Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQIYLNGELTDTPSQNLLQLIQELALEGKRFAVEHNQQIVPKSKLEQISIAQHDRIEIIHAVGGG 2LEK Chain:A ((1-65)) MLVTINGEQREVQSASVAALMTELDCTDGHYAVALNYDVVPRGKWDETPVTAGDEIEILTPRQGG

General information: TITO was launched using: RESULT: Template: 2LEK.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 : 239 -43428 -181.71 -668.12 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -181.71 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.519

(partial model without unconserved sides chains): PDB file : Tito_2LEK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2LEK-query.scw PDB file : Tito_Scwrl_2LEK.pdb: