Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTKEKNVILTARDIVVEFDVRDKVLTAIRGVSLELVEGEVLALVGESGSGKSVLTKTFTGM-LEENGRIAQGSIDYRGQDLTALSSHKDWEQIRGAKIATIFQDPM----TSLDPIKTI--GSQITEVIVKHQGKTAKE-AKELAIDYMNKVGIPDADRRFNEYPFQYSGGMRQRIVIAIALACRPDVLICDEPTTALDVTIQAQIIDLLKSLQNEYHFTTIFITHDLGVVASIADKVAVMYAGEIVEYGTVEEVFYDPRHPYTWSLLSSLPQLADDKGDLYSIPGTPPSLYTDLKGDAFALRSDYAMQIDFEQKAPQFSVSETHWAKTWLLHEDAPKVEKPAVIANLHDKIREKMGFAHLAD 1XEF Chain:D ((22-234)) ------------------------------INLSIKQGEVIGIVGRSGSGKSTLTKLIQRFYIPENGQVL---ID--GHDLAL--ADPNWLR---RQVGVVLQDNVLLNRSIIDNISLANPGMSVEKVIYAAKLAGAHDFISELREGYNTIVG---------EQGAGLSGGQRQRIAIARALVNNPKILIFDEATSALDYESEHVIMRNMHKICKGR--TVIIIAARLSTVKN-ADRIIVMEKGKIVEQGKHKELLSEPESLYSY--------------------------------------------------------------------------------------------------

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 D - contact count / total energy / energy per contact / energy per residue : 951 -36456 -38.33 -177.83 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain D : 0.68 3D Compatibility (PKB) : -38.33 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.388

(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: