Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKPDISELSVEELKRLQEEAEALIASKKDQAIEDAYNQIIEIAENVGFSVEQLLEFGAQKRKKTTRKSVEPRYRNKNNAEETWTGRGKQPRWLVAEIEKGAKLEDFLI 4LYP Chain:A ((362-397)) -------------------------SHKDEYYQKAFNQIVSLASNRSFSGSNFWAYGGEGR-----------------------------------------------

General information: TITO was launched using: RESULT: Template: 4LYP.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 : 24 -2897 -120.69 -80.46 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -120.69 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.502

(partial model without unconserved sides chains): PDB file : Tito_4LYP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4LYP-query.scw PDB file : Tito_Scwrl_4LYP.pdb: