Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MCNVQLKNRLKELRARDGLNQTDLAKLAGVSRQTISLLERDEYTPSIIIALKISQIFNETVESVFRLEEDE 2XJ3 Chain:B ((4-65)) -------NNLKLIREKKKISQSELAALLEVSRQTINGIEKNKYNPSLQLALKIAYYLNCPLEDIFQWQP--

General information: TITO was launched using: RESULT: Template: 2XJ3.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 : 196 -23358 -119.17 -376.73 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain B : 0.82 3D Compatibility (PKB) : -119.17 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.866

(partial model without unconserved sides chains): PDB file : Tito_2XJ3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2XJ3-query.scw PDB file : Tito_Scwrl_2XJ3.pdb: