Table 6.
Hydrogen Bond Observed in the NMR structures of 3-6.a
| Molecule | No.b | Donor | Acceptor | Distance (Å)c | Angle (deg)d |
|---|---|---|---|---|---|
| 1e | 7 | Gly3 HN | Tyr1 O | 2.05 ± 0.11 | 137.8 ± 8.1 |
| 5 | Trp8 HN | Met5 O | 2.04 ± 0.02 | 132.3 ± 1.1 | |
| 9 | Bzl9 HN f | Pro6 O | 2.16 ± 0.11 | 158.5 ± 1.9 | |
|
| |||||
| 3 | 10 | Phe4 HN | DAla2 O | 2.06 ± 0.09 | 144.1 ± 5.4 |
| 7 | Gly3 HN | Tyr1 O | 2.03 ± 0.08 | 142.8 ± 7.2 | |
| 16 | Leu7 HN | Ser5 O | 1.96 ± 0.05 | 132.1 ± 6.5 | |
| 13 | Trp8 HN | Ser5 O | 2.19 ± 0.12 | 151.4 ± 7.6 | |
| 5 | Glc HO4 | Glc O6 | 2.11 ± 0.02 | 127.3 ± 3.1 | |
|
| |||||
| 4 | 8 | Nle5 HN | Gly3 O | 2.08 ± 0.16 | 138.3 ± 10.7 |
| 8 | Bzl9 HNe | Nle5 O | 1.97 ± 0.12 | 168.6 ± 9.5 | |
| 7 | Bzl9 HN | Ser6 O | 2.30 ± 0.12 | 132.8 ± 4.2 | |
| 11 | Glc HO2 | Bzl9 Ff | 2.33 ± 0.05 | 150.6 ± 10.9 | |
| 6 | Glc H6 | Glc O4 | 2.19 ± 0.01 | 130.1 ± 0.3 | |
| 7 | Glc HO4 | Glc O6 | 2.12 ± 0.03 | 129.8 ± 1.5 | |
|
| |||||
| 5 | 6 | Trp8 HN | Pro6 O | 2.15 ± 0.13 | 144.8 ± 4.1 |
| 6 | Glc HO3 | Gly3 O | 2.25 ± 0.13 | 133.7 ± 6.3 | |
| 7 | Glc H6 | Phe4 O | 1.96 ± 0.06 | 155.1 ± 9.3 | |
| 7 | Glc HO3 | Glc O1 | 2.28 ± 0.07 | 128.6 ± 4.5 | |
|
| |||||
| 6 | 13 | Tyr1 HN | Nle5 O | 1.99 ± 0.04 | 137.4 ± 3.0 |
| 20 | Phe4 HN | DAla2 O | 2.22 ± 0.11 | 146.6 ± 2.3 | |
| 5 | Glc HO4 | Glc O6 | 2.22 ± 0.06 | 129.3 ± 1.7 | |
a
The hydrogen bonds which were observed in more than five structures are listed.
b
The number of structures of the final 20 for which the listed hydrogen bond is observed.
c
The distance is the mean proton-acceptor atom distance (± SD) in the structures for which a hydrogen bond is observed.
d
The angle is the mean angle (± SD) in the structures for which a hydrogen bond is observed.
e
Reference.20
f
Amide proton of C-terminal benzyl moiety.f Fluorine atom of C-terminal benzyl moiety.