Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGKSKMTNSNYKLTKEDFNQINKRRLFTFQLGWNYERMQASGYLYMILPQLRKMYGDGTPELKEMMKVHTQFFNTSPFFHTIIAG---------FDLAMEEKDGVGSKDAVNGIKTGLMGPFAPLGDTIFGSLVPAIMGSVAATMAIAGQPWGIFLWIAVAVAYDIFRWKQLEFAYKEGVNLINNMQSTLTALIDAASVLGVFMMGALVATVINFEISYKLPIGEKMIDFQDILNQIFPRLLPAIFTAFIFWLLGKKGMNSTKAIGIIIVLALALSALGHFALGM 2AIZ Chain:P ((42-118)) ----------------------------------------------------------TGEYVQILDAHAAYLNATPAAKVLVEGNTDERGTPEYNIALGQR----RADAVKGYLAGKGVDAGKLGTVSYGEEKPAVLG--------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2AIZ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain P - contact count / total energy / energy per contact / energy per residue : 186 -8608 -46.28 -126.58 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain P : 0.51 3D Compatibility (PKB) : -46.28 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.51 QMean score : 0.106

(partial model without unconserved sides chains): PDB file : Tito_2AIZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2AIZ-query.scw PDB file : Tito_Scwrl_2AIZ.pdb: