Table 2 Change of the binding free energy (\(\Delta \Delta G\)) of inhibitors upon mutation

APV

M46I

\(-0.35 \pm 0.4\)

3.14–7.33^a

13.13\(^{77.54}_{0.3}\)

IDV

M46I

\(-0.34 \pm 0.72\)

3.67–7.33

12.69\(^{75.84}_{0.27}\)

APV

I50L

\(-0.64 \pm 0.41\)

0.29–1^a

0.74\(^{3.87}_{0.03}\)

IDV

I50L

\(-0.87 \pm 0.51\)

0.08–0.5

0.62\(^{3.17}_{0.03}\)

APV

I84V

\(2.06 \pm 0.47\)

2.56–4.67^a

33.75\(^{169.66}_{1.25}\)

IDV

I84V

\(1.13 \pm 0.57\)

1.4–2.13

7.23\(^{42.3}_{0.11}\)

LPV

I84V

\(1.25 \pm 0.39\)

3.88–4.81

6.09\(^{33.62}_{0.17}\)

SQV

I84V

\(0.56 \pm 0.41\)

2.08–2.85

1.33\(^{6.73}_{0.05}\)

APV

N88S

\(-0.97 \pm 0.7\)

0.1^a

0.3\(^{2.14}_{0.001}\)

IDV

N88S

\(1.41 \pm 0.95\)

2.27

41.12\(^{281.92}_{0.11}\)