Open AccessSequence Blockiness Controls the Structure of Polyampholyte Necklaces
Author(s) -
Artem M. Rumyantsev,
A. Johner,
Juan J. de Pablo
Publication year - 2021
Publication title -
acs macro letters
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.966
H-Index - 92
ISSN - 2161-1653
DOI - 10.1021/acsmacrolett.1c00318
Subject(s) - sequence (biology) , chemical physics , necklace , intrinsically disordered proteins , block (permutation group theory) , globular protein , charge (physics) , range (aeronautics) , chemistry , statistical physics , biological system , materials science , crystallography , physics , mathematics , biology , combinatorics , biochemistry , quantum mechanics , composite material
A scaling theory of statistical (Markov) polyampholytes is developed to understand how sequence correlations, that is, the blockiness of positive and negative charges, influences conformational behavior. An increase in the charge patchiness leads to stronger correlation attractions between oppositely charged monomers, but simultaneously, it creates a higher charge imbalance in the polyampholyte. A competition between effective short-range attractions and long-range Coulomb repulsions induces globular, pearl-necklace, or fully stretched chain conformations, depending on the average length of the block of like charges. The necklace structure and the underlying distribution of the net charge are also controlled by the sequence. Sufficiently long blocks allow for charge migration from globular beads (pearls) to strings, thereby providing a nonmonotonic change in the number of necklace beads as the blockiness increases. The sequence-dependent structure of polyampholyte necklaces is confirmed by molecular dynamics simulations. The findings presented here provide a framework for understanding the sequence-encoded conformations of synthetic polyampholytes and intrinsically disordered proteins (IDPs).