Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTKEKNVILTARDIVVEFDVRDKVLTAIRGVSLELVEGEVLALVGESGSGKSVLTKTFTGM-LEENGRIAQGSIDYRGQDLTALSSHKDWEQIRGAKIATIFQDPM----TSLDPIKTI--GSQITEVIVKHQGKTAKE-AKELAIDYMNKVGIPDADRRFNEYPFQYSGGMRQRIVIAIALACRPDVLICDEPTTALDVTIQAQIIDLLKSLQNEYHFTTIFITHDLGVVASIADKVAVMYAGEIVEYGTVEEVFYDPRHPYTWSLLSSLPQLADDKGDLYSIPGTPPSLYTDLKGDAFALRSDYAMQIDFEQKAPQFSVSETHWAKTWLLHEDAPKVEKPAVIANLHDKIREKMGFAHLAD 2FGK Chain:A ((28-240)) ------------------------------INLSIKQGEVIGIVGRSGSGKSTLTKLIQRFYIPENGQVL---ID--GHDLAL--ADPNWLR---RQVGVVLQDNVLLNRSIIDNISLANPGMSVEKVIYAAKLAGAHDFISELREGYNTIVG---------EQGAGLSGGQRQRIAIARALVNNPKILIFDQATSALDYESEHVIMRNMHKICKGR--TVIIIAHRLSTVKN-ADRIIVMEKGKIVEQGKHKELLSEPESLYSY--------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2FGK.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 : 954 -41407 -43.40 -201.99 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -43.40 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.374

(partial model without unconserved sides chains): PDB file : Tito_2FGK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2FGK-query.scw PDB file : Tito_Scwrl_2FGK.pdb: