Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQIYLNGELTDTPSQNLLQLIQELALEGKRFAVEHNQQIVPKSKLEQISIAQHDRIEIIHAVGGG 2CU3 Chain:A ((1-63)) -MVWLNGEPRPLEGKTLKEVLEEMGVELKGVAVLLNEEAFLGLEVPDRPLRDGDVVEVVALMQG-

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 A - contact count / total energy / energy per contact / energy per residue : 229 -33489 -146.24 -531.56 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -146.24 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.351

(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: