Using sequence data to predict the self-assembly of supramolecular collagen structures.

ABSTRACT: Collagen fibrils are the major constituents of the extracellular matrix, which provides structural support to vertebrate connective tissues. It is widely assumed that the superstructure of collagen fibrils is encoded in the primary sequences of the molecular building blocks. However, the interplay between large-scale architecture and small-scale molecular interactions makes the ab initio prediction of collagen structure challenging. Here, we propose a model that allows us to predict the periodic structure of collagen fibers and the axial offset between the molecules, purely on the basis of simple predictive rules for the interaction between amino acid residues. With our model, we identify the sequence-dependent collagen fiber geometries with the lowest free energy and validate the predicte

SUBMITTER: Puszkarska AM 

PROVIDER: S-EPMC9463645 | biostudies-literature | 2022 Aug

REPOSITORIES: biostudies-literature