LOWEST TOTAL ENERGY (A WEIGHTED SUM OF CONFORMATIONAL ENERGY AND RESTRAINT ENERGY)
代表モデル
モデル #1
lowest energy
-
要素
#1: RNA鎖
34-MER
分子量: 10898.495 Da / 分子数: 1 / 断片: DOMAIN IV, LOOP B / 変異: SEQUENCE VARIANT WITH THE AUUCCU BULGE / 由来タイプ: 合成 詳細: RNA WAS PREPARED BY IN VITRO TRANSCRIPTION WITH T7 RNA POLYMERASE
1mM of RNA labeled in residues A and U with 13C, 15N, 25mM NaCl, 25mM sodium phosphate buffer (pH 6.5), 5% (weight/volume) of C12E6/n-hexanol mixture (molar ratio 0.64), D2O
手法: FULL MATRIX RELAXATION ANALYSIS OF NOE, RANDOM ERROR ANALYSIS OF NOE, SIMULATED ANNEALING USING RESTRAINED MOLECULAR DYNAMICS ソフトェア番号: 1 詳細: STRUCTURES ARE REFINED BASED ON 614 NOE-DERIVED DISTANCES AND 26 RESIDUAL DIPOLAR COUPLINGS
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: LOWEST TOTAL ENERGY (A WEIGHTED SUM OF CONFORMATIONAL ENERGY AND RESTRAINT 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