Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEKIIKEKISSLLSQEEEVLSVEQLGGMTNQNYLAKTTN----KQYIVKFFGKGTEKLINRQDEKYNLELLKDLGLDVKNYLFDIEAGIKVNEYIESAITLDSTSI--KTKFDKIAPILQTIHTSAKELRGE---FA----PFEEIKKYESLIEEQI----PYAN--YESVRNAVFSLEKR----------------LADLGVDRKSCHIDLVPENFIESPQGRLYLIDWEYSSMNDPMWDLAALFLESEFT------------------SQEEETFLSHYESDQT-------P----VSHEKIAIYKILQDTIWSLWTVYKEEQ--GEDFGDYGVNRYQRAVKGLASYGGSDEK 3MES Chain:B ((74-410)) -------------------EVKQIFSGLTNQLFVVSIVNELKHPRILFRIYGKHV--FYDSKVELDVFRYLSNINIAPNIIADF--PEGRIEEFIDGE-PLTTKQLQLTHICVEVAKNMGSLHIINSKRADFPSRFDKEPILFKRIYLWREEAKIQVSKNNQIDKELYSKILEEIDQLEELIMGGEKFSMERALELKLYSPAFSLVFAHNDLQENNLLQTQ-NNIRMIDYEYSAINFAGADIANYFCEYIYDYCSEKQPYFKFKYEDYPCEELRKLFISVYLSQTLQEQVMPSQQIVHIMTKAVEVFTLISHITWGLWSIA----SVEFDFTEYANTRFTHYLQKKKELI-----

General information: TITO was launched using: RESULT: Template: 3MES.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 935 -7409 -7.92 -29.05 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain B : 0.68 3D Compatibility (PKB) : -7.92 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.432

(partial model without unconserved sides chains): PDB file : Tito_3MES.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3MES-query.scw PDB file : Tito_Scwrl_3MES.pdb: