Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNGMSLIQLTNVKKTFNGKNGNIQAVNDVSLNVEKGDIYGIVGYSGAGKSTLVRLLNGLELPTSGEVIVNDQDITKLKNKELRTFRKKIGMIFQHFNLLWSRTVLENIQLP---LELAGVPKSKRKERAEELLR--------LVGLEGRGQAYPSQLSGGQKQRVGIARALANDPEILLCDEATSALDPQTTEEVLDLLLAINKKLNLTIVLITHEMNVIRKICNKVAVMELGKVVEEGDVLTVFRQPKKEVTKRFVQQDIEPEADSTELLAELIKEHPSGRLATFDL 1XEF Chain:B ((19-229)) -------------------------LDNINLSIKQGEVIGIVGRSGSGKSTLTKLIQRFYIPENGQVLIDGHDLALADPNWLR---RQVGVVLQD-NVLLNRSIIDNISLANPGMSVEKVIYAAKLAGAHDFISELREGYNTIVGEQGAG------LSGGQRQRIAIARALVNNPKILIFDEATSALDYESEHVIMRNMHKICK--GRTVIIIAARLSTVKN-ADRIIVMEKGKIVEQGKHKELLSEPE---------------------------------------

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 : 950 -25965 -27.33 -129.83 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain B : 0.76 3D Compatibility (PKB) : -27.33 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.462

(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: