Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MENFIGSHMIYTYENGWEYEIYIKNDHTIDYRIHSGMVAGRWVRDQEVNIVKLTEGVYKVSWTEPTGTDVSLNFMPNEKRMHGIIFFPKWVHEHPEITVCYQNDHIDLMKESREKYETYPKYVVPEFAEITFLKNEGVDNEEVISKAPYEGMTDDIRAGRL 3NAD Chain:A ((1-160)) MDQFVGLHMIYTYENGWEYEIYIKNDHTIDYRIHSGMVGGRWVRDQEVNIVKLTKGVYKVSWTEPTGTDVSLNFMPEEKRMHGVIFFPKWVHERPDITVCYQNDYIDLMKESREKYETYPKYVVPEFADITYIHHAGVNDETIIAEAPYEGMTDEIRAGR-

General information: TITO was launched using: RESULT: Template: 3NAD.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 : 780 -69739 -89.41 -435.87 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.98 3D Compatibility (PKB) : -89.41 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.98 QMean score : 0.568

(partial model without unconserved sides chains): PDB file : Tito_3NAD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NAD-query.scw PDB file : Tito_Scwrl_3NAD.pdb: