Text: For determination of hydrogen bonds, amide protons exchanging slowly with deuterons were identified by time course 1H-15N HSQC experiments on a freeze-dried 15N-labelled sample of BC dissolved in D2O buffer.
手法: simulated annealing / ソフトェア番号: 1 詳細: Following identification of the global fold from manual inspection of the nuclear Overhauser effect spectroscopy data, ambiguous NOE restraints were resolved using the iterative ARIA method ...詳細: Following identification of the global fold from manual inspection of the nuclear Overhauser effect spectroscopy data, ambiguous NOE restraints were resolved using the iterative ARIA method (Nilges et al., 1997) and the structure was determined by simulated annealing using the CNS package.
代表構造
選択基準: minimized average structure
NMRアンサンブル
コンフォーマー選択の基準: structures with the lowest energy 計算したコンフォーマーの数: 100 / 登録したコンフォーマーの数: 21