Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNLKALPAIEGDHNLKNYEETYRHFDWAEAEKHFSWHETGKLNAAYEAIDRHAESFRKNKVALYYKDAKRDEK-YTFKEMKEESNRAGNVLRRYGNVEKGDRVFIFMPRSPELYFIMLGAIKIGAIAGPLFEAFMEGAVKDRLENSEAKVVVTTPE-------LLERIPVD----KLPHLQHVFVVGGEAESGTNIIN-------YDEAAKQESTRLDIEWMDKKDGFLLHYTSGSTGTPKGVLHVHEA-MIQQYQTGKWVLDLKEEDIYWCTADPGWVTGTVYGIFAPWLNGATNVIVGGRF---SPESWYGTIEQLGVNVWYSAPTAFRMLMGAGDEMAAKYDLTSLRHVLSVGEPLNPEVIRWGHKVFNKR---IHDTWWMTETGSQLICNYP-CMDIKPGSMGKPIPGVEAAIVDNQ------GNELPPYRMGNLAIKKGWPSMMHTIWNNPEKY-ESYFMP-GGWYVSGDSAYMDEEGYFWFQGRVDDVIMTSGERVGPFEVESKLVEHPAIAEAGVIGKPDPVRGEIIKAFIALREGFEPSDKLKEEIRLFVKQGLAAHAAPREIEFKDKLPKTRSGKIMRRVLKAWELNLPAGDLSTMED 5IFI Chain:C ((110-643)) -----------------------------------WFPEGTLNAAYNCLDRHYYKNPKKTAIIYEADEPSESREVSYEELMQETCRVANVLKSYG-VKKGDAVSIYLPMTWQAAAAFLACARIGAIHSAVFAGFSAESLRDRVNDCECKVLITTDEGRRGGKTIATKQIVDAALQQCPLVENVLVL---RRTGNKVPMTEGRDKWWDEECAKMPAYCPCERMASEDPLFILYTS----KPKGVVHSTAGYLLGTALTLKYVFDAHPDDRFACMADIGWITGHSYIIYGPLANGITTAVFESTPVYPTPSRYWDFVDKWKATQLYTAPTAIRLLRRMGEDHVKNHDLSSLRVLGSVGEPINPEAWHWYNDFAGKNQCAIVDTYWMTETGSISIAPLPGAISTKPGSATFPFFGMDVDIIDPQTGQVLEGNDVE----GVLVARRPWPSIARTVYRDHKRYLETYMKPYPGYFFFGDGAARDYDGYMWIKGRVD--INVSGHRLSTAEVESALILHKGVAETAVVGCA-------VYAFVTMKP-------LSKELAIQVRKVIGPFAAPKKIYL----------------------------------

General information: TITO was launched using: RESULT: Template: 5IFI.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 2916 -31281 -10.73 -65.85 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain C : 0.76 3D Compatibility (PKB) : -10.73 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.534

(partial model without unconserved sides chains): PDB file : Tito_5IFI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5IFI-query.scw PDB file : Tito_Scwrl_5IFI.pdb: