COMPOUND THE STRUCTURE OF ONE SYMMETRICAL HALF OF THE SELF-COMPLEMENTARY (5'-D(*GP*TP*AP*CP*(NCX)P* ...COMPOUND THE STRUCTURE OF ONE SYMMETRICAL HALF OF THE SELF-COMPLEMENTARY (5'-D(*GP*TP*AP*CP*(NCX)P* AP*CP*GP*CP*GP*TP*TP*GP*TP*AP*C)-3')2 DUPLEX IS PROVIDED. THUS IN THE EXPERIMENT, CHAINS A AND B HAD THE SAME SEQUENCE
Text: Model 1 is the best representative conformer based on lowest total energy. Model 2 is the best representative conformer based on restraint energy. Models 1 and 2 represent two different ...Text: Model 1 is the best representative conformer based on lowest total energy. Model 2 is the best representative conformer based on restraint energy. Models 1 and 2 represent two different stacking configurations of the nitroindole base.
タイプ: Bruker AVANCE / 製造業者: Bruker / モデル: AVANCE / 磁場強度: 600 MHz
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解析
NMR software
名称
バージョン
開発者
分類
TopSpin
1.3
Brukerbiospincorporation
collection
NMRPipe
2004
F. Delaglio, S. Grzesiek, G. Zhu, G.W. Vuister, J. PfeiferandA. Bax
解析
Sparky
3.11
T.D. GoddardandD.G. Kneller
データ解析
Amber
8
D.A. Caseetal.
精密化
精密化
手法: simulated annealing / ソフトェア番号: 4 詳細: The structures were determined using simulated annealing using molecular dynamics with 440 NOE distance restraints (144 intra-residue and 296 inter-residue), 16 hydrogen bonding distance ...詳細: The structures were determined using simulated annealing using molecular dynamics with 440 NOE distance restraints (144 intra-residue and 296 inter-residue), 16 hydrogen bonding distance restraints and 167 dihedral restraints.
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 least restraint violations,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: 28