Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTSGFETLNLHPQLKKAIDALGFTQMTPIQQKVLKYTLAGHDAIGRAQTGTGKTAAFLISVINDLLNNPVQEQRFRGEPRALILAPTRELALQIESDAKSLTKFSNLHLVTLLGGVDFDKQKKQLDANFVDIMVATPGRLIDFVEQKEVWLDQIEFLVIDEADRLLDMGFIPSVKRIVRYSPRKEQRQTLMFSATFSYDVLNLARQWLFEPVTVEIEPEQKTNNDVEQRVYVVAKQDKYRLLQDILREEPIDKVMIFANRRDQVRRLYDHLKKDGYKVGMLSGEIAQDKRLKMLEQFKQGKHNIMIATDVAGRGIHVEGVSHVVNFTLPEQSDDYVHRIGRTGRAGAQGVSISFLSEDDAFYLPEIEKAIGKKLPLTRLDGYC 2DB3 Chain:B ((58-416)) ----FTSADLRDIIIDNVNKSGYKIPTPIQKCSIPVISSGRDLMACAQTGSGKTAAFLLPILSKLLEDPHELEL--GRPQVVIVSPTRELAIQIFNEARKFAFESYLKIGIVYGGTSFRHQNECITRG-CHVVIATPGRLLDFVDRTFITFEDTRFVVLDEADRMLDMGFSEDMRRIMTHVTMRPEHQTLMFSATFPEEIQRMAGEFLKNYVFVAIGIVGGACSDVKQTIYEVNKYAKRSKLIEILSEQ-ADGTIVFVETKRGADFLASFLSEKEFPTTSIHGDRLQSQREQALRDFKNGSMKVLIATSVASRGLDIKNIKHVINYDMPSKIDDYVHRIGRTGRVGNNGRATSFFD-------PEKDRAIAADL---------

General information: TITO was launched using: RESULT: Template: 2DB3.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 : 2080 -237498 -114.18 -661.55 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain B : 0.78 3D Compatibility (PKB) : -114.18 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.611

(partial model without unconserved sides chains): PDB file : Tito_2DB3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2DB3-query.scw PDB file : Tito_Scwrl_2DB3.pdb: