All-(heavy)-atom distances between top 20 most strongly correlated intra-protein as identified by mutual information.

Listed are the smallest atom-atom distances (only heavy atoms, excluding side chains) for the most strongly correlated pairs of residues from the three regions PR-PR, Gag-PR, Gag-Gag ranked by MI in representative structures. For structures with multiple chains, inter-chain distances were computed and the chain and atom combinations of the smallest calculated distance for each pair are listed.aMA: matrix monomer, PDB 2H3F; MA3: matrix trimer, PDB 1HIW; CA: capsid monomer, PDB 3MGE; CA2: capsid dimer, PDB 2M8L; CA5: capsid pentamer, PDB 3P05; CA6: capsid hexamer, PDB 3MGE; NC: nucleocapsid monomer, PDB 2EXF; PR2: protease dimer, PDB 1ODW.bFor PDB files with multiple structural models, the model number with the smallest atom-atom distance is listed.All-(heavy)-atom distances between top 20 most strongly correlated intra-protein as identified by mutual information.

本数据集列出了代表性结构中，按互信息（Mutual Information）排序的三个区域（PR-PR、Gag-PR、Gag-Gag）内相关性最强的残基对的最小原子间距离（仅统计重原子，且排除侧链）。对于包含多条多肽链的结构，已计算其链间距离，并列出每对残基对应的最小计算距离的链与原子组合。
注a：MA为基质单体（matrix monomer），对应蛋白质数据库（Protein Data Bank，PDB）条目2H3F；MA3为基质三聚体，对应PDB条目1HIW；CA为衣壳单体，对应PDB条目3MGE；CA2为衣壳二聚体，对应PDB条目2M8L；CA5为衣壳五聚体，对应PDB条目3P05；CA6为衣壳六聚体，对应PDB条目3MGE；NC为核衣壳单体，对应PDB条目2EXF；PR2为蛋白酶二聚体，对应PDB条目1ODW。
注b：对于包含多个结构模型的PDB文件，已列出原子间距离最小的结构模型编号。
本数据集包含通过互信息识别出的前20个蛋白内最强相关残基对之间的全重原子距离。