Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEMDITQYLSTQGPFAVLFCWLLFYVMKTSKERESKLYNQIDSQNEVLGKFSEKYDVVIEKLDKIEQNFK 2WRG Chain:I ((50-84)) ----------------------------------NKVNSVIEKMNTQFTAVGKEFNNLERRIENLNKKV-

General information: TITO was launched using: RESULT: Template: 2WRG.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain I - contact count / total energy / energy per contact / energy per residue : 27 4482 166.00 128.06 target 2D structure prediction score : 0.43 Monomeric hydrophicity matching model chain I : 0.59 3D Compatibility (PKB) : 166.00 2D Compatibility (Sec. Struct. Predict.) : 0.43 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.232

(partial model without unconserved sides chains): PDB file : Tito_2WRG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2WRG-query.scw PDB file : Tito_Scwrl_2WRG.pdb: