Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSKEKKSVTILTESQLSSRAFKDEAYEFYKELRKSQALYPLSLGALGK-GWLISRYDDAIHLLKNEKL----KKNYENV---FTAKEKRPALLKNEETLTKHMLNSDPPDHNRLRTLVQKAFTHRMILQLEDKIQHIADSLLDKVQPNKFMNLVDDYAFPLPIIVISEMLGIPLEDRQKFRVWSQAIIDFSDAPERLQENDHLLGEFVEYLESLVRKKRREPAGDLISALIQA-ESEGTQLSTEELYSMIMLLIVAGHETTVNLITNMTYALMCHHDQLEKLRQQPDLMNSAIEEALRFHSPVELTTIRWTAEPFILHGQEIKRKDVIIISLASANRDEKIFPNADIFDIERKNNRHIAFGHGNHFCLGAQLARLEAKIAISTLLRRCPNIQLKGEKKQMKWKGNFLMRALEELPISF 1OXA Chain:A ((2-399)) ------------TVPDLESDSFHVDWYSTYAELRETAPVTPVRF--LGQDAWLVTGYDEAKAALSDLRLSSDPKKKYPGVEVEFPAYLGFPEDVRN--YFATNMGTSDPPTHTRLRKLVSQEFTVRRVEAMRPRVEQITAELLDEVGDSGVVDIVDRFAHPLPIKVICELLGVDEAARGAFGRWSSEILVMD--PERAEQRGQAAREVVNFILDLVERRRTEPGDDLLSALISVQDDDDGRLSADELTSIALVLLLAGFEASVSLIGIGTYLLLTHPDQLALVRADPSALPNAVEEILRYIAPPE-TTTRFAAEEVEIGGVAIPQYSTVLVANGAANRDPSQFPDPHRFDVTRDTRGHLSFGQGIHFCMGRPLAKLEGEVALRALFGRFPALSLGIDADDVVWRRSLLLRGIDHLPV--

General information: TITO was launched using: RESULT: Template: 1OXA.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 : 1949 34660 17.78 89.10 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : 17.78 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.538

(partial model without unconserved sides chains): PDB file : Tito_1OXA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1OXA-query.scw PDB file : Tito_Scwrl_1OXA.pdb: