVGIQNDITKQKEYEKLLEDSLTEITALSTPIVPIRNGISALPLVGNLTEERFNSIVCTLTNILSTSKDDYLIIDLSGLAQVNEQTADQIFKLSHLLKLTGTELIITGIKPELAMKMNKLDANFSSLKTYSNVKDAVKVLPIM 3UE6 Chain:F ((39-157)) -----------------KALQMAQQNFVITDASLPDNPIVYASRGFLTLTGYSLDQILGRNCRFLQGPETDPRAVDKIRNAITKGVDTSVCLLNYRQDGTTFWNLFFVAGLRDSKGNIVNYVGVQSKVS--EDYAKLL-----------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3UE6.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain F - contact count / total energy / energy per contact / energy per residue : 477 -39375 -82.55 -336.54 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain F : 0.63 3D Compatibility (PKB) : -82.55 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.665

(partial model without unconserved sides chains): PDB file : Tito_3UE6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3UE6-query.scw PDB file : Tito_Scwrl_3UE6.pdb: