Entry

Main protease 1IYL

Main protease 2Y7L

Binding

affinity

H-bond (no.)

Hydrophobic bond (no.)

Interaction type

Binding

affinity

H-bond (no.)

Hydrophobic bond (no.)

Interaction type

1

−6.5

5

1

H, PS

−6.1

−

1

PPT

2

−8.8

4

7

H, PS, PPT, PA

−9.0

−

6

PPS, PA

3

−9.8

2

15

H, C, PS, PPS, PPT, A, PA

−8.6

3

10

H, C, PS, A, PA

4

−9.7

1

14

PS, PPS, PPT, A, PA

−9.3

3

12

H, C, PS, PPS, A, PA

5

−9.2

−

11

PS, PPT, A, PA

−8.1

3

7

H, PS, A, PA

6

−8.7

1

13

H, PS, PPS, PPT, A, PA

−8.5

−

14

A

7

−11.2

1

11

H, PS, PPS, PPT, A, PA

−9.7

−

8

PS, PPS, A, PA

Fluconazole

−7.9

5

6

H, C, PPT, PA

−7.0

4

4

H, C, PS, PPS, PA, PPT

Voriconazole

−8.3

5

8

H, C, PPT, PPS, PA

−7.7

3

4

H, C, PPS, PA