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:B ((74-409)) --------------------------EVKQIFSGLTNQLFVVSIVNELKHPRILFRIYGKHV--FYDSKVELDVFRYLSNINIAPNIIADFP--EGRIEEFI-DGEPLTTK-QLQLTHICVEVAKNMGSLHIINSKRADFPSRFDKEPILFKRIYLWREEAKIQVSKNNQIDKELYSKILEEIDQLEELIMGGEKFSMERALELKLYSPAFSLVFAHNDLQENNLLQTQ-NNIRMIDYEYSAINFAGADIANYFCEYIYDYCSEKQPYFKFKYEDYPCEELRKLFISVYLSQTLQEQVMPSQQIVHIMTKAVEVFTLISHITWGLWSIA-----SVEFDFTEYANTRFTHYLQKKKEL--------------

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 : 967 -13565 -14.03 -52.37 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain B : 0.63 3D Compatibility (PKB) : -14.03 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.341

(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: