Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEKVLVIVGPTAVGKTALSVELAQLFGGEIISGDSLQIYKNLDIGTAKIKEEEMNNVPHHLIDVIEPTQRYSAADFQHSGRQLITEIANRGHLPIIAGGTGLYIQSLLYDYQLGATEEANPEIRKKYETLAETIGSQALWNQLKEKDPAAAEKIHWNNQRKVIRALEVLETTGHSITAPKEEPKQL--YDYLMIGLDTKRSILYERINQRVDLMLAEGLVAEARKVYEL----------GEVQASQGIGYKEFFPYFEGKET--LEEATEQVKLHSRRYAKRQLTWFRNRLDAQWFDLISEPNQKSQIEQTIKKWLEAE 3EPK Chain:B ((2-292)) -KKVIVIAGTTGVGKSQLSIQLAQKFNGEVINSDSMQVYKDIPIITNKHPLQEREGIPHHVMNHVDWSEEYYSHRFETECMNAIEDIHRRGKIPIVVGGTHYYLQT-LFNKRVDTKSSERKLTRKQLDIL-ESTDPDVIYNTLVKCDPDIATKYHPNDYRRVQRMLEIYYKTGKKPSETFNEQKITLKFDTLFLWLYSKPEPLFQRLDDRVDDMLERGALQEIKQLYEYYSQNKFTPEQCENGVWQVIGFKEFLPWLT----VKLEDCIERMKTRTRQYAKRQVKWIKKML----------------------------

General information: TITO was launched using: RESULT: Template: 3EPK.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 : 1173 -55764 -47.54 -206.53 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain B : 0.79 3D Compatibility (PKB) : -47.54 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.490

(partial model without unconserved sides chains): PDB file : Tito_3EPK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3EPK-query.scw PDB file : Tito_Scwrl_3EPK.pdb: