Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTNRDIVWHEASITKEEYQQKNKHKSSILWLTGLSGSGKSTIANAAARELFEQGYQVIVLDGDNIRHGLNRDLGFSDEDRKENIRRIGEVAKLFVQQGTIVITAFISPFREDRQQVRELVEAGEFNEVYIKCDLDICEQRDPKGLYKKARNGEIPFFTGIDSPYEEPEAPELVLDSG-QHDREACKNQLIEFVKQKLS 3UIE Chain:A ((10-195)) ----------CSVEKVDRQRLLDQKGCVIWVTGLSGSGKSTLACALNQMLYQKGKLCYILDGDNVRHGLNRDLSFKAEDRAENIRRVGEVAKLFADAGIICIASLISPYRTDRDACRSLLPEGDFVEVFMDVPLSVCEARDPKGLYKLARAGKIKGFTGIDDPYEPPLNCEISLGREGGTSPIEMAEKVVGYLDNK--

General information: TITO was launched using: RESULT: Template: 3UIE.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 : 908 -82605 -90.97 -446.51 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -90.97 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.662

(partial model without unconserved sides chains): PDB file : Tito_3UIE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3UIE-query.scw PDB file : Tito_Scwrl_3UIE.pdb: