Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSGRGKGGKGLGKGGAKRHRKVLRDNIQGITKPAIRRLARRGGVKRISGLIYEETRGVLKVFLENVIRDAVTYTEHAKRKTVTAMDVVYALKRQGRTLYGFGG 3AYW Chain:B ((29-106)) -------------------------NIQGITKPAIRRLARRGGVKRISGLIYEETRGVLKVFLENVIRDAVTYTEHAKRKTVTAMDVVYALKRQGRTLYGFGG

General information: TITO was launched using: RESULT: Template: 3AYW.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 185 -28304 -152.99 -362.87 target 2D structure prediction score : 0.86 Monomeric hydrophicity matching model chain B : 0.91 3D Compatibility (PKB) : -152.99 2D Compatibility (Sec. Struct. Predict.) : 0.86 1D Compatibility (Hydrophobicity) : 0.91 QMean score : 0.553

(partial model without unconserved sides chains): PDB file : Tito_3AYW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3AYW-query.scw PDB file : Tito_Scwrl_3AYW.pdb: