Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----------MTLLVKQELFKLIKKKSTAVLSVLLVVLLIGTALLAKKYTTIIDPVEMTAQLFSATS----WIVFIMIAAASTI--ISMEAQYGTLKNLLYRKYSR-------GEIL-VSKWITLVIYSVYL--------------------YLLAIIV------------------------------TVLMKLI-----LFPSISFTEKVSTG-----QTLIQSLFTYTL--------GSYIGLWLILSLVLMIACFINSSG--ASISAGIVFYFASSIISGILIALIQK---WEWIKWNPISMLNLQNQIGNEEIMKQLTHLSTNQMLFGNLAYIVLFLALGYLVFKRKNV 4XB6 Chain:C ((1-353)) MYVAVKGGEKAIDAAHALQESRRRGDTDLPELSVAQIEQQLNLAVDRVMTEGGIADRELAALALKQASGDNVEAIFLLRAYRTTLAKLAVSEPLDTTGMRLERRISAVYKDIPGGQLLGPTYDYTHRLLDFTLLANGEAPTLTTADSEQQPSPHVFSLLARQGLAKFEEDSGAQPDDITRTPPVYPCSRSSRLQQLMRGDEGYLLALAYSTQRGYGRNHPFAGEIRSGYIDVSIVPEELGFAVNVG-ELLMTECEMVNGFIDPPGEPPHFTRGYGLVFGMSERKAMAMALVDRALQAPEYGEHATGPAQDEEFVLAHADNVEVAGFVSHLKLPHYVDFQAELELLKRLQQEQNH-

General information: TITO was launched using: RESULT: Template: 4XB6.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 715 -52268 -73.10 -204.97 target 2D structure prediction score : 0.39 Monomeric hydrophicity matching model chain C : 0.63 3D Compatibility (PKB) : -73.10 2D Compatibility (Sec. Struct. Predict.) : 0.39 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.121

(partial model without unconserved sides chains): PDB file : Tito_4XB6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XB6-query.scw PDB file : Tito_Scwrl_4XB6.pdb: