Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------------------MKKIKKESYGFLTIFVACIMMVLQRILISAVTIPTYATNPGRFYIYTFLQTSVVIGANLIPLYMGYQYQKIARLKVLHYLSRFAFIFLIATLVCNIFFLRTSWQLEYS---------------------------------------------------------------------- 3UX4 Chain:A ((1-195)) MLGLVLLYVGIVLISNGICGLTKVDPKSTAVMNFFVGGLSIVCNVVVITYSALHPTAPS--------FYGPATGLLFGFTYLYAAINHTFGLDWRPYSWYSLFVAINTVPAAILSH----------YSDMLDDHKVLGITEGDWWAIIWLAWGVLWLTAFIENILKIPLGKFTPWLAIIEGILTAWIPAWLLFIQHWV

General information: TITO was launched using: RESULT: Template: 3UX4.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 : 260 -43234 -166.28 -480.37 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.52 3D Compatibility (PKB) : -166.28 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.52 QMean score : 0.190

(partial model without unconserved sides chains): PDB file : Tito_3UX4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3UX4-query.scw PDB file : Tito_Scwrl_3UX4.pdb: