Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEKIIKEKISSLLS-QEE----EVLSVEQLGGMTNQNYLAKTTN----KQYIVKFFGKGTEKLINRQDEKYNLELLKDLGLDVKNYLFDIEAGIKVNEYIESAITLDSTSI--KTKFDKITPILQTIHTSAKELRGE---F----APFEEIKKYESLIEEQIP----YANY--ESVRNAVFSLEKR----------------LADLGVDRKSCHIDLVPENFIESPQGRLYLIDWEYSSMNDPMWDLAALFLESEFT------------------SQEEETFLSHYESDQTP-----------VSHEKIAIYKILQDTIWSLWTVYKEEQ--GEDFGDYGVNRYQRAVKGLASYGGSDEK 3MES Chain:B ((54-410)) ----IIGICRKNIPGWKEINESYIEVKQIFSGLTNQLFVVSIVNELKHPRILFRIYGKHV--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 : 1014 6208 6.12 22.99 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain B : 0.67 3D Compatibility (PKB) : 6.12 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.402

(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: