Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRRLPLLEVSQLKMHFDAGKKRTVKAVDGVTFQIREGETFGLVGESGCGKSTLGRVLMRLYQPTEGSVTYRGTNLHALSEKEQFAFNRKLQMIFQDPY----------ASLNPRMTVREIILEPMEIHNLYNTHKARLLVVDELLEAVGLHPDFGSRYPHEFSGGQRQRIGIARALSLNPEFIVADEPISALDVSVQAQVVNLLKRLQKEKGLTFLFIAHDLSMVKHISDRIGVMYLGHMMEITESGTLYREPLHPYTKALLSSIPIPDPELEDKRERILLKGELPSPVNPPSGCVFRTRCPEAMPECGESRPQLQEIEPGRFVACHLYRNAETKEKVR 2FFA Chain:A ((25-239)) --------------------------LDNINLSIKQGEVIGIVGRSGSGKSTLTKLIQRFYIPENGQVLIDG---HDLALADPNWLRRQVGVVLQDNVLLNRSIIDNISLANPGMSVEKVIYAA----KLAGAHD----FISELRE--GYNTIVGEQGAG-LSGGQRQRIAIARALVNNPKILIFDEATSALDYESEHVIMRNMHKIC--KGRTVIIIAARLSTVKN-ADRIIVMEKGKIVEQGKHKELLSEPESLYS---------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2FFA.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 : 925 -116943 -126.42 -570.45 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -126.42 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.435

(partial model without unconserved sides chains): PDB file : Tito_2FFA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2FFA-query.scw PDB file : Tito_Scwrl_2FFA.pdb: