Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSFLHVDHVTHTYFSIKEKTTAVRDIHFDAEKGDFISFLGPSGCGKTTLLSIIAGLIEPSEGRVLIEGREPNQKEHNIGYMLQQDYLFPWKSIEENVLLGLKIADTLTEESKAAALGLLPEFGLIDVEKKYPKELSGGMRQRAALARTLAPNPSLLLLDEPFSALDFQTKLSLENLVFRTLKEYQKTAVLVTHDIGEAIAMSDTIFLFSNQPGTIHQIFTIPKELAAMLPFDARQEPSFQTLFQTIWKELNSLEKQQRNH 3BK7 Chain:A ((381-550)) -------------------------------KGEVIGIVGPNGIGKTTFVKMLAGVEEPTEGKV--------EWDLTVAYKPQ----YIKAEYEGTVYELLSKIDSSKLNSNFYKTELLKPLGIIDLYDRNVEDLSGGELQRVAIAATLLRDADIYLLDEPSAYLDVEQRLAVSRAIRHLMEKNEKTALVVEHDVLMIDYVSDRLIVFEGEPG-----------------------------------------------

General information: TITO was launched using: RESULT: Template: 3BK7.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 : 771 -87395 -113.35 -514.09 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -113.35 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.427

(partial model without unconserved sides chains): PDB file : Tito_3BK7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3BK7-query.scw PDB file : Tito_Scwrl_3BK7.pdb: