Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEKVFIKALPVLRILIEAGHQAYFVGGAVRDSYMKRTIGDVDIATDAAPDQVERLFQRTVDVG----KEHGTIIVLWEDETYEVTTFRTESDYVDFRRPSEVQFI--SSLEEDLKRRDLTINAMAMTAD----GKVLDYFGGKKDIDQKVIRTVGKPEDRFQEDALRMLRAVRFMSQLGFTLSPETEEAIAKEKSLLSHVSVERKTIEFEKLLQGRASRQALQTLIQTRLYEELPGFYHKRENLISTSEFPFFSLTSREELWAALLINLGIVLKDAPLFLKAWKLPGKVIKEAIHIADTFGQSLDAMTMYRAGKKALLSAAKISQLRQNEKLDEKKLKDIQYAYQNLPIKSLKDLDITGKDLLALRNRPAGKWVSEELQWIEQAVVTGKLSNQKKHIEEWLKTCGQH 4WC6 Chain:A ((8-185)) ----------------EMGLRAYIVGGVVRDILLGKEVWDVDFVVEGNAIELAKELARRHGVNVHPFPEFGTAHLKIGKLKLEFATARRET--------------EPASLKEDLIRRDFTINAMAISVNLEDYGTLIDYFGGLRDLKDKVIRVLHPVS--FIEDPVRILRALRFAGRLNFKLSRSTEKLLKQAVNL-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4WC6.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 : 695 8817 12.69 57.25 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : 12.69 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.458

(partial model without unconserved sides chains): PDB file : Tito_4WC6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4WC6-query.scw PDB file : Tito_Scwrl_4WC6.pdb: