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:B ((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 B - contact count / total energy / energy per contact / energy per residue : 949 7124 7.51 35.62 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain B : 0.69 3D Compatibility (PKB) : 7.51 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.69 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: