Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEKVFIKALPVLRILIEAGHQAYFVGGAVRDSYMKRTIGDVDIATDAAPDQVERLFQRTVDVG----KEHGTIIVLWEDETYEVTTFRTESDYVDFRRPSEVQFI--SSLEEDLKRRDLTINAMAMTAD----GKVLDYFGGKKDIDQKVIRTVGKPEDRFQEDALRMLRAVRFMSQLGFTLSPETEEAIAKEKSLLSHVSVERKTIEFEKLLQGRASRQALQTLIQTRLYEELPGFYHKRENLISTSEFPFFSLTSREELWAALLINLGIVLKDAPLFLKAWKLPGKVIKEAIHIADTFGQSLDAMTMYRAGKKALLSAAKISQLRQNEKLDEKKLKDIQYAYQNLPIKSLKDLDITGKDLLALRNRPAGKWVSEELQWIEQAVVTGKLSNQKKHIEEWLKTCGQH 4WC2 Chain:A ((8-185)) ----------------EMGLRAYIVGGVVRDILLGKEVWDVDFVVEGNAIELAKELARRHGVNVHPFPEFGTAHLKIGKLKLEFATARRET--------------EPASLKEDLIRRDFTINAMAISVNLEDYGTLIDYFGGLRDLKDKVIRVLHPVS--FIEDPVRILRALRFAGRLNFKLSRSTEKLLKQAVNL-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4WC2.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 : 694 15195 21.89 98.67 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : 21.89 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.439

(partial model without unconserved sides chains): PDB file : Tito_4WC2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4WC2-query.scw PDB file : Tito_Scwrl_4WC2.pdb: