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:A ((74-410)) -------------------EVKQIFSGLTNQLFVVSIVNELKHPRILFRIYGKHV-KFYDSKVELDVFRYLSNINIAPNIIADF--PEGRIEEFIDGE-PLTTKQLQLTHICVEVAKNMGSLHIINSKRADFPSRFDKEPILFKRIYLWREEAKIQVSKNN-IDKELYSKILEEIDQLEELIMGGEKFSMERALELKLYSPAFSLVFAHNDLQENNLLQTQ-NNIRMIDYEYSAINFAGADIANYFCEYIYDYCSEKQPYFKFKYEDYPCEELRKLFISVYLSQTLQEQVMPSQQIVHIMTKAVEVFTLISHITWGLWSIA----VEFDFTEYANTRFTHYLQKKKELI-----

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 A - contact count / total energy / energy per contact / energy per residue : 938 -4835 -5.15 -18.96 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -5.15 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.405

(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: