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:D ((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 D - contact count / total energy / energy per contact / energy per residue : 970 -42963 -44.29 -209.58 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain D : 0.68 3D Compatibility (PKB) : -44.29 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.342

(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: