Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----MSAVTESVLESIISPVTMSEFLEEYWPVKPLVARGEVERFTS-IPGFEKVRTLENVLAIYNNPVMVVGDAVIEESEGITDRFLVSPAEALEWYEKGAALEFDFTDLFIPQVRRWIEKLKAELRLPAGTSSKAIVYAAKNGGGFKAHFDAYTNLIFQIQGEKTWKLAKNENVSNPMQHYDLSEAPYYPDDLQSYWKGDPPKEDLPDAEIVNLTPGTMLYLPRGLWHST---KSDQATLALNITFG----QPAWLDLMLAALRKKLISDNRFRELAVNHQSLHESSKSELNGYLESLIQTLSENAETLTPEQIFQSQDSDFD------------PYQSTQLVFRQLLTSYKF------------------------------------------------------------------------- 2XDV Chain:A ((7-442)) PSALNFDSPSSLFESLISPIKTETFFKEFWEQKPLLIQRDDPALATYYGSLFKLTDLKSLC--------------------------------KDFDQKRATIQFHQPQRFKDELWRIQEKLECYFGSLV---GSNVYITPAGSQGLPPHYDDVEVFILQLEGEKHWRLYHP------------------TVPLAREYSVEAEERIGRPVHEFMLKPGDLLYFPRGTIHQADTPAGLAHSTHVTISTYQNNSWGDFLLDTISGLVFDTAKEDVELRTGIPRQLLLQESTTVATRRLSGFLRTLADRLEGTKELLSSDMKKDFIMHRLPPYSAKLPRLDSVVRLQFKDHIVLTVLPEKMVYIYHSLKNSRETHMMGNHGLRFPLSHLDALKQIWNSPAISVKDLKLTTDEEKESLVLSLWTECLIQVV

General information: TITO was launched using: RESULT: Template: 2XDV.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 : 1206 30328 25.15 109.49 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 25.15 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.420

(partial model without unconserved sides chains): PDB file : Tito_2XDV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2XDV-query.scw PDB file : Tito_Scwrl_2XDV.pdb: