Table 2. H Bonds between Residues on Fmoc-Dipeptides and Water Moleculesa.
Fmoc-AA |
||||||
---|---|---|---|---|---|---|
total | Fmoc | Ala-mid-C=O | Ala-term-COOH | Ala-mid-NH | Ala-term-NH | |
number | 408.1 | 100.9 | 70.5 | 168.9 | 20.7 | 47.1 |
percentage | 100.0 | 24.7 | 17.3 | 41.4 | 5.1 | 11.6 |
Fmoc-ALac |
||||||
---|---|---|---|---|---|---|
total | Fmoc | Ala-C=O (ester) | Lac-COOH | Ala-NH | Lac-O (ester) | |
number | 331.3 | 93.9 | 44.1 | 165.1 | 26.4 | 1.8 |
percentage | 100.0 | 28.4 | 13.3 | 49.8 | 8.0 | 0.5 |
Hydrogen bonds were calculated as interactions between water molecules and groups of interest, with an donor–acceptor distance of ≤3.5 Å and an interaction angle of ≤30°.