Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTYEYKSHIYLAETALNVKDLASQTAFYQQVIGLEILSQT-ETESILGLGGKVLVQLIQAQESGEVREHYGLYHLAILLPTRKALADVLKHLTDLQIPLVGGA-----DHGYSEAIYLEDLEGNGIELYRDKPVSTWDIREDGRIIGVTEALAAQDIYELGERVEPFILAEGTRMGHIHLSVKDSRKSSQFYQKVLGLEDKFSVP---------------SASWIAAGDYHHHLAVNEWRGKGLASRKQGLPGLAYYVIEVAHKKELLTIAQRAQEVDAPIKWM-------TSSKLEITDSDGIVTRIRLAR 2ZI8 Chain:A ((1-270)) -----MSIRSLGYLRIEATDMAAWREYGLKVLGMVEGKGAPEGALYLRMDDFPARLVVVP------GEHDRLLEAGWECANAEGLQEIRNRLDLEGTPYKEATAAELADRRVDEMIRFADPSGNCLEVFHGTALEHR---RV--V----SPY------------GHRFVTGEQGMGHVVLSTRDDAEALHFYRDVLGFRLRDSMRLPPQMVGRPADGPPAWLRFFGCNPRHHSLAFLP---------MPTSSGIVHLMVEVEQADDVGLCLDRALRRKVPMSATLGRHVNDLMLSFYMKTPGGFDIEFGCE-

General information: TITO was launched using: RESULT: Template: 2ZI8.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 : 1165 -17324 -14.87 -71.59 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -14.87 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.381

(partial model without unconserved sides chains): PDB file : Tito_2ZI8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2ZI8-query.scw PDB file : Tito_Scwrl_2ZI8.pdb: