Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------MEKVFIKALPVLRILIEA-GHQAYFVGGAVRDSYMKRTIGDVDIATDAAPDQVERLFQRTVDVGKEHGTIIVLWEDETYEVTTFRTESDYVDFRRPSEVQFISSLEEDLKRRDLTINAMAMTADGKVLDYFGGKKDIDQKVIRTVGKPEDRFQEDALRMLRAVRFMSQLGFT---LSPETEEAIAKEKSLLSHVSVERKTIEFEKLLQGRASRQALQTLIQ--TRLYEELPGFYHKRENLISTSEFPFFSLTSREELWAALLINLGIVLKDAPL-FLKAWKLPGKVIKEAIHIADTFGQSLDAMTMYRAGKKALLSAAKISQLRQNEKLDEKKLKDIQYAYQNLPIKSLKDLDITGKDLLALRNRPAGKWVSEELQWIEQAVVTGKLSNQKKHIEEWLKTCGQH 4X4W Chain:A ((1-409)) MFTMKLQSPEFQSLFTEGLKSLTELFVKENHELRIAGGAVRDLLNGVKPQDIDFATTATPTQMKEMFQSA-GIRMINGTITARLHEENFEITTLRIDVT----TDGAEVEFTTDWQKDAERRDLTINSMFLGFDGTLFDYFNGYEDLKNKKVRFVGHAKQRIQEDYLRILRYFRFYGRIVDKPGDHDPETLEAIAENAKGLAGISGERIWVELKKILVGNHVNHLIHLIYDLDVAPYIGLPANASLEEFDKVSKNVDGFSPKPVTLLASLFKVQDDVTKLDLRLKIAKEEKNLGLFIVKNRKDLIKATDSSDPL--------KPYQDFIIDSDATTRVCELLKYQGEHCLLKEMQQWSIPPFPVSGHDIRKVGISSGKEIGALLQQLREQWKKSGYQMEKDELLSYIKKTL---

General information: TITO was launched using: RESULT: Template: 4X4W.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 : 1697 71197 41.95 186.87 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : 41.95 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.375

(partial model without unconserved sides chains): PDB file : Tito_4X4W.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4X4W-query.scw PDB file : Tito_Scwrl_4X4W.pdb: