structures with acceptable covalent geometry, structures with favorable non-bond energy, structures with the least restraint violations, structures with the lowest energy
手法: simulated annealing / ソフトェア番号: 1 詳細: The structures are based on a total of 452 distance constraints (252 are intraresidual NOE-derivated distance constraints, 200 are interresidual NOE-derivated distance constraints including ...詳細: The structures are based on a total of 452 distance constraints (252 are intraresidual NOE-derivated distance constraints, 200 are interresidual NOE-derivated distance constraints including 49 long range), 13 3J and 10 hbonds
代表構造
選択基準: fewest violations, lowest energy
NMRアンサンブル
コンフォーマー選択の基準: structures with acceptable covalent geometry, structures with favorable non-bond energy, structures with the least restraint violations, structures with the lowest energy 計算したコンフォーマーの数: 10 / 登録したコンフォーマーの数: 1