Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAPFSIKQADIQQQLTAAIQKHFPAVEI---ADIRFELV-GGLSSKSWRIRGPG----IEWLARRQSPTERKMGVDRQREFALLRRMSAIGLAPRPLLWRDDWLIVEWVPGRIATSDEFLMMLANGEVARVLSQLHRLPRSGHPL--------DIKMLFAQHWQLMDPHR------R---SPVL----LRAHHYFQ------------RAPLPTPLALAPLHLDVHAENLLITPQGTMLIDWEYASDGDIAFELAFIVRASQMD------------------SMAQRYFLQSYQRHRRGF-------SVNRLQQQMRQWFPWVDYLVLMWFEIRWQQT-KNPEFLADIPALYHRLQLGHRLQPD 3MES Chain:B ((50-403)) ----------DTEIIIGICRKNIPGWKEINESYIEVKQIFSGLTNQLFVVSIVNELKHPRILFRIYGKHV---FYDSKVELDVFRYLSNINIAPNIIADFPEGRIEEFIDGEPLTTKQLQLTHICVEVAKNMGSLHIINSKRADFPSRFDKEPILFKRIYLWREEAKIQVSKNNQIDKELYSKILEEIDQLEELIMGGEKFSMERALELKLYSPAFSLVFAHNDLQENNLLQTQNNIRMIDYEYSAINFAGADIANYFCEYIYDYCSEKQPYFKFKYEDYPCEELRKLFISVYLSQTLQEQVMPSQQIVHIMTKAVEVFTLISHITWGLWSIA-----SVEFDFTEYANTRFTHYL--------

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 : 1011 -38222 -37.81 -141.04 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain B : 0.65 3D Compatibility (PKB) : -37.81 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.411

(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: