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:A ((73-411)) ----------------------IEVKQIFSGLTNQLFVVSIVNELKHPRILFRIYGKHV-KFYDSKVELDVFRYLSNINIAPNIIADF--PEGRIEEFIDGEPLTTKQLQLTHICVEVAKNMGSLHIINSKRADFPSRFDKEPILFKRIYLWREEAKIQVSKNNIDKELYSKILEEIDQLEELIMGGEKFSMERALELKLYSPAFSLVFAHNDLQENNLLQTQNNIRMIDYEYSAINFAGADIANYFCEYIYDYCSEKQPYFKFKYEDYPCEELRKLFISVYLSQTLQEQVMPSQQIVHIMTKAVEVFTLISHITWGLWSIA---------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 : 936 -23665 -25.28 -93.17 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -25.28 2D Compatibility (Sec. Struct. Predict.) : 0.60 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: