Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSKVSGFQDKNGKVLKIMIEWWKEKFRRVVVTQNVESLLVSIVISAYNEEKYLPGLIEDLKNQTYP-KEDIEILFINAMSTDGTTAIIQQFIKEDTEFNSIRLYNNPKKNQASGFNLGVKHSVGDLILKIDAHSKVTESFVMNNVAIIQQGEFVCGGPRPTIVEGKGKWAETLHLVEENMFGSSIANYRNSSEDRYVSSIFHGMYKREVFQKVGLVNEQLGRTEDNDIHYRIREHGYKIRYSPSILSYQYIRPTFKKMLHQKYSNGLWIGLTSHVQFKCLSLFHYVPCLFVLSLVFSLALLPI---TFV--FITLLLGAY--FLLLSLLTLLTLLKHKNGFLIVMPFLLFSIHFAYGLGTIVGLIRGFKWKKEYKGTIIYLDKISQINKNML 5EKP Chain:C ((21-296)) ---------------------------------QSNATIELSIVIPMYNEEDNLEHLFARLLEVLTPLKITYEIICVNDGSKDKTLKQLIDCYQSNRQIKIVNLSRNFGKEIA--LSAGIDYAQGNAVIPIDADLQ---------------------DPPELIHELVDKWREGYDIV----YATRRSRQGETWVKQFTAKMFYKVIGRMTEIKIP-PNTGDFRLMDRKVVNAIKQLPERTRFMKGLFAWVGYRQTFVLFDR-----------------NYWKLWN-----FALDGIFSFSLLPLKVWTYLGSIISLLSLAYASFLILKTITL-VDVPGYASLMVAILFL--------------------------------------------

General information: TITO was launched using: RESULT: Template: 5EKP.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 996 -37811 -37.96 -147.12 target 2D structure prediction score : 0.45 Monomeric hydrophicity matching model chain C : 0.63 3D Compatibility (PKB) : -37.96 2D Compatibility (Sec. Struct. Predict.) : 0.45 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.331

(partial model without unconserved sides chains): PDB file : Tito_5EKP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5EKP-query.scw PDB file : Tito_Scwrl_5EKP.pdb: