Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAFRKPDEIAEAAIEAGMKKIKLPLPSLLVLGFLGGAFIALGYLLDIRVIG---DLPKEWGSLSSLIGAAVFPVGLILVVLAGAELITGNMMSVAMALFSRKISVKELAINWGIVTIMNLIGALFVAYFFGHLVGLTETGPYLE-KTIAVAQGKLDMSFGKVLISAIGCNWLVCLAVWLSFGAQDAAGKILGIWFPIMAFVAIGFQHVVANMFVIPAAI----FAGSFTWGQ----------------FIGNIIPAFIGNVIGGAVFVGLIYFIAYHKKDRSRKEMKQVS 3KLY Chain:A ((22-278)) ----------------GEGKAKKAAYKSFLLAISAGIQIGIAFVFYTVVTTGAHDMPY---GVTKLLGGLAFSLGLILVVITGGELFTSSVL-ILVAKASGKISWKELVRNWTVVYFGNLCGSIILVFIMLATRQFMEDGGQLGLNAMAISQHKLHHTFLQAFALGLMCNILVCLAVWMTFSARSLTDKVMVLILPVAMFVSSGFEHCIANMFQVPMAIGIKYFAPESFWAMTGANIAQYADLNFVNFIVNNLIPVTLGNIVGGGVFVGMWYWLIYL-------------

General information: TITO was launched using: RESULT: Template: 3KLY.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 : 1011 -184927 -182.91 -793.68 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -182.91 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.337

(partial model without unconserved sides chains): PDB file : Tito_3KLY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3KLY-query.scw PDB file : Tito_Scwrl_3KLY.pdb: