Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence FFYGSISRAEAEEHLKLAGMADGLFLLRQCLRSLGGYVLSLVHDVRFHHFPIERQLNGTYAIAGGKAHCGPAELCEFY 1A81 Chain:I ((7-84)) FFFGNITREEAEDYLVQGGMSDGLYLLRQSRNYLGGFALSVAHGRKAHHYTIERELNGTYAIAGGRTHASPADLCHYH

General information: TITO was launched using: RESULT: Template: 1A81.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain I - contact count / total energy / energy per contact / energy per residue : 289 -48875 -169.12 -626.60 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain I : 0.88 3D Compatibility (PKB) : -169.12 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.88 QMean score : 0.491

(partial model without unconserved sides chains): PDB file : Tito_1A81.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1A81-query.scw PDB file : Tito_Scwrl_1A81.pdb: