Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTVAMSIMISTEEIQAKVKELGEQINSHYANSDKELVLIGLLRGSVIFMADLCRTITKPHELDFMTVSSYGGGTTSSRDVKILKDLDGEIRGKDVLVVEDIIDSGNTLSKVVEMLQTREPNSIQLCTLVCKPSRREIDLEVKFLGFEVEDKFIVGYGLDYDQKYRHLPFIGEIGL 5KNU Chain:B ((5-179)) MKHTVEVMIPEAEIKARIAELGRQITERYKDSGSDMVLVGLLRGSFMFMADLCREVQVSHEVDFMTASSY-----TTRDVKILKDLDEDIRGKDVLIVEDIIDSGNTLSKVREILSLREPKSLAICTLLDKPSRREVNVPVEFIGFSIPDEFVVGYGIDYAQRYRHLPYIGKVIL

General information: TITO was launched using: RESULT: Template: 5KNU.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 : 828 -139371 -168.32 -819.83 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain B : 0.90 3D Compatibility (PKB) : -168.32 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.90 QMean score : 0.648

(partial model without unconserved sides chains): PDB file : Tito_5KNU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5KNU-query.scw PDB file : Tito_Scwrl_5KNU.pdb: