溶液NMR / AUTOMATED METHODS WERE USED FOR BACKBONE CHEMICAL SHIFT ASSIGNMENT, ITERATIVE NOE REFINEMENT. FINAL STRUCTURES WERE OBTAINED BY MOLECULAR DYNAMICS IN EXPLICIT SOLVENT, AUTOMATED METHODS WERE USED FOR BACKBONE CHEMICAL SHIFT ASSIGNMENT, ITERATIVE NOE REFINEMENT. FINAL STRUCTURES WERE OBTAINED BY MOLECULAR DYNAMICS IN EXPLICIT SOLVENT
Eccles, C., Guntert, P., Billeter, M., Wuthrich, K.
データ解析
GARANT
2.1
C. Bartels
データ解析
CARA
1.8.4
Keller, R.
データ解析
CYANA
3.1
Guntert, P.
精密化
精密化
手法: AUTOMATED METHODS WERE USED FOR BACKBONE CHEMICAL SHIFT ASSIGNMENT, ITERATIVE NOE REFINEMENT. FINAL STRUCTURES WERE OBTAINED BY MOLECULAR DYNAMICS IN EXPLICIT SOLVENT, AUTOMATED METHODS WERE ...手法: AUTOMATED METHODS WERE USED FOR BACKBONE CHEMICAL SHIFT ASSIGNMENT, ITERATIVE NOE REFINEMENT. FINAL STRUCTURES WERE OBTAINED BY MOLECULAR DYNAMICS IN EXPLICIT SOLVENT, AUTOMATED METHODS WERE USED FOR BACKBONE CHEMICAL SHIFT ASSIGNMENT, ITERATIVE NOE REFINEMENT. FINAL STRUCTURES WERE OBTAINED BY MOLECULAR DYNAMICS IN EXPLICIT SOLVENT ソフトェア番号: 1 詳細: CCL19 STRUCTURES ARE BASED ON A TOTAL OF 2481 NOE CONSTRAINTS ( 1559 INTRA, 398 SEQUENTIAL, 171 MEDIUM, 353 LONG RANGE) AND 85 PHI AND PSI DIHEDRAL ANGLE CONSTRAINTS., CCL19 STRUCTURES ARE ...詳細: CCL19 STRUCTURES ARE BASED ON A TOTAL OF 2481 NOE CONSTRAINTS ( 1559 INTRA, 398 SEQUENTIAL, 171 MEDIUM, 353 LONG RANGE) AND 85 PHI AND PSI DIHEDRAL ANGLE CONSTRAINTS., CCL19 STRUCTURES ARE BASED ON A TOTAL OF 2481 NOE CONSTRAINTS ( 1559 INTRA, 398 SEQUENTIAL, 171 MEDIUM, 353 LONG RANGE) AND 85 PHI AND PSI DIHEDRAL ANGLE CONSTRAINTS.
NMR constraints
NOE constraints total: 2481 / NOE intraresidue total count: 1559 / NOE long range total count: 353 / NOE medium range total count: 171 / NOE sequential total count: 398
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: target function / 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