NMR ensemble. Conformer calculated 60;submitted 10. Selection criteria based on lowest energy and ...NMR ensemble. Conformer calculated 60;submitted 10. Selection criteria based on lowest energy and least restraint violation.
NOE constraints total: 473 / NOE intraresidue total count: 204 / NOE long range total count: 122 / NOE medium range total count: 34 / NOE sequential total count: 113 / Protein chi angle constraints total count: 6 / Protein other angle constraints total count: 0 / Protein phi angle constraints total count: 21 / Protein psi angle constraints total count: 0
代表構造
選択基準: lowest energy
NMRアンサンブル
Average torsion angle constraint violation: 1.1 ° コンフォーマー選択の基準: structures with the least restraint violations, strutures with the lowest energy 計算したコンフォーマーの数: 60 / 登録したコンフォーマーの数: 10 / Maximum lower distance constraint violation: 0 Å / Maximum torsion angle constraint violation: 2 ° / Maximum upper distance constraint violation: 0 Å
NMR ensemble rms
Distance rms dev: 0.043 Å / Distance rms dev error: 0.001 Å