Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKVVKAKNLIAFRIWLEKLGYSVKNLADG---KGFTFSLKKEYGLVTCDLAGNALAMQLGEEFEDHLKA 3VUS Chain:A ((27-82)) ---SVRTSALREQFAWLRENGYQPVSIAQIREAHRGGKPLPEKAVVLTFDDGYQ----------------

General information: TITO was launched using: RESULT: Template: 3VUS.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 : 83 -1132 -13.64 -23.58 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -13.64 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.216

(partial model without unconserved sides chains): PDB file : Tito_3VUS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VUS-query.scw PDB file : Tito_Scwrl_3VUS.pdb: