Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNYYTTAETPLGELIIAEEEDRITRLFLSQEDWVDWKETVQNTEHKETPN---LAEAKQQLQEYFAGERKTFSLPLSQKGTPFQQKVWQALERIPYGESRSYADIAAAVGSPKAVRAVGQANKRNDLPIFVPCHRVIGKNSALTGYAGSKTEIKAFLLNIERISYKEK 4BHB Chain:A ((1-150)) MVHYRTIDSPIGPLTLAGHGSVLTNLRM-------LEQTYEPSRTHWTPDPGAFSGAVDQLNAYFAGELTEFDVELDLRGTDFQQRVWKALLTIPYGETRSYGEIADQIGAPGAARAVGLANGHNPIAIIVPCHRVIGASGKLTGYGGGINRKRALL-----------

General information: TITO was launched using: RESULT: Template: 4BHB.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 : 657 -69587 -105.92 -473.38 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -105.92 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.675

(partial model without unconserved sides chains): PDB file : Tito_4BHB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4BHB-query.scw PDB file : Tito_Scwrl_4BHB.pdb: