Table 7.
# | Model name | -NH…acceptor of backbone | -NH…acceptor of side chain | Total intra- |
Total inter- |
|||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
intra- | inter- | intra- | inter- | |||||||||||
C1=O | C2=O |
*C4-O- C5-O- |
C1=O | C2-O- | C2=O |
*C4-O- C5-O- |
C3-O- | C3=O | C3-O− | C3-O | ||||
1 | pc13-0-0 | 1.0 | 0.6 | - | 1.7 | - | 1.2 | - | - | 0.4 | - | 5.4 | 2.0 | 8.3 |
2 | pc12-2-0-ch4 | 2.7 | 0.1 | - | 1.4 | - | 0.8 | - | - | 1.7 | 0.4 | - | 4.9 | 2.2 |
2 | pc12-2-0-ch4prp | 0.8 | 0.6 | - | 0.6 | - | 0.4 | - | - | 1.8 | 0.3 | - | 3.5 | 1.0 |
4 | pc9-2-2-ch4 | - | - | 1.2 | 1.1 | - | 0.4 | 0.5 | 0.1 | 1.7 | 0.2 | 1.5 | 3.2 | 3.5 |
10 | pc10-2-2-ch4 | 1.0 | 1.1 | - | - | - | 2.4 | 1.6 | 0.1 | - | 0.1 | 0.6 | 2.3 | 4.6 |
14 | pc12-1-1-ch2 | 1.9 | - | 0.2 | - | 0.9 | 1.6 | - | - | 0.9 | - | - | 3.0 | 2.5 |
17 | pc11-1-1-ch2 | - | - | 2.0 | 1.0 | 0.2 | - | - | - | 0.2 | 0.2 | 2.2 | 2.4 | 3.4 |
C4 represents all carbons of the repeat motif of PEG1