Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLKKIIGIGVSAMLALSLAACGSENDENASAAEQVNKTIIGIDPGSGIMSLTDKAMKDYD-LNDWTLISASSAAMTATLKKSYDRKKPIIITGWTPHWMFSRYKLKYLDDPKQSYGSAEEIHTITRKGFSKEQPNAAKLLSQFKWTQDEMGEIMIKVEEGEKPAKVAAEYVNKHKDQIAEWTKGVQKVKGDKINLAYVAWDSEIASTNVIGKVLEDLGYEVTLTQVEAGPMWTAIATGSADASLSAWLPNTHKAYAAKYKGKYDDIGTSMTGVKMGLVVPQYMKNVNSIEDLKK 3L6H Chain:A ((105-254)) ---------------------------------QANKTITGIEPGAGVMAASEKTLNSYDNLKDWKLVPSSSGAMTVALGEAIKQHKDIVITGWSPHWMFNKYDLKYLADPKGTMGTSENINTIVRKGLKKENPEAYKVLDKFNWTTKDMEAVMLDIQNGKTPEEAAKNWIKDHQKEVDKWFK---------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3L6H.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 : 445 -40986 -92.10 -275.07 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -92.10 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.456

(partial model without unconserved sides chains): PDB file : Tito_3L6H.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3L6H-query.scw PDB file : Tito_Scwrl_3L6H.pdb: