Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKTRESSVGLKFRKFNRFYTNVLGFLNEHIYDSPFSLTETRILFEIYNTPNCTAKALQDKLGLDRGYVSRIVKQFEKEDLIYKQRSKDDARHHYIFVTETGKTIYKKLEEKANEQVELMLKVINQKEQHKLAEAMAEIEAILSQSLSARASEISIRDYFLSEDLQLLIEKQRQFYAEAHGWDDTFLAYLQETFDADIEKIWIAESGGKFAGSVGLVKHDEKTVQLRWFLVDADFRGRGLGTQLLEHLVAYCQDMKFDRIFLWTVSTMAEARPLYKKFGFRISEVKQEAPLWGQQLTEERWDLELS 3BJ6 Chain:A ((45-121)) -----------------------------------------ILEGLSLTPGATAPQLGAALQMKRQYISRILQEVQRAGLIERRTNPEHARSHRYWLTPRGEAIITAI--RADEMAKLAL-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3BJ6.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 : 235 -40915 -174.10 -531.36 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -174.10 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.651

(partial model without unconserved sides chains): PDB file : Tito_3BJ6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3BJ6-query.scw PDB file : Tito_Scwrl_3BJ6.pdb: