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 2931 restraints, 2548 are NOE-derived distance constraints, 249 dihedral angle restraints,134 distance restraints from hydrogen bonds.
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 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: 100 / 登録したコンフォーマーの数: 20