手法: distance geometry / ソフトェア番号: 1 詳細: THE COORDINATES FOR THE 25 MODELS WHICH WERE SUBMITTED TO SCIENCE REPRESENT THE BEST-FIT SUPERPOSITION OF THE BACKBONE C, CA AND N ATOMS OF HIV-1 NUCLEOCAPSID PROTEIN (FROM LYS 3 - GLU 51) ...詳細: THE COORDINATES FOR THE 25 MODELS WHICH WERE SUBMITTED TO SCIENCE REPRESENT THE BEST-FIT SUPERPOSITION OF THE BACKBONE C, CA AND N ATOMS OF HIV-1 NUCLEOCAPSID PROTEIN (FROM LYS 3 - GLU 51) AND ALL HEAVY ATOMS OF SL3 RNA RECOGNITION ELEMENT (FROM C 4 - G17). THE STRUCTURES WERE GENERATED WITH A TOTAL OF 719 EXPERIMENTAL DISTANCE RESTRAINTS WITH THE USE OF THE PROGRAM DYANA. HYDROGEN BOND RESTRAINTS WERE USED TO IMPROVE CONVERGENCE OF THE STRUCTURES, BUT NOT ALTER THE GLOBAL FOLD.
NMRアンサンブル
コンフォーマー選択の基準: LEAST TOTAL PENALTY / 計算したコンフォーマーの数: 800 / 登録したコンフォーマーの数: 25