Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVIKKKREKEMFENKKIKINVSDFQKVSAVTAVMMQTILSFALANSHSATNTAFLGTFYVIVKYTAPMFIFAIVYNMVKTSQHLSYWEFLKEKFFELVVPYLLWTTAYLWLFPAVQQQTPYTDTASFLLKYVTGDGAPHLWYTVMMLQIQLFMPFFVWLGYKVFANKKYVWPVLIGSTILYVAWYLFYQTQVLTGPYHDSWYLLDRFVASFMIYGVAAFVYHEKVYQYLDRVRYLFLPVALVIAFFSVRSLLAHPGDLSFANAPYLNTIQSLYSLVIIFAVFIGASKMIVNDSPKLPLFKWLSVYAYRTYLANVFVFQVLLLLFKDSWLQLPSGVMILVAYLMTASCAFALSWLLHIIWVAIKKGFSK 1XOU Chain:B ((2-85)) -GIVSQTRNKELLDKKIRSEIEAIKKIIAEFDVVKESVNELSEKAKTDPQAAEKLNKLIEGYTYGEERKLYDSALSKIEKLIETL-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1XOU.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 78 -8890 -113.97 -105.83 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain B : 0.40 3D Compatibility (PKB) : -113.97 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.40 QMean score : 0.177

(partial model without unconserved sides chains): PDB file : Tito_1XOU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1XOU-query.scw PDB file : Tito_Scwrl_1XOU.pdb: