Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMKKVPEFVVQFSPESFSLTPVPGGLSNHNYRLQFQQHGLNNRYFVRQFSATYLGMDNDVELEYAAQIQAANIGLAPNVIVKHKQGMICDWVTGEHWDQTAQVRDENIEKLAQLVAMLHQQPMPSHHL----D----MVERLQHYYQTLNTE-----F-K---TVQLAQQLTLVIDLIE-------------QH-LPANRLGFCHHDMNPLNFIEDEQAKLYLLDWEFAAAGHCDFDIATLFQTFEW------------------QDAQQALFIRYYNQYYPAA---------KVTFEQLDVMAVVVEMMTLLWCIVMYQQDKDATYLRLWQQSEYAITDKINRLSKELQWDQ 3MES Chain:B ((73-411)) ----------------IEVKQIFSGLTNQLFVVSIVNELKHPRILFRIYGKHV---FYDSKVELDVFRYLSNINIAPNIIADFPEGRIEEFIDGEPLTTKQLQLTHICVEVAKNMGSLHIINSKRADFPSRFDKEPILFKRIYLWREEAKIQVSKNNQIDKELYSKILEEIDQLEELIMGGEKFSMERALELKLYSPAFSLVFAHNDLQENNLLQTQ-NNIRMIDYEYSAINFAGADIANYFCEYIYDYCSEKQPYFKFKYEDYPCEELRKLFISVYLSQTLQEQVMPSQQIVHIMTKAVEVFTLISHITWGLWSIA----SVEFDFTEYANTRFTHYLQKKKELID------

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 : 997 -54222 -54.38 -204.61 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain B : 0.66 3D Compatibility (PKB) : -54.38 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.377

(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: