Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIRVTRLLEVKDLAISFKTYGGEVQAIRGVNFHLDKGETLAIVGESGSGKSVTSQAIMKL-IPMPPGYFKRGEILFEGKDLVPLSEKEMQNVRGKEIGMIFQDP----------MTSLNPTMKVGKQI--TEVLFKHEKISKEAAKKRAVELLELVGIPMPEKRVNQFPHEFSGGMRQRVVIAMALAANPKLLIADEPTTALDVTIQAQILELMKDLQKKIDTSIIFITHDLGVVANVADRVAVMYAGQIVETGTVDEIFYDPRHPYTWGLLASMPTLESSGEEELTAIPGTPPDLTNPPKGDAFALRSSYAMKIDFEQEPPMFKVSDTHYVKSWLLHPDAPKVEPPEAVKAKMRKLANTFEKPVLVREVE 2PMK Chain:A ((24-236)) -----------------------------INLSIKQGEVIGIVGRSGSGKSTLTKLIQRFYIP------ENGQVLIDGHDLALADPNWLR----RQVGVVLQDNVLLNRSIIDNISLANPGMSVEKVIYAAKLAGAHDFIS---------ELREGYNTIVGEQGAG-----LSGGQRQRIAIARALVNNPKILIFDEATSALDYESEHVIMRNMHKICK--GRTVIIIAHRLSTVKN-ADRIIVMEKGKIVEQGKHKELLSEPESLYSY------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2PMK.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 : 875 -128170 -146.48 -640.85 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -146.48 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.495

(partial model without unconserved sides chains): PDB file : Tito_2PMK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2PMK-query.scw PDB file : Tito_Scwrl_2PMK.pdb: