Table 2 In silico mutagenesis of extended dibasic motif in SARS-CoV-2 spike.

From: An extended motif in the SARS-CoV-2 spike modulates binding and release of host coatomer in retrograde trafficking

Spike hepta-peptide mutation

Change in interaction energy (∆∆G, Rosetta units)1

Predicted binding change with αCOPI-WD40

Lys1269 → Ala

1.9

Weakened

Leu1270 → Ala

0.1

Moderate effect

His1271 → Ala

1.4

Weakened

Tyr1272 → Ala

0.8

Weakened

Thr1273 → Ala

0.1

Moderate to no effect

Thr1273 → Glu

−1.4

Strengthened

  1. 1Rosetta energy unit ΔΔG values correspond approximately to energies in kcal/mol, as seen in previous studies62,65, therefore predicted moderate disruptive substitutions have scores > 0.6 and highly disruptive substitutions have scores > 1.2, while predicted substantial improved binding corresponds to scores < −1.2.
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