Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEKVLVIVGPTAVGKTALSVELAQLFGGEIISGDSLQIYKNLDIGTAKIKEEEMNNVPHHLIDVIEPTQRYSAADFQHSGRQLITEIANRGHLPIIAGGTGLYIQSLLYDYQLGATEEANPEIRKKYETLAETIGSQALWNQLKEKDPAAAEKIHWNNQRKVIRALEVLETTGHSITAPKEE-----PKQLYDYLMIGLDTKRSILYERINQRVDLMLAEGLVAEARKVYELGEVQAS----QGIGYKEFFPYFEGKETLEEATEQVKLHSRRYAKRQLTWFRNRLDAQWFDLISEPNQKSQIEQTIKKWLEAE 2ZXU Chain:B ((9-296)) LPKAIFLMGPTASGKTALAIELRKILPVELISVDSALIYKGMDIGTAKPNAEELLAAPHRLLDIRDPSQAYSAADFRRDALAEMADITAAGRIPLLVGGTMLYFKALLEG--LSPLPSADPEVRARIEQQAAEQGWESLHRQLQEVDPVAAARIHPNDPQRLSRALEVFFISGKTLTELTQTSGDALPYQVHQFAIA--PASRELLHQRIEQRFHQMLASGFEAEVRALFARGDLHTDLPSIRCVGYRQMWSYLEGEISYDEMVYRGVCATRQLAKRQITWLRGWEGVHWLD----------------------

General information: TITO was launched using: RESULT: Template: 2ZXU.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 : 1312 -72620 -55.35 -260.28 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain B : 0.79 3D Compatibility (PKB) : -55.35 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.545

(partial model without unconserved sides chains): PDB file : Tito_2ZXU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2ZXU-query.scw PDB file : Tito_Scwrl_2ZXU.pdb: