Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSHFKNYQISHDILRALEGLGYTEPTKVQQSVIPAALERKDLVVKSQTGSGKTASFGIPLCELANWDENKPQALILTPTRELAVQVKEDITNIGRF-KRIKATAVFGKSSFDKQKAELKQKS-HIVVGTPGRVLDHIEKGTLPLDRLSYLVIDEADEML-NMGFIEQVEAIIKHLPTERTTMLFSATLPQDIEKLSRQYMQNPEHIEVK-AAGLTTRNIEHAVIQVREENKFSLLKDVLMTENPDSCIIFCRTKEHVNQLTDELDDLGYPCDKIHGGMIQEDRFDVMNEFKRGEYRYLVATDVAARGIDIENISLVINYDLPLEKESYVHRTGRTGRAGNKGKAISFVT-AFEKRFLADIEEYIGFEIQKIEAPSQEEVARKKPEFLAKLNDRPESKKDKSEELNKDIMKLYFNGGKKKKIRAVDFVGTIAKIDGVSADDIGIITIMDNASYVEILNGKGPHVLKVMKNTTVKGKQLKVNKANK 1XTI Chain:A ((9-384)) --GFRDFLLKPELLRAIVDCGFEHPSEVQHECIPQAILGMDVLCQAKSGMGKTAVFVLATLQQLEPVTGQVSVLVMCHTRELAFQISKEYERFSKYMPNVKVAVFFGGLSIKKDEEVLKKNCPHIVVGTPGRILALARNKSLNLKHIKHFILDECDKMLEQLDMRRDVQEIFRMTPHEKQVMMFSATLSKEIRPVCRKFMQDPMEIFVDDETKLTLHGLQQYYVKLKDNEKNRKLFDLLDVLEFNQVVIFVKSVQRCIALAQLLVEQNFPAIAIHRGMPQEERLSRYQQFKDFQRRILVATNLFGRGMDIERVNIAFNYDMPEDSDTYLHRVARAGRFGTKGLAITFVSDENDAKILNDVQDR--FEVNISELPDEIDIS--------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1XTI.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 : 1940 -28341 -14.61 -76.39 target 2D structure prediction score : 0.75 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -14.61 2D Compatibility (Sec. Struct. Predict.) : 0.75 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.514

(partial model without unconserved sides chains): PDB file : Tito_1XTI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1XTI-query.scw PDB file : Tito_Scwrl_1XTI.pdb: