Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKIAFLFPGQGSQFIGMGKELYEQVPAAKRLFDEADETLETKLSSLIFEGDAEELTLTYNAQPALLTTSIAVLEKFKESGITPD---FTAGHSLGEYSALVAAGALSFKDAVYTVRKRGEFMNEAVPAGEGAMAAILGMD-AEALKQVTDKVTEEGNLVQLANLNCPGQIVISGTAKGVELASELAKENGAK-RAIPLEVSGPFHSELMKPAAEKLKEVLDACDIKDADVPVISNVSADVMTEKADIKEKLIEQLYSPVRFEESINKLIAEGVTTFIEIGPGKVLSGLVKKVNRRLKTIAVSDPETIELAIQTLKEENDNA 2QC3 Chain:A ((3-298)) ---IALLAPGQGSQTEGMLSP-WLQLPGAADQIAAWSKAADLDLARLGTTASTEEITDTAVAQPLIVAATLLAHQELARRCVLAGKDVIVAGHSVGEIAAYAIAGVIAADDAVALAATRGAEMAKACATEPTGMSAVLGGDETEVLSRL-----EQLDLVP-ANRNAAGQIVAAGRLTALE---KLAEDPPAKARVRALGVAGAFHTEFMAPALDGFAAAAANIATADPTATLLSNRDGKPVTSAAAAMDTLVSQLTQPVRWDLCTATLREHTVTAIVEFPPAGTLSGIAKRELRGVPARAVKSPADLD-------------

General information: TITO was launched using: RESULT: Template: 2QC3.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 : 1794 -166025 -92.54 -570.53 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -92.54 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.514

(partial model without unconserved sides chains): PDB file : Tito_2QC3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2QC3-query.scw PDB file : Tito_Scwrl_2QC3.pdb: