Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQIYLNGELTDTPSQNLLQLIQELALEGKRFAVEHNQQIVPKSKLEQISIAQHDRIEIIHAVGGG 2CU3 Chain:B ((1-64)) -MVWLNGEPRPLEGKTLKEVLEEMGVELKGVAVLLNEEAFLGLEVPDRPLRDGDVVEVVALMQGG

General information: TITO was launched using: RESULT: Template: 2CU3.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 222 -33116 -149.17 -517.44 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain B : 0.75 3D Compatibility (PKB) : -149.17 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.350

(partial model without unconserved sides chains): PDB file : Tito_2CU3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2CU3-query.scw PDB file : Tito_Scwrl_2CU3.pdb: