structures with the least restraint violations, structures with the lowest energy
代表モデル
モデル #1
closest to the average
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要素
#1: タンパク質・ペプチド
ELLVDLL
分子量: 813.979 Da / 分子数: 1 / 由来タイプ: 天然 詳細: This peptide that contained amino acids with configuration d was purified from bacteria. For such peptides, the bacteria are using multienzymatic systems that racemize amino acid and catalyze ...詳細: This peptide that contained amino acids with configuration d was purified from bacteria. For such peptides, the bacteria are using multienzymatic systems that racemize amino acid and catalyze the formation of peptidic bond, as for the synthesis of peptidoglycans for example. 由来: (天然) Bacillus subtilis (枯草菌)
タイプ: Bruker DRX / 製造業者: Bruker / モデル: DRX / 磁場強度: 500 MHz
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解析
NMR software
名称
バージョン
開発者
分類
X-PLOR
3.851
解析
CHARMM
22
精密化
Gifa
4
Marc-Andre Delsuc
データ解析
MOLMOL
データ解析
精密化
手法: distance geometry, simulated annealing / ソフトェア番号: 1 詳細: the structures are based on a total of 49 restraints, 47 are NOE-derived distance constraints and 2 are dihedral angle restraints
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 least restraint violations, structures with the lowest energy 計算したコンフォーマーの数: 50 / 登録したコンフォーマーの数: 24