Table 4 Intermolecular hydrogen bonds observed in the crystal structure of the peptide.

Type

Donor (D)

Acceptor (A)

D.A (Å)

H...A (Å)

D-H...A (°)

Symmetry

Lateral

N1A

O11'B

2.807

1.99

159

x+1, y-1, z

Leu-Leu interface

Head-to-tail

N2A

O10'A

2.737

2.09

132

x, y, z+1

N12A

O1A

3.106

2.26

170

x+1,y, z-1

Tail-to-tail

N12A

O9'B

2.877

2.04

165

x+1,y, z-1

Lateral

C3D2A

O6'B

3.224

2.36

154

ΔPhe-ΔPhe

C6D2A

O3'B

3.260

2.38

158

Interface

C9D2A

O1B

3.370

2.80

120

C2AA

O8'B

3.304

2.60

129

x+1, y, z

Gly-Gly

C5AA

O5'B

3.215

2.54

127

x+1, y, z

Interface

C8AA

O2'B

3.368

2.71

126

x+1,y,z

Solvent

N3A

O1W

2.876

2.03

166

C9D2A

O2W

3.426

2.50

176

Type

Donor (D)

Acceptor (A)

D.A (Å)

H...A (Å)

D-H...A (°)

Symmetry

Lateral

N1B

O11'A

2.771

1.95

159

x-1, y+1, z

Leu-Leu interface

Head-to-tail

N2B

O10'B

2.854

2.02

165

x, y, z-1

N12B

O1B

3.065

2.22

168

x-1, y, z+1

Tail-to-tail

N12B

O9'A

3.009

2.19

160

x-1, y, z+1

Lateral

C3D2B

O6'A

3.433

2.57

154

ΔPhe-ΔPhe

C6D2B

O3'A

3.405

2.53

157

Interface

C9D2B

O1A

3.508

2.98

118

Gly-Gly

C5AB

O5'A

3.271

2.66

121

x-1, y, z

Interface

C8AB

O2'A

3.475

2.89

120

x-1, y, z

Solvent

N3B

O2W

2.922

2.08

168

C9D2B

O1W

3.417

2.51

166