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Relating interfaces to supramolecular architectures

About

Heligeom aims at characterizing, manipulating and assembling structural units with a screw organization, in which the structural units may be individual proteins or protein hetero-multimers.

Heligeom relies on the structures of monomer-monomer interfaces both for deriving the transformations and for filament construction.

Modes of regular association of RecA monomers created by Heligeom [1].
Screw organization

A regularly organized oligomer is uniquely defined by the geometry of interaction between neighboring subunits (where the subunit can be a peptide, a protein or a protein assembly).
A regular oligomeric assembly necessarily follows a screw organization, and includes helical, ring, or linear arrangements along the axis.
The helix is the general case, consisting of a rotation around an axis coupled to a translation along that axis, and can be characterized using parameters such as the pitch, the number of monomers per turn and the handedness. A cyclic oligomer, or ring, is a special case of a screw assembly in which the pitch is null. The linear (straight) assembly is another special case in which the rotation around the axis is null.

Interfaces

A binding geometry may be characterized by a set of pairs of amino-acid in contact across the interface. Thus different oligomers may be considered to be members of the same family if they share a sufficient fraction of contact pairs.
This ratio is called fNAT (fraction of NATive contacts) due to its historical definition in protein folding and docking studies, but it can be used more generally to characterize the similarity of alternative interfaces.

References

Santuz H, Laurent B, Robert CH, and Prévost C (2025) Heligeom: A web resource to generate, analyze, and visualize filament architectures based on pairwise association geometries of biological macromolecules. Journal of Molecular Biology. https://doi.org/10.1016/j.jmb.2025.169019

[1] Boyer B, Ezelin J, Poulain P, Saladin A, Zacharias M, Robert C H, and Prévost C (2015) An Integrative Approach to the Study of Filamentous Oligomeric Assemblies, with Application to RecA. PLOS ONE 10(3): e0116414. https://doi.org/10.1371/journal.pone.0116414