Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNIAFIGLGNMGGRMAQNLLKAGLKVYGYDLSEVAIQHFAEAGGVVCDSPQDAAKQADVVITMLPAAKHVKEVYLGENGVLEVLKAGSLCIDSSTIDPQTIKDIAAVAHSKNIKICDAPVSGGTIGAQAGTLTFMVGADEQTFNEVKPVLSHMGKNIVHCGDVGAGQIAKICNNLILGISMAAVAEGMALGVKLGIDPQALAGVINTSSGRCWSSDVCNPWPHINENAPASRGYQDGFATQLMLKDLGLAVEAAGQVKQPVLLGGMVQQLYQQMCMRGNAHLDFSSIIQQYLPQEA 3PEF Chain:A ((3-285)) -KFGFIGLGIMGSAMAKNLVKAGCSVTIWNRSPEKAEELAALGAERAATPCEVVESCPVTFAMLADPAAAEEVCFGKHGVLEGIGEGRGYVDMSTVDPATSQRIGVAVVAKGGRFLEAPVSGSKKPAEDGTLIILAAGDRNLYDEAMPGFEKMGKKIIHLGDVGKGAEMKLVVNMVMGGMMACFCEGLALGEKAGLATDAILDVIGAGA-------MANPMFALKGGLIRDRNFAPAFPLKHMQKDLRLAVALGDRVGQPLVASAAANELFKGARAAGFGDEDFSAIFKTY-----

General information: TITO was launched using: RESULT: Template: 3PEF.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 : 1603 -183612 -114.54 -648.80 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -114.54 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.534

(partial model without unconserved sides chains): PDB file : Tito_3PEF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PEF-query.scw PDB file : Tito_Scwrl_3PEF.pdb: