AA donor

Acceptor ligand

δ (Å)

θ1

θ2

N/ALA456

S/3S

3.303

125.60

94.16

N/ALA456

Se/3Se

3.340

165.25

98.30

O/VAL455

Se/3Se

3.272

141.30.

113.22

O/TYR61

Se/9Se

3.128

145.40

89.36

O/TYR61

Se/9Se

3.299

147.46

90.49

O/TYR61

Se/9Se

3.155

137.45

88.43