Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDRNIDQELVSIIIPTHNR---YESLIRAVKSCLHQSYKNIEVIIIDDNYSNVNLRNKIIHQFGYTNHRIKLILSNEDLGATNARNIGIKNSRGKYISFLDDDDEYMPDRILKLMACFKKSRMKNLALVYSYGIIIYPNGTREEEKTDFVGNPLFVQMVHNIAGTSFWLCKKEVLELINGFEKIDSHQDGVVLLKLLAQGYQIDIVREFLVNYYAHSKENGITGVTQKTINADEEYYNYCRKYFNLLSFNERILV--TKKYYSLNIKRLLLIGDKCKALKVIKKAREEKIFNEFLFLKYMLLYNFSFFYCIYDNYVQLKFRK 5EKE Chain:A ((20-336)) -FQSNATIELSIVIPMYNEEDNLEHLFARLLEVLTPLKITYEIICVNDGSKDKTLKQ--LIDCYQSNRQIKIVNLSRNFGKEIALSAGIDYAQGNAVIPIDADLQDPPELIHELVDKWREG--YDIVYATRRS----RQGMTEIKIPPNTGD--------------FRLMDRKVVNAIKQLPERTRFMKGLFAWVGYRQTFVLFDRNYWKLWNAALDGIFSFSLLPLKVWTYLGSIISLLSLAYASFLILKTITLGDVPGYASLMVAILFLGGVQLISLGVIGEYLGRVYEEVKARPLYLVSDLWGL-----------EYLP

General information: TITO was launched using: RESULT: Template: 5EKE.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 : 1085 -20750 -19.12 -73.32 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -19.12 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.320

(partial model without unconserved sides chains): PDB file : Tito_5EKE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5EKE-query.scw PDB file : Tito_Scwrl_5EKE.pdb: