タイプ: Bruker DRX / 製造業者: Bruker / モデル: DRX / 磁場強度: 800 MHz
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解析
NMR software
名称
バージョン
開発者
分類
CYANA
2.1
Guntert, MumenthalerandWuthrich
chemicalshiftassignment
CYANA
2.1
Guntert, MumenthalerandWuthrich
構造決定
TALOS
Cornilescu, DelaglioandBax
collectionofdihedralangles
Amber
9
Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... andKoll
精密化
NMRDraw
Delaglio, Grzesiek, Vuister, Zhu, PfeiferandBax
解析
Sparky
Goddard
peakpicking
Sparky
Goddard
chemicalshiftassignment
NMRPipe
Delaglio, Grzesiek, Vuister, Zhu, PfeiferandBax
解析
精密化
手法: molecular dynamics / ソフトェア番号: 1
NMR constraints
NOE constraints total: 480 / NOE intraresidue total count: 209 / NOE long range total count: 0 / NOE medium range total count: 74 / NOE sequential total count: 197 / Hydrogen bond constraints total count: 9 / Protein chi angle constraints total count: 0 / Protein other angle constraints total count: 0 / Protein phi angle constraints total count: 22 / Protein psi angle constraints total count: 22
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: 100 / 登録したコンフォーマーの数: 20