Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MINMEKETIVEVTKLGFTIQAAVKVIGKDLLITLTGGDTPHIGTVTTFSRDTEMQTVRF----PSHD-------------GRFHKDDVLAEKIAVIIKTAVPGSCTITSGIHVDHISNAQINASFPMSEELGYKILDWLEKIDFHIKEPVYYKDGEKPL 3PJN Chain:A ((125-201)) --------------VAFLQKHGSEKVQKVMFAPMNAGDGPHYGANVKFEEGLGTYKVRFEIAAPSHDEYSLHIDEQTGVSGRFWSEPLVAE--------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3PJN.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 : 136 -7004 -51.50 -116.73 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -51.50 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.150

(partial model without unconserved sides chains): PDB file : Tito_3PJN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PJN-query.scw PDB file : Tito_Scwrl_3PJN.pdb: