Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSAVNFNMRLEAELKEQVTPILEDYGLTMPQAFKLFLNQIVKTKAIPLSFDYARETALTPKAAAKLLQSLKEIENGEYTEYETVEEAIKAMSEEAHG 2K29 Chain:A ((1-49)) --MGSINLRIDDELKARSYAALEKMGVTPSEALRLMLEYIADNERLPFKQT----------------------------------------------

General information: TITO was launched using: RESULT: Template: 2K29.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 : 55 -6948 -126.32 -141.79 target 2D structure prediction score : 0.90 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -126.32 2D Compatibility (Sec. Struct. Predict.) : 0.90 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.512

(partial model without unconserved sides chains): PDB file : Tito_2K29.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2K29-query.scw PDB file : Tito_Scwrl_2K29.pdb: