Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTPAIRRTVTFPEISMERLKSILGAYNGHLKQIEQRLDVKITHRGDVFYIDGEIDAVGRAEALLQRLYEETEASQQISADLLHLLIQSSQTERNFELVGEEMDEHDAPMDVYFQTRKGRINPRGANQKRYVQRILQSDISFGVGPAGTGKTYLAVAAAVDMLERNEIQRILLVRPAVEAGEKLGFLPGDLTQKIDPYLRPLYDALYEMLGFEKVAKLIERQVIEVAPLAYMRGRTLNHSFVILDEAQNTTPEQMKMFLTRLGFGSRAVITGDITQVDLPRGQQSGLAHALRVLENIKEIHITRFHSRDVVRHQLVQKIVEAYEAWDGEQQRLNAEARAERKARQEALIAENDTAADLQHQDA 2XZL Chain:A ((358-422)) -----------------------------------------------------------------------------------------------------------------------FAQLNSSQSNAVSHVLQRPLSLIQGPPGTGKTVTSATIVYHLSKI-HKDRILVCAPSNVAVDHLAA---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2XZL.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 : 133 -13040 -98.05 -200.62 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -98.05 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.547

(partial model without unconserved sides chains): PDB file : Tito_2XZL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2XZL-query.scw PDB file : Tito_Scwrl_2XZL.pdb: