NO NOE DISTANCE VIOLATION GREATER THAN 0.35 A, NO DIHEDRAL ANGLE RESTRAINT VIOLATION GREATER THAN 5 DEG, RMS DIFFERENCE FOR BOND DEVIATIONS FROM IDEALITY LESS THAN 0.01 A, RMS DIFFERENCE FOR ANGLE DEVIATIONS FROM IDEALITY LESS THAN 2 DEG, LOWEST TOTAL ENERGY
代表モデル
モデル #20
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要素
#1: タンパク質
PROTEIN (DIPHTHERIATOXINREPRESSOR) / DTXR(130-226)
手法: DISTANCE GEOMETRY, SIMULATED ANNEALING CALCULATIONS / ソフトェア番号: 1 詳細: REFINEMENT DETAILS CAN BE FOUND IN THE JRNL CITATION ABOVE.
NMRアンサンブル
コンフォーマー選択の基準: NO NOE DISTANCE VIOLATION GREATER THAN 0.35 A, NO DIHEDRAL ANGLE RESTRAINT VIOLATION GREATER THAN 5 DEG, RMS DIFFERENCE FOR BOND DEVIATIONS FROM IDEALITY LESS ...コンフォーマー選択の基準: NO NOE DISTANCE VIOLATION GREATER THAN 0.35 A, NO DIHEDRAL ANGLE RESTRAINT VIOLATION GREATER THAN 5 DEG, RMS DIFFERENCE FOR BOND DEVIATIONS FROM IDEALITY LESS THAN 0.01 A, RMS DIFFERENCE FOR ANGLE DEVIATIONS FROM IDEALITY LESS THAN 2 DEG, LOWEST TOTAL 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: 20