Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSARLEQVLQQWQPGQRFTIQPGTAGVASPHRLATEWTGFWLESAG----QRFYAKVLCADQRALLDVRRSAEISRQAGELGIAPVLCHADEAAGVLIFAALEEDFRWAKLAHFSDPAQFDALTRTLDRLHEAALPLP----QHT----RQQDMQTLRQQLQQLE----VALPQEMLWLGECVDLAWQA----------------LNATSFSPVLIHGDPIASNWMVNSQGEWRLLDFDYAAQGDAWHDIATLIHEQLPT------------------DDRWRDAIRAWRGE--CH-----E----ADVARCRLYALVDDYHWTLWGMLNGHTSPRGLEFAKLGQWMLLRCRQSARDARFERWLTLTAEQTR 3MES Chain:A ((74-409)) --------------------------EVKQIFSGLTNQLFVVSIVNELKHPRILFRIYGKHV-KFYDSKVELDVFRYLSNINIAPNIIADFP--EGRIEEFI-DGEPLTTK-QLQLTHICVEVAKNMGSLHIINSKRADFPSRFDKEPILFKRIYLWREEAKIQVSKNN-IDKELYSKILEEIDQLEELIMGGEKFSMERALELKLYSPAFSLVFAHNDLQENNLLQTQ-NNIRMIDYEYSAINFAGADIANYFCEYIYDYCSEKQPYFKFKYEDYPCEELRKLFISVYLSQTLQEQVMPSQQIVHIMTKAVEVFTLISHITWGLWSIA------VEFDFTEYANTRFTHYLQKKKEL--------------

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 : 961 -10911 -11.35 -42.29 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -11.35 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.373

(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: