手法: simulated annealing / ソフトェア番号: 1 詳細: Constrained simulated annealing torsion angle molecular dynamics refinement using xplor, and rdcs refinement using cns and water bath
NMR constraints
NOE constraints total: 1541 / NOE intraresidue total count: 397 / NOE long range total count: 510 / NOE medium range total count: 206 / NOE sequential total count: 428 / Hydrogen bond constraints total count: 10 / Protein chi angle constraints total count: 446 / Protein other angle constraints total count: 528 / Protein phi angle constraints total count: 41 / Protein psi angle constraints total count: 41
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: target function / 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