手法: restrained molecular dynamics; simulated annealing / ソフトェア番号: 1 詳細: The structures are based on a total of 268 NOE derived distance constraints, 171 dihedral restraints and 49 distance restraints from hydrogen bonds. The 17 structures with lowest NOE and ...詳細: The structures are based on a total of 268 NOE derived distance constraints, 171 dihedral restraints and 49 distance restraints from hydrogen bonds. The 17 structures with lowest NOE and dihedral angle violation energies are presented
代表構造
選択基準: closest to the average
NMRアンサンブル
コンフォーマー選択の基準: structures with the least restraint violations 計算したコンフォーマーの数: 50 / 登録したコンフォーマーの数: 17