minimized average structure, lowest energy, fewest violations, closest to the average
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要素
#1: タンパク質・ペプチド
Midline-1 / Mean line / Tripartite motif protein 18 / Putative transcription factor XPRF / Midin / RING finger protein 59 / ...Tripartite motif protein 18 / Putative transcription factor XPRF / Midin / RING finger protein 59 / Midline 1 RING finger protein
Delaglio, F., Grzesiek, S., Vuister, G.W., Zhu, G. Pfeifer, J., Bax, A.
解析
Sparky
3.11
Goddard, T.D., Kneller, D.G.
データ解析
TALOS
Cornilescu, G. Delaglio, F., Bax, A.
データ解析
CYANA
2.1
Guentert, P.
精密化
精密化
手法: torsion angle dynamics, low target function / ソフトェア番号: 1 詳細: A total of 200 random structures were calculated with CYANA2.1 using a fast torsion angle dynamics algorithm and the best structures were selected based on their low target function (less 1), ...詳細: A total of 200 random structures were calculated with CYANA2.1 using a fast torsion angle dynamics algorithm and the best structures were selected based on their low target function (less 1), no NOE violation less than 0.2 Ang, vdw < 0.25, dihedral <3o.
代表構造
選択基準: minimized average structure, lowest energy, fewest violations, 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 lowest energy 計算したコンフォーマーの数: 200 / 登録したコンフォーマーの数: 16