Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSATTDRTQRPLLSKSKKLNSLHSKSSPALNFDESHSLSIKRRKVNTRDPAVYFVTIGS----KRMLLRIYGIGCEQILDRDKELDWLSRLSRLNIGPSLLGTFDNGRFEEYLESTTLTWHDLRDPFISAQIASRLNQLHSIVDTFPPAE---NEPLEVWQNIDKWYRSLESEVLSTLKKNPVWAKMIEQSLDLSQLHKDIETCKSI----------------LNTLSTPTVFAHNDTQYGNILKIENTDELVVIDFEYAGYNPRGYDIANHFCEWMYDYHSS-EP-AKMNHKSYPTHKEQVRFLTAYDKHHV-----------TELLREVELWKMACHLFWGLWGLVQASQSEIDFDYFGYSLERLSVFKQELDAKATQIA 3MES Chain:A ((51-411)) ------------TEIIIGICRKNIPGWKEI---NESYIEVKQ-IFSGLTNQLFVVSIVNELKHPRILFRIYGKHV-KFYDSKVELDVFRYLSNINIAPNIIADFPEGRIEEFIDGEPLTTKQLQLTHICVEVAKNMGSLHIINSKRADFPSRFDKEPILFKRIYLWREEAKIQVSKNN--IDK--------ELYSKILEEIDQLEELIMGGEKFSMERALELKLYSPAFSLVFAHNDLQENNLLQTQ--NNIRMIDYEYSAINFAGADIANYFCEYIYDYCSEKQPYFKFKYEDYPCEELRKLFISVYLSQTLQEQVMPSQQIVHIMTKAVEVFTLISHITWGLWSIA------VEFDFTEYANTRFTHYLQKKKELID---

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 : 1314 -29953 -22.80 -97.25 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -22.80 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.397

(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: