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Table 5 Average number of hydrogen bonds between residues D30 and K45 for protease wildtype and mutant complexes

From: Non-active site mutants of HIV-1 protease influence resistance and sensitisation towards protease inhibitors

Drug

Genotype

D30–K45

D30\(^\prime\)–K45\(^\prime\)

L76

V76

L76

V76

ATV

FB15

\(0.068\pm 0.003\)

\(0.52\pm 0.04\)

\(0.07 \pm 0.002\)

\(0.58 \pm 0.02\)

SQV

FB15

\(0.12 \pm 0.01\)

\(0.59\pm 0.02\)

\(0.11 \pm 0.005\)

\(0.62 \pm 0.004\)

ATV

GH9

\(0.07 \pm 0.01\)

\(0.49\pm 0.12\)

\(0.06 \pm 0.002\)

\(0.66 \pm 0.12\)

SQV

GH9

\(0.07 \pm 0.004\)

\(0.46\pm 0.04\)

\(0.01 \pm 4\times 10^{-5}\)

\(0.19 \pm 0.04\)

ATV

RU1

\(0.05 \pm 0.001\)

\(0.43\pm 0.05\)

\(0.04 \pm 1\times 10^{-4}\)

\(0.61 \pm 0.09\)

LPV

RU1

\(0.01 \pm 3\times 10^{-5}\)

\(0.16\pm 0.03\)

\(0.16 \pm 0.006\)

\(0.56 \pm 0.12\)

ATV

iZ2

\(0.16 \pm 0.007\)

\(0.57\pm 0.07\)

\(0.08 \pm 0.002\)

\(0.52 \pm 0.04\)

IDV

iZ2

\(0.1 \pm 0.01\)

\(0.39\pm 0.03\)

\(0.06 \pm 0.002\)

\(0.51\pm 0.07\)

LPV

iZ2

\(0.04 \pm 5\times 10^{-4}\)

\(0.19\pm 0.02\)

\(0.24 \pm 0.01\)

\(0.63\pm 0.02\)

  1. ± Indicates standard error of bond frequency across independent simulations