Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIRSNLKSIIDERKISIRKLSRDIDHEYPTVRKLYNDEMERYPRDLLDKVCTYLNIELQELLIFEKSHNHIDHSG 3BS3 Chain:A ((12-71)) --LNRIKVVLAEKQRTNRWLAEQMGKSENTISRWCSNK-SQPSLDMLVKVAELLNVDPRQLIN------------

General information: TITO was launched using: RESULT: Template: 3BS3.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 : 219 -29292 -133.75 -488.20 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -133.75 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.777

(partial model without unconserved sides chains): PDB file : Tito_3BS3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3BS3-query.scw PDB file : Tito_Scwrl_3BS3.pdb: