Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKTLIILTVLLLSVLTAACSSSSGNQNSKEHKVAVTHDLGKTNVPEHPKRVVVLELGFIDTLLDLGITPVGVADDNKAKQLINKDVLKKIDGYTSVGTRSQPSMEKIASLKPDLIIADTTRHKKVYDQLKKIAPTIALNNLNADYQDTIDASLTIAKAVGKEKEMEKKLTAHEEKLSETKQKISAN-SQSVLLIGNTNDTIMARDENFFTSRLLTQVGYRYAISTSGNSDSSNGGDSVNMKMTLEQLLKTDPDVIILMTGKTDDLDADGKRPIEKNVLWKKLKAVKNGHVYHVDRAVWSLRRSVDGANAILDELQKEMPAAKK 3LI2 Chain:B ((8-287)) ---------------------------------ISVKDENGTVKVPKDAKRIVVLEYSFADALAALDVKPVGIADDGKKKRII-KPVREKIGDYTSVGTRKQPNLEEISKLKPDLIIADSSRHKGINKELNKIAPTLSLKSFDGDYKQNINSFKTIAKALNKEKEGEKRLAEHDKLINKYKDEIKFDRNQKVLPAVVAKAGLLAHPNYSYVGQFLNELGFKNALSDDVTKGLSKYLKGPYLQLDTEHLADLNPERMIIMTDHAKKDSAEFKK-LQEDATWKKLNAVKNNRVDIVDRDVWARSRGLISSEEMAKEL---------

General information: TITO was launched using: RESULT: Template: 3LI2.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 : 1556 -126310 -81.18 -452.72 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain B : 0.80 3D Compatibility (PKB) : -81.18 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.583

(partial model without unconserved sides chains): PDB file : Tito_3LI2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3LI2-query.scw PDB file : Tito_Scwrl_3LI2.pdb: