Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTPAIRRTVTFPEISMERLKSILGAYNGHLKQIEQRLDVKITHRGDVFYIDGEIDAVGRAEALLQRLYEETEASQQISADLLHLLIQSSQTERNFELVGEEMDEHDAPMDVYFQTRKGRINPRGANQKRYVQRILQSDISFGVGPAGTGKTYLAVAAAVDMLER--NEIQRILLVRPAVEAGEKLGFLPGDLTQKIDPYLRPLYDALYEMLGFEKVAKLIERQVIEVAPLAYMRGRTLNHSFVILDEAQNTTPEQMKMFLTRLGFGSRAVITGDITQVDLPRGQQSGLAHALRVLENIKEIHITRFHSRDVVRHQLVQKIVEAYEAWDGEQQRLNAEARAERKARQEALIAENDTAADLQHQDA 5LD2 Chain:D ((150-306)) -------------------------------------------------------------------------------------------------------------------------DEINWQKVAAAVALTRRISVISGGPGTGKTTTVAKLLAALIQMADGERCRIRLAAPTGKAAARLTESLGKALRQLP---LTDEQKKRIPEDASTLHRLLGAQPGS-QRLRHHAGNPLHLDVLVVDEASMIDLPMMSRLIDALPDHARVIFLGDRDQ--LASVE--------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5LD2.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 : 652 -1915 -2.94 -12.35 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain D : 0.61 3D Compatibility (PKB) : -2.94 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.383

(partial model without unconserved sides chains): PDB file : Tito_5LD2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5LD2-query.scw PDB file : Tito_Scwrl_5LD2.pdb: