Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSHFKNYQISHDILRALEGLGYTEPTKVQQSVIPAALERKDLVVKSQTGSGKTASFGIPLCELANWD------------------ENKPQALILTPTRELAVQVKEDITNIGRFKRIKATAVFGKSSFDKQKAELKQKSHIVVGTPGRVLDHIEKGTLPLDRLSYLVIDEADEMLNMGFIEQVEAIIKHL----PTERTTMLFSATLPQDIEKLSRQYMQNPEHIEVKAAGLTTRNIEHAVIQVREENKFSLLKDVLMT-ENPDSCIIFCRTKEHVNQLTDELDDLGYPCDKIHGGMIQEDRFDVMNEFKRGEYRYLVATDVAARGIDIENISLVINYDLPLEKESYVHRTGRTGRAGNKGKAISFVTAFEKRFLADIEEYIGFEIQKIEAPSQEEVARKKPEFLAKLNDRPESKKDKSEELNKDIMKLYFNGGKKKKIRAVDFVGTIAKIDGVSADDIGIITIMDNASYVEILNGKGPHVLKVMKNTTVKGKQLKVNKANK 2I4I Chain:A ((15-391)) -ESFSDVEMGEIIMGNIELTRYTRPTPVQKHAIPIIKEKRDLMACAQTGSGKTAAFLLPILSQIYSDGPGEALRAMKENGRYGRRKQYPISLVLAPTRELAVQIYEEARKFSYRSRVRPCVVYGGADIGQQIRDLERGCHLLVATPGRLVDMMERGKIGLDFCKYLVLDEADRMLDMGFEPQIRRIVEQDTMPPKGVRHTMMFSATFPKEIQMLARDFLDEYIFLAVG----TSENITQKVVWVEESDKRSFLLDLLNATGKDSLTLVFVETKKGADSLEDFLYHEGYACTSIHGDRSQRDREEALHQFRSGKSPILVATAVAARGLDISNVKHVINFDLPSDIEEYVHRIGRTGR--NLGLATSFFNERNINITKDL----------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2I4I.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 : 1713 21836 12.75 62.75 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : 12.75 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.634

(partial model without unconserved sides chains): PDB file : Tito_2I4I.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2I4I-query.scw PDB file : Tito_Scwrl_2I4I.pdb: