Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence FFFGNITREEAEDYLVQGGMSDGLYLLRQSRNYLGGFALSVAHGRKAHHYTIERELNGTYAIAGGRTHASPADLCHYH 4XZ1 Chain:A ((13-90)) FFYGSISRAEAEEHLKLAGMADGLFLLRQCLRSLGGYVLSLVHDVRFHHFPIERQLNGTYAIAGGKAHCGPAELCEFY

General information: TITO was launched using: RESULT: Template: 4XZ1.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 : 280 -47211 -168.61 -605.26 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.88 3D Compatibility (PKB) : -168.61 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.88 QMean score : 0.434

(partial model without unconserved sides chains): PDB file : Tito_4XZ1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XZ1-query.scw PDB file : Tito_Scwrl_4XZ1.pdb: