Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSKVSGFQDKNGKVLKIMIEWWKEKFRRVVVTQNVESLLVSIVISAYNEEKYLPGLIEDLKNQTYPKE-DIEILFINAMSTDGTTAIIQQFIKEDTEFNSIRLYNNPKKNQASGFNLGVKHSVGDLILKIDAHSKVTESFVMNNVAIIQQGEFVCGGPRPTIVEGKGKWAETLHLVEENMFGSSIANYRNSSEDRYVSSIFHGMYKREVFQKVGLVNEQLGRTEDNDIHYRIREHGYKIRYSPSILSYQYIRPTFKKMLHQKYSNGLWIGLTSHVQFKCLSLFHYVPCLFVLSLVFSLALLPITFVFITLLLGAYFLLLSLLTLLTLLKHKNGFLIVMPFLLFSIHFAYGLGTIVGLIRGFKWKKEYKGTIIYLDKISQINKNML 5EKE Chain:A ((20-336)) --------------------------------FQSNATIELSIVIPMYNEEDNLEHLFARLLEVLTPLKITYEIICVNDGSKDKTLKQLIDCYQSNRQIKIVNLSRNF--GKEIALSAGIDYAQGNAVIPIDADLQDPPELIHELVDKWREGYDIVYATR------RSRQGMTEIKIPPNTGDFRLMD-------RKVVNAIKQLPERTRFMK--------------GLFAWVGYRQTFVLFDRN----YWKLWNAALDGIFSFSL--------------------------------LPLKVWTYLGSIISLLSLAYASFLILKTITLGDVPGYASLMVAILFLGGVQLISLGVIGEYLGRVYEEVKARPLYLVSDLWGLEYLP-

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 : 1108 -48787 -44.03 -169.99 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -44.03 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.281

(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: