Influence of Charge Density and Patterning on the Conformations of FG Nups

The primary feature that distinguishes eukaryotes from prokaryotes is the presence of a nuclear envelope separating the cytoplasm from the nucleus. The Nuclear Pore Complex

(NPC) perforates this envelope and facilitates the bidirectional transport of molecules across it. Although it is well established that the high selectivity of NPC is due to the presence of

intrinsically disordered proteins called the FG Nups along the transport channel, the underlying mechanism of transport is not yet fully understood. Previous research has

investigated the sequence-function relationship of the FG Nups. In this study, we focus on analysing the sequences of FG Nups to observe charge decorations and specific patterns that

may be exclusive to Nups. This sequence analysis, we believe, will reveal characteristic features of the Nups and will provide more insight into understanding the sequence-function

relationships of the FG Nups. Upon analysing data obtained from previous works, we noticed a direct relation between the Stokes radius of the Nups and the net charge present on them. Next, we aimed to observe the effect of charge placement along the sequence on the overall compactness of the structure. Molecular dynamics simulations revealed an inverse

relationship between the compactness of the protein structures and the separation of opposite charges. Further, sequence analysis has revealed the presence of a few patterns in the sequence distribution that might be unique to Nups. We aim to look into these patterns closely and investigate their role in the conformations and functions of the FG Nups.