Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNQVELIQALPKAELHVHIEGTFEPELMFAIAQRNQIQIPYKSVEEVKQAYNFH---NLQSFLDIY-YAGANVLVHEQDFYDLAWAYFEKCAEDRVVHTEMFFDPQ------------THTDRGIAFATVINGLKRACADAKDKFGISSQLIMCFLRHLSEEAAFETLEQALPF-KEDIIAVGLDSSEVGHPPAKFE---RVFAKAREEGFLIVAHAGEEGPPEYVWEALDLLKVNRIDHGVRSEEDEQLMARLINEKMPLTVCPLSNLKLCVVKDMKDHNIRRLLQKGVHVTVNSDDPSYFGGYMNDNFFAIQQALDLTNDELKQLAINSFEASFISDEEKQKWISEIQKI 2ADA Chain:A ((10-335)) ----------PKVELHVHLDGAIKPETILYFGKKRGIALPADTVEELRNIIGMDKPLSLPGFLAKFDYYMPVIAGCREAIKRIAYEFVEMKAKEGVVYVEVRYSPHLLANSKVDPMPWNQTEGDVTPDDVVDLVNQGLQEGEQAFGIKVRSILCCMRH-QPSWSLEVLELCKKYNQKTVVAMDLAGDETIEGSSLFPGHVEAYEGAVKNGIHRTVHAGEVGSPEVVREAVDILKTERVGHGYHTIEDEALYNRLLKENMHFEVCPWSSYLTGAWDPKTTHAVVRFKNDKANYSLNTDDPLIFKSTLDTDYQMTKKDMGFTEEEFKRLNINAAKSSFL---------------

General information: TITO was launched using: RESULT: Template: 2ADA.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 : 1786 7698 4.31 25.16 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : 4.31 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.434

(partial model without unconserved sides chains): PDB file : Tito_2ADA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2ADA-query.scw PDB file : Tito_Scwrl_2ADA.pdb: