structures with acceptable covalent geometry, structures with favorable non-bond energy, structures with the least restraint violations, structures with the lowest energy, target function
タイプ: Bruker AMX / 製造業者: Bruker / モデル: AMX / 磁場強度: 500 MHz
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解析
NMR software
名称
開発者
分類
UXNMR
collection
XEASY
Bartels
データ解析
DYANA
Guentert
精密化
X-PLOR
Brunger
精密化
精密化
手法: torsion angle dynamics (DYANA), energy minimisation (XPLOR) ソフトェア番号: 1 詳細: the structures are based on a total of 120 intra-residue, 172 sequential, 108 medium range, 190 long range NOE-derived distance restraints, 9 distances restraints corresponding to the 3 ...詳細: the structures are based on a total of 120 intra-residue, 172 sequential, 108 medium range, 190 long range NOE-derived distance restraints, 9 distances restraints corresponding to the 3 disulfide bridge, 100 dihedral angle restraints, and 13 distance restraints for hydrogen bonds
代表構造
選択基準: lowest target function
NMRアンサンブル
コンフォーマー選択の基準: structures with acceptable covalent geometry, structures with favorable non-bond energy, structures with the least restraint violations, structures with the ...コンフォーマー選択の基準: structures with acceptable covalent geometry, structures with favorable non-bond energy, structures with the least restraint violations, structures with the lowest energy, target function 計算したコンフォーマーの数: 40 / 登録したコンフォーマーの数: 18