Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMQEETFYSVRMRASMNGSHEDGGKHISGGERLIPFHEMKHTVNALLEKGLSHSRGKPDFMQIQFEEVHESIKTIQPLPVHTNEVSCPEEGQKLARLLLEKEGVSRDVIEKAYEQIPEWSDVRGAVLFDIHTGKRMDQTKEKGVRVSRMDWPDANFEKWALHSHVPAHSRIKEALALASKVSRHPAVVAELCWSDDPDYITGYVAGKKMGYQRITAMKEYGTEEGCRVFFIDGSNDVNTYIHDLEKQPILIEWEEDHDS 5BVL Chain:A ((1-184)) -DKDEAWKCVEQLRREGT-------------------------------------------QIAYRSDDWRDLKEAWADILIVDAT-DKDEAWKQVEQLRREGATQIAYRSDDWRDLKEAWKKGA------DILIVDATDKDEAWKQVEQLRREGATQIAYRSD--------------------DWRDLKEAWKKGADILIVDATDKDEAWKQVEQLRREGAT---QIAYRSDDWRDLKEAWKKG-----ADILICDAT

General information: TITO was launched using: RESULT: Template: 5BVL.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 : 1038 -24168 -23.28 -134.27 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -23.28 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.073

(partial model without unconserved sides chains): PDB file : Tito_5BVL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5BVL-query.scw PDB file : Tito_Scwrl_5BVL.pdb: