Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTVAMSIMISTEEIQAKVKELGEQINSHYANSDKELVLIGLLRGSVIFMADLCRTITKPHELDFMTVSSYGGGTTSSRDVKILKDLDGEIRGKDVLVVEDIIDSGNTLSKVVEMLQTREPNSIQLCTLVCKPSRREIDLEVKFLGFEVEDKFIVGYGLDYDQKYRHLPFIGEIGL 5KNX Chain:A ((5-179)) MKHTVEVMIPEAEIKARIAELGRQITERYKDSGSDMVLVGLLRGSFMFMADLCREVQVSHEVDFMTASSYGS----TRDVKILKDLDEDIRGKDVLIVEDIIDSGNTLSKVREILSLREPKSLAICTLLDKPSRREVNVPVEFIGFSIPDEFVVGYGIDYAQRYRHLPYIGKVIL

General information: TITO was launched using: RESULT: Template: 5KNX.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 : 839 -138488 -165.06 -809.87 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.91 3D Compatibility (PKB) : -165.06 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.91 QMean score : 0.680

(partial model without unconserved sides chains): PDB file : Tito_5KNX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5KNX-query.scw PDB file : Tito_Scwrl_5KNX.pdb: