Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAFRKPDEIAEAAIEAGM-KKIKLPLPSLLVLGFLGGAFIALGYLLDIRVI---GDLPKEWGSLSSLIGAAVFPVGLILVVLAGAELITGNMMSVAMALFSRKISVKELAINWGIVTIMNLIGAL-FVAYFFGHLVGLTETGPYLEKTIAVAQGKLDMSFGKVLISAIGCNWLVCLAVWLSFGAQDAAGKILGIWFPIMAFVAIGFQHVVANMFVIPAAIFAGSFTWGQF--------------------IGNIIPAFIGNVIGGAVFVGLIYFIAYHKKDRSRKEMKQVS 3Q7K Chain:J ((12-279)) -----PAAMAKVAEEAGVYKATKHPLKTFY-LAITAGVFISIAFVFYITATTGTGAMPY---GMAKLIGGICFSLGLILCVICGADLFTSTVL-IVVAKASGRITWGQLAKNWLNVYFGNLIGALLFVLLMWLSGEYMTANGQWGLNVLQTADHKMHHTFIEAVCLGILANLMVCLAVWMSYSGRSLMDKAFIMVLPVAMFVASGFEHSIANMFMIPMGIVIRDFATPEFWTAVGSSPESFSHLTVMSFITDNLIPVTIGNIIGGGLLVGLTYWVIYL-------------

General information: TITO was launched using: RESULT: Template: 3Q7K.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain J - contact count / total energy / energy per contact / energy per residue : 1125 -188322 -167.40 -774.99 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain J : 0.77 3D Compatibility (PKB) : -167.40 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.326

(partial model without unconserved sides chains): PDB file : Tito_3Q7K.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3Q7K-query.scw PDB file : Tito_Scwrl_3Q7K.pdb: