Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPEAQDVAARVAGRLASKRGTPVSVVSARQLPAGASRATYAVDLVDADGRIEQVIVRAVPSAADDGGLADEAKVLRAAAD-AGVPVPRILDAAFGGADNPLGFPYLAMEFIAGESIPRRILRDGAHATARERFVEQCGRILARVHQIDAVEAPGL--T--ELTDPVEGLRQLFPREF----DAMPAGLVLAVRWLRDNPPAPSPKTCVVHGDFRLGNLLIDA-EGVAAVLDWELVHIGDPIEDLGWLCAKAWRFGGAAPVAGMGERAALLDAYAEIAGWRPDEETLRWWELYATVKWGLICAVQANRHLDGVERSVELAAIGRRSAEQEFDALLDLGLVSPEMVEDPLAAGVAAPDEAPHGEPSSLELLEAVAGFLRSDSVTAEMSPQVRFHTRVAGNVVDVVRRQILLGPRQAAESAARLAALGVADQRALCDALWSGELDAADEKVRDAVVADVRARLLVANPRYFAVPHP 5IGI Chain:A ((6-259)) ----TADTSQLYALAAR-HGL-KLHGPLTVNELGLDYRIVIATVDD----GRRWVLRIPRRAEVSAKVEPEARVLAMLKNRLPFAVPDWRVANAELVAYPMLEDSTA-VIQPGSSTPDWV-----VPQDSEVFAESFATALAALHAVPISAAVDAGMLIRTPTQARQKVADDVDRVRREFVVNDK-RLHRWQRWLDDDSSWP-DFSVVVHGDLYVGHVLIDNTERVSGMIDWSEARVDDPAIDMAAHLMVFG----------EEGLAKLLLTYEAAGGRVW------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5IGI.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 : 1024 -40715 -39.76 -167.55 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -39.76 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.218

(partial model without unconserved sides chains): PDB file : Tito_5IGI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5igi-query.scw PDB file : Tito_Scwrl_5IGI.pdb: