Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVKELFMKKQNLFLVLLSVFLLCLGACGQKESQTGKG-MKIVTSFYPIYAMVKEVSGDLNDVRM-IQSSSGIHSFEPSANDIAAIYDADVFVYHSHTLESWAGSLDPNLKKSKVKVLEASEGMTLERVPGLEDVEAGDGVDEKTL-YDPHTWLDPEKAGEEAQIIADKLSEVDSEHKETYQKNAQAFIKKAQELTKKFQPKFEKATQKTFVTQHTAFSYLAKRFGLNQLGIAGISPEQEPSPRQLTEIQEFVKTYKVKTIFTESNASSKVAETLVKSTGVGLKTLNPLE--SDPQNDK--TYLENLEENMSILAEELK 2O1E Chain:A ((21-300)) -------------------------------------KLHVVTTFYPMYEFTKQIVKDKGDVDLLIPSSVEPHDWEPTPKDIANIQDADLFVYNSEYMETWVPSAEKSMGQGHAVFVNASKGIDLMEG----------------HAMDPHVWLSPVLAQKEVKNITAQIVKQDPDNKEYYEKNSKEYIAKLQDLDKLYRTTAKKAEKKEFITQHTAFGYLAKEYGLKQVPIAGLSPDQEPSAASLAKLKTYAKEHNVKVIYFEEIASSKVADTLASEIGAKTEVLNTLEGLSKEEQDKGLGYIDIMKQNLDALKDSL-

General information: TITO was launched using: RESULT: Template: 2O1E.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 : 1279 73929 57.80 287.66 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : 57.80 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.581

(partial model without unconserved sides chains): PDB file : Tito_2O1E.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2O1E-query.scw PDB file : Tito_Scwrl_2O1E.pdb: