手法: Simulated annealing using torsion angle, Cartesian dynamics ソフトェア番号: 1 詳細: the structures are based on a total of 1464 restraints, 1152 are NOE-derived distance constraints, 64 dihedral angle restraints, 198 chemical shift-based dihedral angle restraints predicted ...詳細: the structures are based on a total of 1464 restraints, 1152 are NOE-derived distance constraints, 64 dihedral angle restraints, 198 chemical shift-based dihedral angle restraints predicted by TALOS,50 distance restraints from hydrogen bonds.
代表構造
選択基準: lowest energy
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: 50 / 登録したコンフォーマーの数: 10