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

General information: TITO was launched using: RESULT: Template: 2ZYQ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1175 -21419 -18.23 -88.88 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain B : 0.66 3D Compatibility (PKB) : -18.23 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.407

(partial model without unconserved sides chains): PDB file : Tito_2ZYQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2ZYQ-query.scw PDB file : Tito_Scwrl_2ZYQ.pdb: