Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTMPQANIIPNDWWRWSDS--QPVIIKPLLGGLTNLNYLISVNH----ELFVLRKNSAISEALNLNRSAEAKALSRADEAGLCAPLIYYDDQHQYMVSRYLGDKTWSVSI--D-HNLSLLAELLRGIHQLPGIDAD----LN----VENKISCYWQAIDAQA-----AFT---RELISLDSAVGAHI---------T----SAKALNNGHVLCHNDLLASNLIISNKDKLYAIDWEYAAMSDPFYELAVIIEGNALN------------------AKQQQSLLTRYLR-QPIS---------ALDWQRLYHWQIIYGYLCVLWYAVQYSNG-AMPNIVSEIHRQILAIKALAAKDA 3MES Chain:B ((58-401)) --------CRKNIPGWKEINESYIEVKQIFSGLTNQLFVVSIVNELKHPRILFRIYGKH-V--FYDSKVELDVFRYLSNINIAPNIIADFPE--GRIEEFIDGEPLTTKQLQLTHICVEVAKNMGSLHIINSKRADFPSRFDKEPILFKRIYLWREEAKIQVSKNNQIDKELYSKILEEIDQLEELIMGGEKFSMERALELKLYSPAFSLVFAHNDLQENNLLQTQ-NNIRMIDYEYSAINFAGADIANYFCEYIYDYCSEKQPYFKFKYEDYPCEELRKLFISVYLSQTLQEQVMPSQQIVHIMTKAVEVFTLISHITWGLWSIA-----SVEFDFTEYANTRFTH---------

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 : 960 -47364 -49.34 -181.47 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain B : 0.63 3D Compatibility (PKB) : -49.34 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.387

(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: