Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNLWDIFFTTQATEPPKFDLFWYVSLFTLLALTFYTAHRYRENKVYQRFFQILQTVQLILLYGWYWVNHMPLSESLPFYHCRMAMFVVLLLPGQSKYKQYFALLGTFGTLAAFVYPVPDAYPFPHITILSFIFGHLALLGNSLVYLLRQYNARLLDVKGIFLMTFALNALIFVVNLVTGGDYGFLTKPPLVGDHGLVANYLLVSIVLVATISLTKKILEFFLAQEAEKMIAKEA 4JUY Chain:A ((5-197)) ----------HHHSSGRENLYFQGMPGEEEERAFLVAREELASALRRDSGQAFSLEQLRPLLA----SSLPLAARYLQLDAARLVRCNAHGEPRNYLNTLSTALNILEKYGRNLLSPQRPRYWRGVKFNNPVFRSTVDAVQGGRDVLRLYGYTEEQPDGLSF-------------------------PEGQEEPDEHQVATVTLEVLLLRTELSLLLQNTHPRQQALEQLLE--

General information: TITO was launched using: RESULT: Template: 4JUY.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 : 779 -108369 -139.11 -561.50 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.56 3D Compatibility (PKB) : -139.11 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.298

(partial model without unconserved sides chains): PDB file : Tito_4JUY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4JUY-query.scw PDB file : Tito_Scwrl_4JUY.pdb: