Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSGRGKGGKGLGKGGAKRHRKVLRDNIQGITKPAIRRLARRGGVKRISGLIYEETRGVLKVFLENVIRDAVTYTEHAKRKTVTAMDVVYALKRQGRTLYGFGG 3AV2 Chain:B ((25-102)) -------------------------NIQGITKPAIRRLARRGGVKRISGLIYEETRGVLKVFLENVIRDAVTYTEHAKRKTVTAMDVVYALKRQGRTLYGFGG

General information: TITO was launched using: RESULT: Template: 3AV2.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 : 186 -25501 -137.10 -326.94 target 2D structure prediction score : 0.86 Monomeric hydrophicity matching model chain B : 0.91 3D Compatibility (PKB) : -137.10 2D Compatibility (Sec. Struct. Predict.) : 0.86 1D Compatibility (Hydrophobicity) : 0.91 QMean score : 0.580

(partial model without unconserved sides chains): PDB file : Tito_3AV2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3AV2-query.scw PDB file : Tito_Scwrl_3AV2.pdb: