Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLQNLDSLYQSLSKTEERLEEIIQQEIKLKDYQVEVDSAMSRMNKSYQNLYSERSSSSREIFSDITGIEATIQPNRDFNNYVKELRACINKEDTFDSEFGSLIDKLTKNSITNQDIYNDILDIRVSGESSIFSDKKLINSIRKLNDAQVLELQTLKPNDLVVIRLELNGKKVSLSNASAGQKTSAILSMILAYGNSPLILDQPEDDLDSQLINNLIVRSI--------ITKKENRQILIVTHNANIPVNGDSEWLISMGDSKEISADQCGS---VDEPNIKPRICTVMEGGEDAFTNRAKRYGFKQIVE-- 2PJZ Chain:A ((1-261)) -MIQLKNVGITLSGKGYERFSLENINLEVNGEKVIILGPNGSGKTTLLRAISGLLPYSGNIFINGMEVRKIRNYIRYSTNLPEAYEI----------------------------------------GVTVNDIVYLYEELKGLDRDLFLEMLKA-------LKLGEEILRRKLYKLSAGQSVLVRTSLALASQPEIVGLDEPFENVDAARRHVISRYIKEYGKEGILVTHELDMLNLYKEYKAYFLVGNRLQGPISVSELLESSIVEGERNDALLVLDIMDKKVSIVKGDLGMKFGALGS--LNRIYGII

General information: TITO was launched using: RESULT: Template: 2PJZ.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 : 1284 -34935 -27.21 -140.86 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -27.21 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.203

(partial model without unconserved sides chains): PDB file : Tito_2PJZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2PJZ-query.scw PDB file : Tito_Scwrl_2PJZ.pdb: