Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGQTIISAIGVYISTSIDYLIILIILFAQLSQNKQKWHIYAGQYLGTGLLVGASLVAAYVVNFVPEEWMVGLLGLIPIYLGIRFAIVGEDAEEEEEEIIERLEQSKANQLFWTVTLLTIASGGDNLGIYIPYFASLDWSQTLVALLVFVIGIIIFCEISRVLSSIPLIFETIEKYERIIVPLVFILLGLYIMYENGTIETFLIV 4BWK Chain:A ((282-360)) -----------------------------------------------------------------------LLGGITTHLANFANFVMQESDEKEFHLMRELENGRIARLMFKLSV--VNER-----------------ETGERLLLKLFRDYVFHQVD---------------------------------------------

General information: TITO was launched using: RESULT: Template: 4BWK.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 : 51 -7284 -142.82 -105.57 target 2D structure prediction score : 0.42 Monomeric hydrophicity matching model chain A : 0.48 3D Compatibility (PKB) : -142.82 2D Compatibility (Sec. Struct. Predict.) : 0.42 1D Compatibility (Hydrophobicity) : 0.48 QMean score : 0.331

(partial model without unconserved sides chains): PDB file : Tito_4BWK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4BWK-query.scw PDB file : Tito_Scwrl_4BWK.pdb: