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. 2021 Nov 15;50:27–81. doi: 10.1016/bs.mim.2021.10.002

Table 2.

The SARS-CoV-2 mutational landscape at the peak of the first wave of the pandemic.a

Protein Site Entropy Δb Str Location Region IUPred2 Anchor2
M 175 –0.136 loop surface ordered 0.2167 0.2647
N 13 0.050 loop surface disordered 0.8781 0.9749
193 –0.073 loop surface disordered 0.7912 0.4214
197 –0.064 loop surface disordered 0.8158 0.4259
203 0.157 loop buried disordered 0.7573 0.5969
204 0.143 loop buried disordered 0.7605 0.621
S 614 –0.220 loop surface ordered 0.1266 0.3609
NSP1 75 –0.016 loop surface ordered 0.3184 0.4256
NSP2 85 0.055 loop surface ordered 0.0771 0.261
212 –0.120 loop surface ordered 0.2748 0.2408
559 –0.151 loop surface ordered 0.1921 0.345
585 –0.163 loop surface ordered 0.4245 0.4187
NSP3 58 –0.101 helix surface ordered 0.0414 0.2217
153 –0.020 loop surface disordered 0.8074 0.9536
NSP4 308 –0.071 loop surface TM 0.0004 0.0003
NSP5 15 0.114 helix surface ordered 0.0813 0.0843
NSP6 37 –0.121 loop surface ordered 0.0003 0
NSP12 323 –0.222 helix surface ordered 0.0137 0.0299
NSP13 504 –0.226 loop surface ordered 0.115 0.4329
541 –0.231 loop surface ordered 0.3053 0.3068
3a 13 0.082 loop surface ordered 0.0587 0.029
57 0.066 helix pore TM 0.001 0.0014
196 –0.072 loop surface ordered 0.115 0.2522
251 –0.217 loop surface disordered 0.4703 0.4235
8 24 0.105 helix surface ordered 0.0395 0.004
62 –0.015 loop surface ordered 0.1635 0.0205
84 –0.259 loop surface ordered 0.0405 0.0098
a

An examination of relative entropy delta values and the structure (Str: loop, helix, strand), location (surface, buried, pore) and region [ordered, disordered, transmembrane (TM)] involving mutation sites are provided together with IUPred2 scores of intrinsic disorder and Anchor2 estimates of binding propensity. IUPred2 and Anchor2 scores above 0.5 support significant intrinsic disorder and binding energy of that amino acid site, respectively. Data from Tomaszewski et al. (2020).

b

Negative values of relative entropic delta imply entropy reversals that result in increased fitness and trends towards fixation. Positive values imply entropy expansion fostering trends towards site diversification. Rows in bold are sites that have been confirmed as positively selected and exhibiting population level expansions as of March 2021 (from table 2, Singh et al., 2021).