Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKQTRALMEGAILISLFAIITLLVVYVPVI-GTILLFALPLPMILYTIRHGLKLGIWMGAVSLPVVFI-VG-SFNGLIVAFMSACAGIAMGHFFKRKEPGHAIISGALIYMLSIVFYFVISIQFLGINIIDEAMTQYRQSLDIVETVAKQSGNAGQFEKQLKLMEEQLGIVQYLFPTAIVMVGVIFSFLSYLIAKPLLRRFSPDIPNLKPFRELKFPQSVVVLYLIIVMLSFLPLEKGQMLYSIALNGEFILGFLIFIQGLSFIFFYCHKKQYPKAAAVIAVILGFVHPVFMAAIRILGVLDMGFHIRNKVK 4HZU Chain:S ((4-100)) -GSLKENTIAAVLIAMTVALSILV-VIPIPATKGIVTLCEVGIYTSAILYGRRMGLLVGGASGFLIDILTGYPVWCLFSLVIHGTQGLVVGWLLPRHHK---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4HZU.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 : 368 -74173 -201.56 -789.07 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain S : 0.48 3D Compatibility (PKB) : -201.56 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.48 QMean score : 0.291

(partial model without unconserved sides chains): PDB file : Tito_4HZU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4HZU-query.scw PDB file : Tito_Scwrl_4HZU.pdb: