FPS analysis - input - input data

These files include the following input for the FPS procedure:<br>1. dye_positions.txt - a table that lists the unique name of the dye attachment point, the structure subunit (template or nontemplate strand, pdb files) to which the dye is conjugated, if it is an acceptor or a donor (A/D), the coarse-grained model used to calculate the dye AV, the dye coarse-grained dimensions (Linker length and width and ellipsoidal radii of fluorophore) and the atom ID (in the PDB file of the subunit) to which the dye is conjugated.2. distances_1_dwells.txt - a table that lists the D-A pairs and their distances, for the distance set classified as <i>RPo state</i>: the unique name of the acceptor attachment point, the unique name of the donor attachment point, the experimental mean D-A distance, the experimental D-A distance error lower boundary and the experimental D-A distance error upper boundary3. distances_2_dwells.txt - a table that lists the D-A pairs and their distances, for the distance set classified as <i>scrunched RPo state</i>The experimental mean D-A distances are shown in Fig. 4本数据集包含FPS流程所需的以下输入文件：<br>1. dye_positions.txt：该表格列出了染料附着点的唯一名称、染料结合的结构亚基（模板链或非模板链，对应PDB（Protein Data Bank）文件）、染料的供体/受体类型（A/D）、用于计算染料各向异性值（dye AV）的粗粒度模型、染料粗粒度结构参数（包括连接臂长度、宽度及荧光团椭球半径），以及染料所结合的亚基PDB文件中的原子ID。<br>2. distances_1_dwells.txt：该表格列出了归类为<i>RPo状态（RPo state）</i>的距离集合对应的供体-受体（D-A）对及其距离数据，具体包括受体附着点唯一名称、供体附着点唯一名称、实验测得的D-A平均距离、实验D-A距离误差下限与实验D-A距离误差上限。<br>3. distances_2_dwells.txt：该表格列出了归类为<i>紧缩型RPo状态（scrunched RPo state）</i>的距离集合对应的供体-受体（D-A）对及其距离数据。<br>实验测得的D-A平均距离已在图4中展示。