Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTPAIRRTVTFPEISMERLKSILGAYNGHLKQIEQRLDVKITHRGDVFYIDGEIDAVGRAEALLQRLYEETEASQQISADLLHLLIQSSQTERNFELVGEEMDEHDAPMDVYFQTRKGRINPRGANQKRYVQRILQSDISFGVGPAGTGKTYLAVAAAVDMLER--NEIQRILLVRPAVEAGEKLGFLPGDLTQKID----------PYLRPLYDALYEMLGFEKVAKLIERQVIEVAPLAYMRGRTLNHSFVILDEAQNTTPEQMKMFLTRLGFGSRAVITGDITQVDLPRGQQSGLAHALRVLENIKEIHITRFHSRDVVRHQLVQKIVEAYEAWDGEQQRLNAEARAERKARQEALIAENDTAADLQHQDA 1W36 Chain:D ((149-361)) -------------------------------------------------------------------------------------------------------------------------DEINWQKVAAAVALTRRISVISGGPGTGKTTTVAKLLAALIQMADGERCRIRLAAPTGKAAARLTESLGKALRQLPLTDEQKKRIPEDASTLHRLL-------------------------HAGNPLHLDVLVVDEASMIDLPMMSRLIDALPDHARVIFLGDRDQ--LASVE--------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1W36.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 543 -14493 -26.69 -108.15 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain D : 0.61 3D Compatibility (PKB) : -26.69 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.441

(partial model without unconserved sides chains): PDB file : Tito_1W36.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1W36-query.scw PDB file : Tito_Scwrl_1W36.pdb: