Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTTQNLMCPVCRQRLELVSKTWRCEQGHSYDIAKQGYVNLHVVQHKHSKNPGDTPESVDARRAFLQGGYYQPLQQAVVHLLKDLQAKMVLDIGCGEGYYTSAMQQVVEQCIGVDIAKNAVQRAAKL-----NDKVTWVVGTGATLPVIDQSMDVCTSLFS-------PIPQTEILRVVKDDGYLIVVTSATDHLY---AMREAL---FE--QVNPHIPQKFVEQLQ-DLFELKEQQVIDAPLVLDQQALKNL-------IAMTPYAYKASPERRMQLEQ-----KAHLQVTASFQIYLFQKRNKKAI 1XXL Chain:A ((18-238)) ---------------------------------------------------------------------------------ECRAEHRVLDIGAGAGHTALAFSPYVQECIGVDATKEMVEVASSFAQEKGVENVRFQQGTAESLPFPDDSFDIITCRYAAHHFSDVRKAVREVARVLKQDGRFLLVDHYAPEDPVLDEFVNHLNRLRDPSHVRESSLSEWQAMFSANQLAYQDIQKWNLPIQYDS-WIKRGGTPADREKQIITHLNHASDEARDTFCITLNQNGQPISFCLKAILIQGIKRE----

General information: TITO was launched using: RESULT: Template: 1XXL.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 : 814 -29299 -35.99 -155.84 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -35.99 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.445

(partial model without unconserved sides chains): PDB file : Tito_1XXL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1XXL-query.scw PDB file : Tito_Scwrl_1XXL.pdb: