Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNDAQGSLVHELK-SLPCWPA---PVQAIRPL-TGLSGGSLLIELCDG---RRYVARSQNAQLQMQAVSRERERQVLCAIGEQVARSDFLPQVLFYNARWLVVSWLEGSPWPHTLADDACAQRHLVTLMRRFHPVDSE-LQL----D----IPSRLQFYRQQLSAEK------Q---PEALF----SLCARFA------------SLRSPCWWFPVLAHHDIHPGNVVSDGATLALIDWEYAARSPLACELILLFEANGFN------------------RAQRQQFCRYYAEAIYSTETVYAADSKCVGSSAAA-LEDWLHRLQQDIASWQPWCEMLMAMWSAIRFEQTDDVQYAVWRDNYLKAAEQSLGKRE 3MES Chain:B ((52-406)) -----EIIIGICRKNIPGWKEINESYIEVKQIFSGLTNQLFVVSIVNELKHPRILFRIYGKHV---FYDSKVELDVFRYL----SNINIAPNIIADFPEGRIEEFIDGEPLTTKQLQLTHICVEVAKNMGSLHIINSKRADFPSRFDKEPILFKRIYLWREEAKIQVSKNNQIDKELYSKILEEIDQLEELIMGGEKFSMERALELKLYSPAFSLVFAHNDLQENNLLQTQNNIRMIDYEYSAINFAGADIANYFCEYIYDYCSEKQPYFKFKYEDYPCEELRKLFISVYLSQTL------Q-------EQVMPSQQI-VHIMTKAVEVFTLISHITWGLWSIA----SVEFDFTEYANTRFTHYLQKK----

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 : 1067 -28923 -27.11 -104.04 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain B : 0.68 3D Compatibility (PKB) : -27.11 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.372

(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: