Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MCNVQLKNRLKELRARDGLNQTDLAKLAGVSRQTISLLERDEYTPSIIIALKISQIFNETVESVFRLEEDE 2XI8 Chain:B ((4-66)) -------NNLKLIREKKKISQSELAALLEVSRQTINGIEKNKYNPSLQLALKIAYYLNTPLEDIFQWQPE-

General information: TITO was launched using: RESULT: Template: 2XI8.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 198 -21403 -108.10 -339.73 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain B : 0.82 3D Compatibility (PKB) : -108.10 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.812

(partial model without unconserved sides chains): PDB file : Tito_2XI8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2XI8-query.scw PDB file : Tito_Scwrl_2XI8.pdb: