手法: simulated annealing / ソフトェア番号: 1 / 詳細: water refinement with Haddock2.0 using CNS
NMR constraints
NOE constraints total: 1216 / NOE intraresidue total count: 378 / NOE long range total count: 255 / NOE medium range total count: 247 / NOE sequential total count: 336 / Protein phi angle constraints total count: 44 / Protein psi angle constraints total count: 44
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 the lowest energy 計算したコンフォーマーの数: 200 / 登録したコンフォーマーの数: 20 / Maximum upper distance constraint violation: 15 Å
NMR ensemble rms
Distance rms dev: 3.35 Å / Distance rms dev error: 1.15 Å