Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEKVFIKALPVLRILIEAGHQAYFVGGAVRDSYMKRTIGDVDIATDAAPDQVERLFQRTVDVG----KEHGTIIVLWEDETYEVTTFRTESDYVDFRRPSEVQFI-SSLEEDLKRRDLTINAMAMTAD----GKVLDYFGGKKDIDQKVIRTVGKPEDRFQEDALRMLRAVRFMSQLGFTLSPETEEAIAKEKSLLSHVSVERKTIEFEKLLQGRASRQALQTLIQTRLYEELPGFYHKRENLISTSEFPFFSLTSREELWAALLINLGIVLKDAPLFLKAWKLPGKVIKEAIHIADTFGQSLDAMTMYRAGKKALLSAAKISQLRQNEKLDEKKLKDIQYAYQNLPIKSLKDLDITGKDLLALRNRPAGKWVSEELQWIEQAVVTGKLSNQKKHIEEWLKTCGQH 4WC0 Chain:A ((8-187)) ----------------EMGLRAYIVGGVVRDILLGKEVWDVDFVVEGNAIELAKELARRHGVNVHPFPEFGTAHLKIGKLKLEFATARRE---------------PASLKEDLIRRDFTINAMAISVNLEDYGTLIDYFGGLRDLKDKVIRVLHPVS--FIEDPVRILRALRFAGRLNFKLSRSTEKLLKQAVNL-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4WC0.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 : 713 6831 9.58 44.64 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : 9.58 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.436

(partial model without unconserved sides chains): PDB file : Tito_4WC0.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4WC0-query.scw PDB file : Tito_Scwrl_4WC0.pdb: