Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MYKADYKQIAATPSFQAFLKQKRAFIVPSAIFFFVFYFSLPVLTSYFTFLNAPAIGAVSWAWLFAIAQFAMTWILSTVYSRRA-AHFDKYVSALKEDLKGEQT 4HKR Chain:A ((112-186)) ------------------IETAWAFS---TLLGLILFLLEIAILCWVKFYDLSRRAAWSATVVLIPVMIIFMAFAIHFYRSLVSHKYEVTVSGIRE-------

General information: TITO was launched using: RESULT: Template: 4HKR.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 : 109 -28461 -261.11 -384.60 target 2D structure prediction score : 0.78 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -261.11 2D Compatibility (Sec. Struct. Predict.) : 0.78 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.109

(partial model without unconserved sides chains): PDB file : Tito_4HKR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4HKR-query.scw PDB file : Tito_Scwrl_4HKR.pdb: