Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGKIIAITNQKGGVGKTTTSVNLGACLAYIGKRVLLVDIDPQ-GNATSGLGIEKADVEQCVYDILVDDADVIDIIKA-TTVENLDVIPATIQLAGAEIELVPTISREVRLKRALEAVK-QNYDYIIIDCPPSLGLLTINALTASDSVVIPVQCEYYALEGLSQLLNTVRLVQKH--LNTDLMIEGVLLTMLDARTNLG--IQVIEEVKKYFRDKVYKTVIPRNVRLSEAPSHGKPIILYDPRSRGAEVYLDLAKEVAANG 3Q9L Chain:A ((2-249)) -ARIIVVTSGKGGVGKTTSSAAIATGLAQKGKKTVVIDFAIGLRNLDLIMGCERRV-VYDFVNVIQGDATLNQALIKDKRTENLYILPASQTRDKD--AL-T----REGVAKVLDDLKAMDFEFIVCDSPAGIETGALMALYFADEAIITTNPEVSSVRDSDRILGILASKSRRAENGEEPIKEHLLLTRYNPGRVSRGDMLSMEDVLEILRIKL-VGVIPEDQSVLRASNQGEPVILD-INADAGKAYADTVERLLGE-

General information: TITO was launched using: RESULT: Template: 3Q9L.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 : 1423 -10055 -7.07 -41.72 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -7.07 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.420

(partial model without unconserved sides chains): PDB file : Tito_3Q9L.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3Q9L-query.scw PDB file : Tito_Scwrl_3Q9L.pdb: