igfold2d

IgStrand numbering specification

The IgStrand numbering scheme is the universal residue numbering for the Ig-fold, introduced by Tawfeeq et al., PLOS Comput Biol 2025 (doi:10.1371/journal.pcbi.1012813).

This document is a short reference for the encoding used in IgFold2D templates and assignments. See the paper for the full structural rationale.

Format

A 4-digit code ijxx:

Strand identity (i)

i Strand Sheet
1 A 1 (ABED)
2 B 1
3 C 2 (A’GFCC’C”)
4 C’ 2
5 C” 2
6 D 1
7 E 1
8 F 2
9 G 2

Strand variant (j)

For canonical strands: j = 5. The anchor position of each strand is i5 50:

Anchor Strand Conserved residue type (in IgV)
1550 A E / Q
1850 A’ hydrophobic (special: j=8)
2550 B C (disulfide)
3550 C W
4550 C’ L
5550 C” varied
6550 D varied
7550 E L
8550 F C (disulfide)
9550 G varied

For insertions (non-canonical strands), j deviates from 5:

j Position relative to canonical strand
8 A’ (split A, second half on sheet 2) — unique exception
6 First insertion after the canonical strand (e.g., G+ = 96xx)
7 Second insertion after (e.g., G++ = 97xx)
4 First insertion before (e.g., A− = 14xx)
3 Second insertion before (e.g., A−− = 13xx)

Position within strand (xx)

Centered on 50 (the anchor). Residues N-terminal to the anchor get 49, 48, 47, … ; C-terminal get 51, 52, 53, …. Loop residues continue the numbering of the flanking strand (variable per domain — see topology-rules.md §3).

A strand of 7 residues might span ij47 to ij53 around the anchor ij50.

Examples

Code Meaning
1550 A strand anchor
1849 A’ strand, one residue N-terminal to A’ anchor
1851 A’ strand, one residue C-terminal to A’ anchor
2553 B strand, 3 residues C-terminal to B anchor (still in strand)
9650 G+ strand anchor (insertion after G, e.g. in CD3γ)
1450 A− strand anchor (insertion before A)

Why anchors matter

Anchors at xx50 are structurally conserved positions — defined by backbone hydrogen-bond network across the β-sandwich, not by sequence conservation. They are:

In IgFold2D, anchor cells carry the flag is_anchor = true in the registry.

Reference

Tawfeeq M, Lange J, Tcherepanova I, Hassan R, Lupyan D, Sengupta D, Cachau RE, Olson AJ, Youkharibache P (2025) A universal residue numbering scheme for the Immunoglobulin-fold (Ig-fold). PLOS Comput Biol 21(4): e1012813. doi:10.1371/journal.pcbi.1012813