Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSAVNFNMRLEAELKEQVTPILEDYGLTMPQAFKLFLNQIVKTKAIPLSFDYARETALTPKAAAKLLQSLKEIENGEYTEYETVEEAIKAMSEEAHG 4Q2U Chain:A ((10-68)) --------RIDEDLKNQAADVLAGMGLTISDLVRITLTKVAREKALP--FDLREPNQLT-------IQSIKNSEAG---------------------

General information: TITO was launched using: RESULT: Template: 4Q2U.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 : 57 -8785 -154.11 -148.89 target 2D structure prediction score : 0.83 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -154.11 2D Compatibility (Sec. Struct. Predict.) : 0.83 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.472

(partial model without unconserved sides chains): PDB file : Tito_4Q2U.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4Q2U-query.scw PDB file : Tito_Scwrl_4Q2U.pdb: