Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEKVLVIVGPTAVGKTALSVELAQLFGGEIISGDSLQIYKNLDIGTAKIKEEEMNNVPHHLIDVIEPTQRYSAADFQHSGRQLITEIANRGHLPIIAGGTGLYIQSLLYDYQLGATEEANPEIRKKYETLAETIGSQALWNQLKEKDPAAAEKIHWNNQRKVIRALEVLETTGHSITAPKEEPKQLYDYLMIGLDTKRSILYERINQRVDLMLAEGLVAEARKVYELGE--VQASQGIGYKEFFPYFEGKETLEEATEQVKLHSRRYAKRQLTWFRNRLDA-QWFDLISEPNQKSQIEQTIKKWLEAE 3EXA Chain:B ((2-306)) KEKLVAIVGPTAVGKTKTSVMLAKRLNGEVISGDSMQVYRGMDIGTAKITAEEMDGVPHHLIDIKDPSESFSVADFQDLATPLITEIHERGRLPFLVGGTGLYVNAVIHQFNLGDIR-ADEDYRHELEAFVNSYGVQALHDKLSKIDPKAAAAIHPNNYRRVIRALEIIKLTG-----------SPYNLVMIGLTMERDVLYDRINRRVDQMVEEGLIDEAKKLYDRGIRDCQSVQAIGYKEMYDYLDGNVTLEEAIDTLKRNSRRYAKRQLTWFRNK-ANVTWFDMTDVDFDKK-IME-IHNFIA--

General information: TITO was launched using: RESULT: Template: 3EXA.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 : 1281 -96767 -75.54 -336.00 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain B : 0.85 3D Compatibility (PKB) : -75.54 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.574

(partial model without unconserved sides chains): PDB file : Tito_3EXA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3EXA-query.scw PDB file : Tito_Scwrl_3EXA.pdb: