Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIRVTRLLEVKDLAISFKTYGGEVQAIRGVNFHLDKGETLAIVGESGSGKSVTSQAIMKL-IPMPPGYFKRGEILFEGKDLVPLSEKEMQNVRGKEIGMIFQDP----------MTSLNPTMKVGKQI--TEVLFKHEKISKEAAKKRAVELLELVGIPMPEKRVNQFPHEFSGGMRQRVVIAMALAANPKLLIADEPTTALDVTIQAQILELMKDLQKKIDTSIIFITHDLGVVANVADRVAVMYAGQIVETGTVDEIFYDPRHPYTWGLLASMPTLESSGEEELTAIPGTPPDLTNPPKGDAFALRSSYAMKIDFEQEPPMFKVSDTHYVKSWLLHPDAPKVEPPEAVKAKMRKLANTFEKPVLVREVE 1XEF Chain:D ((22-234)) -----------------------------INLSIKQGEVIGIVGRSGSGKSTLTKLIQRFYIP------ENGQVLIDGHDLALADPNWLR----RQVGVVLQDNVLLNRSIIDNISLANPGMSVEKVIYAAKLAGAHDFIS---------ELREGYNTIVGEQGAG-----LSGGQRQRIAIARALVNNPKILIFDEATSALDYESEHVIMRNMHKICK--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 D - contact count / total energy / energy per contact / energy per residue : 875 -127131 -145.29 -635.66 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain D : 0.68 3D Compatibility (PKB) : -145.29 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.504

(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: