Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTKILEVKDLEISFDTYAGKVRAIRGVNFHLNKGETLAIVGESGSGKSVTTRSIMRLLSSNANIDAGQILFKGNDIVGKSEREMQKIRGKEIAMIFQDP----------MTSLDPTMPIGKQV--AESLRKHNKVSK-KEGQKAALELLKLVGIPEAEKRINSYPHQFSGGQRQRIVIAIALVCYPEILIADEPTTALDVTIQAQILELLKEIQTKIDTSIIFITHDLGVVANVADRVAVMYGGRIVEVGTSEEIFYNPQHPYTWGLLGSMPTLDSANDRLYAIPGSPPDLLNPPKGDAFYPRNEFAMKIDAEQEPPFFELSKTHKAATWLLAPQAPKVTPPEEIQRRWAIFKEKQKHTYGQGGIADAK 2FGK Chain:D ((28-240)) --------------------------INLSIKQGEVIGIVGRSGSGKSTLTKLIQRFYIP----ENGQVLIDGHDLALADPNWLRR----QVGVVLQDNVLLNRSIIDNISLANPGMSVEKVIYAAKLAGAHDFISELREGYNT------IVGEQGA---------GLSGGQRQRIAIARALVNNPKILIFDQATSALDYESEHVIMRNMHKICK--GRTVIIIAHRLSTVKN-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 : 947 8752 9.24 43.76 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain D : 0.69 3D Compatibility (PKB) : 9.24 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.351

(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: