Skip to main content

Table 2 Hydrogen bonds found in the last 3-ns of the simulation

From: Understanding the molecular basis of EGFR kinase domain/MIG-6 peptide recognition complex using computational analyses

Donor

Acceptor

Distance (Å) ± SD

Occupancy (%)

Arg908-NH

Gln350-O

2.916 (0.12)

99.87

Tyr341-OH

Gln911-O

2.838 (0.17)

99.27

Gln350-NH

Arg908-O

2.907 (0.13)

99.20

Ile929-NH

Lys357-O

2.918 (0.15)

98.53

Asn343-NH

Gly959-O

2.994 (0.16)

97.73

Ser360-NH

Glu904-O

2.841 (0.12)

96.83

Gln911-NE2-HE21

Ser337-O

2.954 (0.16)

96.10

Arg908-NH2-HH22

Tyr358-O

2.969 (0.16)

92.73

Asn343-ND2-HD21

Thr885-O

3.063 (0.18)

89.57

Phe352-NH

Gly906-O

3.077 (0.18)

87.43

Gln911-NH

Gln350-OE1

3.034 (0.20)

79.33

Thr349-OG1-HG1

Glu907-OE1

2.697 (0.13)

69.90

Ser361-NH

Glu904-O

3.112 (0.20)

69.37

Ile917-NH

Ser337-O

3.044 (0.17)

51.27

Thr349-OG1-HG1

Glu907-OE2

2.703 (0.18)

24.33

  1. The distance cut-off was 3.5 Å and angle cut-off was 120°.