NMR software | 名称 | バージョン | 開発者 | 分類 |
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CcpNmr | 2.1 | CCPNデータ解析 | CcpNmr | 2.1 | CCPNchemical shift assignmentCcpNmr | 2.1 | CCPNpeak pickingTopSpin | 2.1 | Bruker BiospincollectionTopSpin | 2.1 | Bruker Biospin解析 | CYANA | 3 | Guntert, Mumenthaler and Wuthrich構造決定 | CNS | 2.1 | Brunger, Adams, Clore, Gros, Nilges and Read精密化 | CYANA | | Guntert, Mumenthaler and Wuthrich精密化 | | | | | | | | | | | |
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精密化 | 手法: simulated annealing, torsion angle dynamics / ソフトェア番号: 1 詳細: Structures were calculated using the scripts from the RECOORD database. |
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NMR constraints | NOE constraints total: 107 / NOE intraresidue total count: 63 / NOE long range total count: 6 / NOE medium range total count: 4 / NOE sequential total count: 34 / Hydrogen bond constraints total count: 16 / Protein chi angle constraints total count: 6 / Protein other angle constraints total count: 0 / Protein phi angle constraints total count: 15 / Protein psi angle constraints total count: 15 |
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代表構造 | 選択基準: lowest energy |
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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: 50 / 登録したコンフォーマーの数: 20 / 代表コンフォーマー: 1 |
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