Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRRLPLLEVSQLKMHFDAGKKRTVKAVDGVTFQIREGETFGLVGESGCGKSTLGRVLMRLYQPTEGSVTYRGTNLHALSEKEQFAFNRKLQMIFQDPY----------ASLNPRMTVREIILEPMEIHNLYNTHKARLLVVDELLEAVGLHPDFGSRYPHEFSGGQRQRIGIARALSLNPEFIVADEPISALDVSVQAQVVNLLKRLQKEKGLTFLFIAHDLSMVKHISDRIGVMYLGHMMEITESGTLYREPLHPYTKALLSSIPIPDPELEDKRERILLKGELPSPVNPPSGCVFRTRCPEAMPECGESRPQLQEIEPGRFVACHLYRNAETKEKVR 1XEF Chain:B ((19-233)) --------------------------LDNINLSIKQGEVIGIVGRSGSGKSTLTKLIQRFYIPENGQVLIDG---HDLALADPNWLRRQVGVVLQDNVLLNRSIIDNISLANPGMSVEKVIYAA----KLAGAHD----FISELRE--GYNTIVGEQGAG-LSGGQRQRIAIARALVNNPKILIFDEATSALDYESEHVIMRNMHKIC--KGRTVIIIAARLSTVKN-ADRIIVMEKGKIVEQGKHKELLSEPESLYS---------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1XEF.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 : 918 -115793 -126.14 -564.84 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain B : 0.72 3D Compatibility (PKB) : -126.14 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.488

(partial model without unconserved sides chains): PDB file : Tito_1XEF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1XEF-query.scw PDB file : Tito_Scwrl_1XEF.pdb: