D007: Thr203 HG1 to Glu222 OE1¶
Probability density function¶
Quantitative¶
Reduced roGFP2
| Distance (Å) | Density |
|---|---|
| 1.40 | \(2.127 \times 10^{-08}\) |
| 1.71 | \(4.560 \times 10^{-04}\) |
| 2.31 | \(1.224 \times 10^{-04}\) |
| 4.83 | \(1.786 \times 10^{-01}\) |
| 5.43 | \(7.665 \times 10^{-02}\) |
| 6.24 | \(3.273 \times 10^{-01}\) |
| 6.84 | \(2.441 \times 10^{-01}\) |
| 7.65 | \(4.278 \times 10^{-01}\) |
| 10.37 | \(1.895 \times 10^{-06}\) |
Oxidized roGFP2
| Distance (Å) | Density |
|---|---|
| 3.32 | \(2.161 \times 10^{-20}\) |
| 5.13 | \(8.631 \times 10^{-03}\) |
| 5.83 | \(3.936 \times 10^{-03}\) |
| 7.65 | \(9.545 \times 10^{-01}\) |
| 9.56 | \(1.163 \times 10^{-11}\) |
roGFP2 and Cu(I)
| Distance (Å) | Density |
|---|---|
| 1.81 | \(1.500 \times 10^{-11}\) |
| 2.01 | \(1.371 \times 10^{-05}\) |
| 2.51 | \(1.839 \times 10^{-09}\) |
| 3.62 | \(4.792 \times 10^{-02}\) |
| 4.12 | \(2.711 \times 10^{-02}\) |
| 4.53 | \(3.593 \times 10^{-02}\) |
| 5.03 | \(2.839 \times 10^{-02}\) |
| 7.65 | \(7.568 \times 10^{-01}\) |
| 10.77 | \(2.069 \times 10^{-07}\) |
Potential of mean force¶
Quantitative¶
Reduced roGFP2
| Distance (Å) | PMF [kcal/mol] |
|---|---|
| 1.71 | 4.080 |
| 2.31 | 4.864 |
| 4.83 | 0.521 |
| 5.43 | 1.025 |
| 6.24 | 0.160 |
| 6.84 | 0.335 |
| 7.65 | -0.000 |
| 12.18 | 368.873 |
| 12.38 | 68.129 |
Oxidized roGFP2
| Distance (Å) | PMF [kcal/mol] |
|---|---|
| 2.41 | 68.608 |
| 2.61 | 417.835 |
| 5.13 | 2.805 |
| 5.83 | 3.273 |
| 7.65 | -0.000 |
| 10.17 | 278.350 |
| 10.37 | 68.608 |
roGFP2 and Cu(I)
| Distance (Å) | PMF [kcal/mol] |
|---|---|
| 2.01 | 6.509 |
| 2.41 | 16.775 |
| 3.62 | 1.645 |
| 4.12 | 1.984 |
| 4.53 | 1.816 |
| 5.03 | 1.957 |
| 7.65 | -0.000 |
| 12.48 | 395.433 |
| 12.68 | 68.469 |
| 14.90 | 68.469 |