Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTKILEVKDLEISFDTYAGKVRAIRGVNFHLNKGETLAIVGESGSGKSVTTRSIMRLLSSNANIDAGQILFKGNDIVGKSEREMQKIRGKEIAMIFQDP----------MTSLDPTMPIGKQV--AESLRKHNKVSK-KEGQKAALELLKLVGIPEAEKRINSYPHQFSGGQRQRIVIAIALVCYPEILIADEPTTALDVTIQAQILELLKEIQTKIDTSIIFITHDLGVVANVADRVAVMYGGRIVEVGTSEEIFYNPQHPYTWGLLGSMPTLDSANDRLYAIPGSPPDLLNPPKGDAFYPRNEFAMKIDAEQEPPFFELSKTHKAATWLLAPQAPKVTPPEEIQRRWAIFKEKQKHTYGQGGIADAK 3B5J Chain:A ((24-236)) --------------------------INLSIKQGEVIGIVGRAGSGKSTLTKLIQRFYIP----ENGQVLIDGHDLALADPNWLRR----QVGVVLQDNVLLNRSIIDNISLANPGMSVEKVIYAAKLAGAHDFISELREGYNT------IVGEQGA---------GLSGGQRQRIAIARALVNNPKILIFDEATSALDYESEHVIMRNMHKICK--GRTVIIIAHRLSTVKN-ADRIIVMEKGKIVEQGKHKELLSEPESLYSY--------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3B5J.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 : 942 10314 10.95 51.57 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : 10.95 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.394

(partial model without unconserved sides chains): PDB file : Tito_3B5J.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3B5J-query.scw PDB file : Tito_Scwrl_3B5J.pdb: