Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNLEKWIEEKFNTTKYTLEKTDKGISNHNYILTIND----TKYMIRVPKKNHESLGLQHEHEKKILTL--VSDLDVPTVLFDEKEGIKVTHYIEDVKTFNECK-DKDKFARCANLMKSLHTKKAPLF----IF----NPFGKIEFYKSQIKECI-----------VSFPNEENFLEA----------------LKKE-YKPNTLCHNDFVQGNILYSDTKDYLIDYEYAAKNDYRFDIASFFSENNIHY-----------------IDQRDQFYQTYFDG-EID-----PMI----DVQVQAFERMEDILWGYWANMLYEQRGEQIYFDIAKDKEKHYRG 3MES Chain:B ((73-403)) ---------------IEVKQIFSGLTNQLFVVSIVNELKHPRILFRIYGKHV--F-YDSKVELDVFRYLSNINIAPNIIADFPE--GRIEEFIDGEPLTTKQLQLTHICVEVAKNMGSLHIINSKRADFPSRFDKEPILFKRIYLWREEAKIQVSKNNQIDKELYSKILEEIDQLEELIMGGEKFSMERALELKLYSPAFSLVFAHNDLQENNLLQTQNNIRMIDYEYSAINFAGADIANYFCEYIYDYCSEKQPYFKFKYEDYPCEELRKLFISVYLSQTLQEQVMPSQQIVHIMTKAVEVFTLISHITWGLWSIA----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 : 884 -14728 -16.66 -60.11 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain B : 0.64 3D Compatibility (PKB) : -16.66 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.256

(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: