Van der Waals interaction

Energy

Distance (Å)

Interaction

Residue

ligand

-

−2.5

3.1

O-H

Met793

1a

−2.5

3.04

O-H

Asp855

−1.55509

2.91

O-H

Asp855

−2.5

2.9

O-H

Thr854

Pro794

−2.5

2.66

O-H

Met793

1b

−0.701673

3.057

N-H

Pro794

Asp855, Pro794

−2.5

2.94

N-H

Asp855

1c

-

−2.5

2.8

O-H

Met793

2a

−1.90438

3.05

O-H

Asp855

−2.5

2.9

O-H

Thr854

−2.5

3

O-H

Lys745

-

−2.5

2.6

O-H

Gln791

2b

−1.3688

2.98

O-H

Met793

−2.5

2.9

O-H

Met793

-

−0.750539

3.04

O-H

Ser720

2c

−2.5

2.86

O-H

Gly719

-

−2.5

2.8

O-H

Met793

3a

−2.5

3.03

O-H

Thr854

−1.56838

2.92

O-H

Asp855

−2.5

3

O-H

Lys745

Gly719

−1.74979

3.16

N-H

Gly724

3b

−1.35909

2.85

O-H

Gly724

−2.5

2.8

N-H

Ser720

Val726, Arg841, Gly721

−2.5

3.1

O-H

Lys745

3c

−0.757545

3.3

O-H

Val726

−2.5

3

O-H

Phe723

−2.5

2.65

O-H

Gly724

−2.5

2.7

O-H

Asp855

-

−2.5

2.8

O-H

Met793

3d

−2.5

2.95

O-H

Thr854

−2.5

2.8

O-H

Lys745

-

−2.5

3

O-H

Phe795

4a

Leu788, Thr790, Lys745, Asp855

−2.5

2.77

O-H

Lys745

4b

−2.5

3.1

N-H

Cys797