Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNDKELTFKEGHDILKQNAELLESQESPDIDNLMKIVEESIGAYKACKSRIEAVQQALDETFKE 4DDW Chain:A ((406-432)) -------------VLKEMG-LIKAQENPDVEELRKIAKEHL-----------------------

General information: TITO was launched using: RESULT: Template: 4DDW.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 : 43 -6619 -153.92 -245.13 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -153.92 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.999

(partial model without unconserved sides chains): PDB file : Tito_4DDW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4DDW-query.scw PDB file : Tito_Scwrl_4DDW.pdb: