Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMFNEAAVPFIQTARDNGLLFGGSNVPAMIDYTSEHRKSYHVRGSVFEVAPHFEVLNGIGYGAYGVVCAAVDLRLVASSVYYNEAMRIIEEGGRIVTRQRRGHDAPVYFRTRAVLDEAGRGGPVRVPHLYSEPFKRRVLACGGVSPFVAIKKVTKVFDDLVDGRRILREIKLLRYLQGHPNIVRLMEVGRPHVPTGASSSAAFDDIYLVTDLMDTDLAALLKSSQEIEMDQFRFIAYQLMKVLVYVHSSGVIHRDLKPGNILLNGNCDMKLCDFGLSRGGVPAWPHESTLTAVATAAESSAKELEDWGLFCWSSSAVRGASSAPHAAKQPPLYSLTDYVVTRYYRAPELLIM-GRYNHAIDMWSAGCILAEMLLRRPLFTGANYLSQLALILETPGLRGVPQTPEQVAALFEGGEEGKHFINDILFRKTARGRDSLTLSNQVHSQVLFHSTLFGFNVDIPISLGI-LIAKLLSFDPRKRPTAVEALRDPFFRPLYDSRDEILRCPASDPSVEREEIDDIAAYQKAHPCVVVDESPVFTWEFDHRITSAQALRSLFEEECQISRDVQQQIERQQRPR 2B9F Chain:A ((39-318)) ---------------------------------------------------------------------------------------------------------------------------------------------------VAIKKI-EPFDKPLFALRTLREIKILKHFK-HENIITIFNIQRP------DSFENFNEVYIIQELMQTDLHRVI-STQMLSDDHIQYFIYQTLRAVKVLHGSNVIHRDLKPSNLLINSNCDLKVCDFGLAR----------------IID--------------------------------------TEYVATRWYRAPEVMLTSAKYSRAMDVWSCGCILAELFLRRPIFPGRDYRHQLLLIF---GIIGTP-----------------HSDNDLRCIESPRAREYIK-SLPMYPAAPLEKMFPRVNPK-----GIDLLQRMLVFDPAKRITAKEALEHPYLQTYHDPNDE----------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2B9F.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 : 1262 -117649 -93.22 -449.04 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -93.22 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.480

(partial model without unconserved sides chains): PDB file : Tito_2B9F.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2B9F-query.scw PDB file : Tito_Scwrl_2B9F.pdb: