Table 1.
Intensity Ratio for Water-Protein and Lipid-Protein Correlations.
| Amino Acid | MD Ratioa | NMR Ratiob | NMR Confidencec |
|---|---|---|---|
| A | 3.7 | 2.4 | 0.3 |
| EQR | 8.3 | 3.7 | 0.6 |
| K | 6.8 | 3.7 | 0.8 |
| L | 3.0 | 3.1 | 0.4 |
| V | 1.2 | 2.4 | 0.5 |
a
Calculated as the ratio of CB carbons within 4.0 Å of water or lipid over the last 0.75 ns of a 4.5 ns MD simulation of MSP Nanodiscs
b
Calculated as the ratio of 13C-13C crosspeaks to lipid and water in the 1H-13C-13C 3D
c
Calculated as Δ = ( (1 / Iwater)2 + (1 / Ilipid)2 )1/2 where Iwater and Ilipid where the signal to noise ratio of the water and lipid peaks used in the calculation