Table 5.
Comp | Protein | Sugar | Sugar-Peptidea | |||||||
---|---|---|---|---|---|---|---|---|---|---|
O..HN | O4..HO3 | O5..HO6 | O2..HO3 | O1..HN | O1..HNT | Osug..HN | HO6..O | O5..HNT | HO2..O1 | |
1 | 0.037 | 0.143 | 0.036 | --- | 0.178 | 0.020 | 0.002 | --- | --- | --- |
2 | --- | 0.133 | 0.045 | --- | 0.190 | --- | 0.001 | --- | --- | --- |
3 | 0.103 | 0.136 | 0.034 | --- | 0.133 | 0.031 | --- | 0.022 | 0.034 | --- |
4 | --- | 0.148 | 0.079 | --- | 0.237 | 0.014 | 0.052 | 0.093 | 0.004 | --- |
5 | 0.133 | 0.020 | 0.102 | 0.039 | 0.120 | 0.052 | --- | 0.055 | 0.072 | --- |
6 | --- | 0.022 | 0.207 | 0.038 | 0.228 | 0.029 | --- | 0.240 | 0.018 | --- |
7 | 0.120 | 0.018 | 0.092 | --- | 0.060 | 0.055 | 0.036 | 0.011 | 0.060 | --- |
8 | --- | 0.016 | 0.250 | --- | 0.284 | 0.019 | 0.054 | 0.331 | 0.002 | --- |
9 | 0.086 | 0.031 | 0.110 | 0.106 | 0.055 | 0.025 | --- | --- | --- | --- |
10 | --- | 0.030 | 0.108 | 0.107 | 0.166 | 0.003 | --- | --- | --- | --- |
11 | 0.216 | 0.020 | 0.089 | 0.153 | 0.028 | 0.126 | --- | 0.003 | 0.136 | 0.060 |
12 | --- | 0.019 | 0.212 | 0.157 | 0.227 | 0.023 | --- | 0.195 | 0.016 | 0.110 |
13 | 0.142 | 0.132 | --- | 0.036 | 0.087 | 0.036 | --- | --- | --- | 0.113 |
14 | --- | 0.142 | --- | 0.034 | 0.227 | 0.003 | --- | --- | --- | 0.127 |
For the sugar-Peptide H-bonds the sugar atom is listed first followed by the peptide atom in the heading.
H-bond occupancies > 0.1 are presented in bold letters.