Table 2 PLIP results of the mutant-type structure

1

3017 A

LYS

3.96

12,454

8881

Hydrogen Bonds

Index

Residue

AA

Distance H-A

Distance D-A

Donor Angle

Donor Atom

Acceptor Atom

1

2988 A

SER

2.09

3.05

170.60

12,491 [O3]

8576 [O3]

2

3017 A

LYS

2.42

3.37

152.05

8883 [N3+]

12,444 [O2]

3

3017 A

LYS

2.71

3.61

154.02

12,430 [O3]

8888 [O2]

4

3018 A

SER

1.86

2.78

157.67

8893 [O3]

12,429 [O2]

5

3019 A

LYS

2.55

3.47

154.63

8897 [Nam]

12,430 [O3]

6

3026 A

GLN

1.95

2.89

158.98

8978 [Nam]

12,462 [O3]

7

3026 A

GLN

2.43

3.33

153.67

12,462 [O3]

8977 [O2]

8

3084 A

LYS

2.83

3.67

138.37

9544 [N3+]

12,316 [O2]

9

3106 A

TRP

2.05

3.03

170.40

9754 [Nar]

12,373 [O3]

π-Cation Interactions

Index

Residue

AA

Distance

Offset

Ligand Group

Ligand Atoms

1

3017 A

LYS

3.76

1.51

Aromatic

12,472, 12,473, 12,475, 12,477, 12,479, 12,481

Salt Bridges

Index

Residue

AA

Distance

Ligand Group

Ligand Atoms

1

2971 A

LYS

3.61

Phosphate

12,460, 12,460, 12,459, 12,461, 12,462, 12,463

2

3104 A

LYS

4.09

Phosphate

12,364, 12,364, 12,363, 12,365, 12,366, 12,367

3

3132 A

LYS

4.34

Phosphate

12,332, 12,332, 12,331, 12,333, 12,334, 12,335