手法: torsion angle dynamics, simulated annealing cartesian dynamics ソフトェア番号: 1 詳細: 300 structures were calculated using the program Cyana. 50 structures with lowest target function were selected for further refinement., 50 Cyana structures were refined in explicit solvent ...詳細: 300 structures were calculated using the program Cyana. 50 structures with lowest target function were selected for further refinement., 50 Cyana structures were refined in explicit solvent using the HADDOCK program. 20 lowest energy structures were selected.
NMR constraints
NOE constraints total: 2056 / NOE intraresidue total count: 438 / NOE long range total count: 663 / NOE medium range total count: 382 / NOE sequential total count: 573 / Protein chi angle constraints total count: 0 / Protein other angle constraints total count: 0 / Protein phi angle constraints total count: 60 / Protein psi angle constraints total count: 60
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: 300 / 登録したコンフォーマーの数: 20