Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEKVLVIVGPTAVGKTALSVELAQLFGGEIISGDSLQIYKNLDIGTAKIKEEEMNNVPHHLIDVIEPTQRYSAADFQHSGRQLITEIANRGHLPIIAGGTGLYIQSLLYDYQLGATEEANPEIRKKYETLAETIGSQALWNQLKEKDPAAAEKIHWNNQRKVIRALEVLETTGHSITAPKEEPKQLYDYLMIGLDTKRSILYERINQRVDLMLAEGLVAEARKVYELGE--VQASQGIGYKEFFPYFEGKETLEEATEQVKLHSRRYAKRQLTWFRNRLDA-QWFDLISEPNQKSQIEQTIKKWLEAE 3EXA Chain:A ((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 A - contact count / total energy / energy per contact / energy per residue : 1265 -100202 -79.21 -347.92 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.85 3D Compatibility (PKB) : -79.21 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.592

(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: