Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDYKGYLIDLDGTIYRGTQPIPAGKRFVEELQKRKLPFLFVTNNTTKSPETVANRLADEFDIHVAPETVYTATLATIDFMKADGKGKKVYVIGEAGLIDLILAAGFTWEEEAPDYVVVGLDNYLTYEKVVKATLAIQKGATFIGTNPDKNIPTERGLLPGAGSVISFVETATQTPPIYIGKPEAIIMDKAVEVLGLQKEEVIMVGDNYETDIQAGIRNNIDTLLVLSGFTKEEDVPGLPIPATYVKQSLDEWSF 3PDW Chain:A ((4-255)) KTYKGYLIDLDGTMYNGTEKIEEACEFVRTLKDRGVPYLFVTNNSSRTPKQVADKLV-SFDIPATEEQVFTTSMATAQHIAQQKKDASVYVIGEEGIRQAIEENGLTFGGENADFVVVGIDRSITYEKFAVGCLAIRNGARFISTNGDIAIPTERGLLPGNGSLTSVLTVSTGVQPVFIGKPESIIMEQAMRVLGTDVSETLMVGDNYATDIMAGINAGMDTLLVHTG------MTDDMEKPTHAIDSLTEWI-

General information: TITO was launched using: RESULT: Template: 3PDW.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 : 1425 -149226 -104.72 -606.61 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.84 3D Compatibility (PKB) : -104.72 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.584

(partial model without unconserved sides chains): PDB file : Tito_3PDW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PDW-query.scw PDB file : Tito_Scwrl_3PDW.pdb: