Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKVINQTLLEKVIIERSRSSHKGDYGRLLLLGGTYPYGGAIIMAALAAVKNGAGLVTVGTDRENIPALHSHLPEAMAFALQDKQLLKEQLEKAEVVLLGPGLGDNAFGEDLVKQVFAGLKQNQILIVDGGALTILA-RTSLSFPSSQLILTPHQKEWEKLSGITIEKQKEDTTASALTSFPKGTILVEKGPATRVWQAGQSDYYQLQVGGPYQATGGMGDTLAGMIAGFVGQFRQASLYERVAVATHLHSAIAQELSQENYVVLPTEISRYLPKIMKIICQQERVSKDKLV 3BGK Chain:A ((36-307)) --IIDDLLTKKIIKPRPLNSHKGTFGRVLLIGGNYPYGGAIIMAALACVNSGAGLVTVATHKDNITALHSHLPEAMAFDMVEKDRLSEQITAADVVLMGPGLAEDDLAQTTFDVVWQAIEPKQTLIIDGSAINLLAKRK-AIWPTKQIILTPHQKEWERLSGLTIPEQIEAATQTALAHFPKETILVAKSHQTKIYQGQKIGH--IQVGGPYQATGGMGDTLAGMIAGFVAQF-HTDRFEVAAAAVFLHSYIADQLSKEAYVVLPTRISAEITRVMK--------------

General information: TITO was launched using: RESULT: Template: 3BGK.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 : 1602 -146063 -91.18 -540.97 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.86 3D Compatibility (PKB) : -91.18 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.605

(partial model without unconserved sides chains): PDB file : Tito_3BGK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3BGK-query.scw PDB file : Tito_Scwrl_3BGK.pdb: