Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTKILEVKDLEISFDTYAGKVRAIRGVNFHLNKGETLAIVGESGSGKSVTTRSIMRLLSSNANIDAGQILFKGNDIVGKSEREMQKIRGKEIAMIFQDP----------MTSLDPTMPIGKQV--AESLRKHNKVSK-KEGQKAALELLKLVGIPEAEKRINSYPHQFSGGQRQRIVIAIALVCYPEILIADEPTTALDVTIQAQILELLKEIQTKIDTSIIFITHDLGVVANVADRVAVMYGGRIVEVGTSEEIFYNPQHPYTWGLLGSMPTLDSANDRLYAIPGSPPDLLNPPKGDAFYPRNEFAMKIDAEQEPPFFELSKTHKAATWLLAPQAPKVTPPEEIQRRWAIFKEKQKHTYGQGGIADAK 1XEF Chain:B ((22-234)) --------------------------INLSIKQGEVIGIVGRSGSGKSTLTKLIQRFYIP----ENGQVLIDGHDLALADPNWLRR----QVGVVLQDNVLLNRSIIDNISLANPGMSVEKVIYAAKLAGAHDFISELREGYNT------IVGEQGA---------GLSGGQRQRIAIARALVNNPKILIFDEATSALDYESEHVIMRNMHKICK--GRTVIIIAARLSTVKN-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 B - contact count / total energy / energy per contact / energy per residue : 941 8158 8.67 40.79 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain B : 0.69 3D Compatibility (PKB) : 8.67 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.421

(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: