Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIGQRIKQYRKEKGYSLSELAEKAGVAKSYLSSIERNLQTNPSIQFLEKVSAVLDVSVHTLLDEKHETEYDGQLDSEWEKLVRDAMTSGVSKKQFREFLDYQKWRKSQKEE 2B5A Chain:A ((12-70)) --GRTLKKIRTQKGVSQEELADLAGLHRTYISEVERG-DRNISLINIHKICAALDIPASTFF-------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2B5A.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 : 201 -30251 -150.50 -512.72 target 2D structure prediction score : 0.76 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -150.50 2D Compatibility (Sec. Struct. Predict.) : 0.76 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.665

(partial model without unconserved sides chains): PDB file : Tito_2B5A.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2B5A-query.scw PDB file : Tito_Scwrl_2B5A.pdb: