Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSTESASGTPTQPSLFVLVKQILILAGFWWIGYLLHQKLGVPVSAGILGMFLLLLCLFFKIIKMDQVAMGATVVLGELLLFFVPVVVAVVQYKTLFMTEGWQIVLSIAVGTILVMLSTSLTIHYYNRLKAYLQARKRLQHKHI 2KNC Chain:A ((964-990)) -------------------------------------------------------------------------------------------------IPIWWVLVGVLGGLLLLTILVLAMWKV-------------------

General information: TITO was launched using: RESULT: Template: 2KNC.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 : 13 -1770 -136.12 -65.54 target 2D structure prediction score : 0.33 Monomeric hydrophicity matching model chain A : 0.42 3D Compatibility (PKB) : -136.12 2D Compatibility (Sec. Struct. Predict.) : 0.33 1D Compatibility (Hydrophobicity) : 0.42 QMean score : 0.004

(partial model without unconserved sides chains): PDB file : Tito_2KNC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2KNC-query.scw PDB file : Tito_Scwrl_2KNC.pdb: