Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEKVFIKALPVLRILIEAGHQAYFVGGAVRDSYMKRTIGDVDIATDAAPDQVERLFQRTVDVG----KEHGTIIVLWEDETYEVTTFRTESDYVDFRRPSEVQFI--SSLEEDLKRRDLTINAMAMTAD----GKVLDYFGGKKDIDQKVIRTVGKPEDRFQEDALRMLRAVRFMSQLGFTLSPETEEAIAKEKSLLSHVSVERKTIEFEKLLQGRASRQALQTLIQTRLYEELPGFYHKRENLISTSEFPFFSLTSREELWAALLINLGIVLKDAPLFLKAWKLPGKVIKEAIHIADTFGQSLDAMTMYRAGKKALLSAAKISQLRQNEKLDEKKLKDIQYAYQNLPIKSLKDLDITGKDLLALRNRPAGKWVSEELQWIEQAVVTGKLSNQKKHIEEWLKTCGQH 4WC7 Chain:A ((8-185)) ----------------EMGLRAYIVGGVVRDILLGKEVWDVDFVVEGNAIELAKELARRHGVNVHPFPEFGTAHLKIGKLKLEFATARRET--------------EPASLKEDLIRRDFTINAMAISVNLEDYGTLIDYFGGLRDLKDKVIRVLHPVS--FIEDPVRILRALRFAGRLNFKLSRSTEKLLKQAVNL-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4WC7.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 : 690 13057 18.92 84.79 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : 18.92 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.467

(partial model without unconserved sides chains): PDB file : Tito_4WC7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4WC7-query.scw PDB file : Tito_Scwrl_4WC7.pdb: