Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKQTRALMEGAILISLFAIITLLVVYVPVIGTILLFALPLPMILYTIRHGLKLGIWMGAVSLPVVFI-VGSFNGLIVAFMSACAGIAMGHFFKRKEPGHAIISGALIYMLSIVFYFVISIQFLGINIIDEAMTQYRQSLDIVETVAKQSGNAGQFEKQLKLMEEQLGIVQYLFPTAIVMVGVIFSFLSYLIAKPLLRRFSPDIPNLKPFRELKFPQSVVVLYLIIVMLSFLPLEKGQMLYSIALNGEFILGFLIFIQGLSFIFFYCHKKQYPKAAAVIAVILGFVHPVFMAAIRILGVLDMGFHIRNKVK 4HUQ Chain:S ((10-101)) --DTLSMVTMGVLMALQLVISRFS--VGN-NFIKVSFTFLIVALIAKWFGPWWGMLTAAVVDVIGTLMTGGPFFIGFTVSAVLGSLIYAVFLYRQPV---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4HUQ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain S - contact count / total energy / energy per contact / energy per residue : 281 -56785 -202.08 -624.01 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain S : 0.46 3D Compatibility (PKB) : -202.08 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.46 QMean score : 0.190

(partial model without unconserved sides chains): PDB file : Tito_4HUQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4HUQ-query.scw PDB file : Tito_Scwrl_4HUQ.pdb: