Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLIEDKIVEIATRVFQVNEIDVRVDSRFKGGMSNYTYLVYVKE----QPYVIRIIGDGGEVLVKPSIEKKHIQQAKALNLNSELVYFDSKTGVKVSKYVEGTPLSVSM--EETDYPLVANALKTLHQAKLPGE----DYG----LKERLRRYEKLLKKEP-------STTYYTL---KMQWLKLY------------DAYF--SKLPKVLCHGDAQRSNLVKSGDKIYLLDWEFSGLNDPYYDIASFGN-IDF--------------------KDAEKLLGYYLERTPS----------AFELAHIRFYRMYQVLQWHIVATYKHEINLSEKLHLDFEMIAGKYLSLAGHFLEQLKEIEQFK 3MES Chain:B ((73-411)) ----------------------IEVKQIFSGLTNQLFVVSIVNELKHPRILFRIYGKHV--FYDSKVELDVFRYLSNINIAPNIIADF--PEGRIEEFIDGEPLTTKQLQLTHICVEVAKNMGSLHIINSKRADFPSRFDKEPILFKRIYLWREEAKIQVSKNNQIDKELYSKILEEIDQLEELIMGGEKFSMERALELKLYSPAFSLVFAHNDLQENNLLQTQNNIRMIDYEYSAINFAGADIANYFCEYIYDYCSEKQPYFKFKYEDYPCEELRKLFISVYLSQTLQEQVMPSQQIVHIMTKAVEVFTLISHITWGLWSIA--------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 : 932 -23254 -24.95 -91.55 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain B : 0.67 3D Compatibility (PKB) : -24.95 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.407

(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: