Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTNETPFSKNAEMYRDEKV---FAEGEDLGLMIKTAE-CRAEHRVLDIGAGAGHTALAFSPYV-QECIGVDATKEMVEVASSFAQEKGV-ENVRFQQGTAESLPFPDDSFDIITCRYAAHHFSDVRKAVREVARVLKQDGRFLLVDHYAPEDPVLDEFVNHLNRLRDPSHVRESSLSEWQAMFSANQLAYQDIQKWNLPIQYDSWIKRGGTPADREKQIITHLNHASDEARDTFCITLNQNGQPISFCLKAILIQGIKR 3F4K Chain:A ((14-193)) --------SFICNYFKLLKRQGPGSPEATRKAVSFINELTDDAKIADIGCGTGGQTLFLADYVKGQITGIDLFPDFIEIFNENAVKANCADRVKGITGSMDNLPFQNEELDLIWSEGAIYNIG-FERGMNEWSKYLKKGGFIAVSEASWFTSERPAEIEDFW----MDAYPEISVIPTCIDKMERAGYTPTAH------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3F4K.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 : 809 -87864 -108.61 -504.97 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -108.61 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.524

(partial model without unconserved sides chains): PDB file : Tito_3F4K.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3F4K-query.scw PDB file : Tito_Scwrl_3F4K.pdb: