D006: Thr203 HG1 to Glu222 OE1¶
Probability density function¶
Quantitative¶
Reduced roGFP2
| Distance (Å) | Density |
|---|---|
| 1.81 | \(6.733 \times 10^{-08}\) |
| 3.72 | \(1.441 \times 10^{-01}\) |
| 4.12 | \(1.408 \times 10^{-01}\) |
| 4.73 | \(1.756 \times 10^{-01}\) |
| 5.53 | \(8.844 \times 10^{-02}\) |
| 6.64 | \(4.546 \times 10^{-01}\) |
| 10.37 | \(2.307 \times 10^{-06}\) |
Oxidized roGFP2
| Distance (Å) | Density |
|---|---|
| 3.32 | \(4.414 \times 10^{-18}\) |
| 3.52 | \(1.020 \times 10^{-04}\) |
| 3.72 | \(6.939 \times 10^{-07}\) |
| 6.84 | \(7.912 \times 10^{-01}\) |
| 9.36 | \(2.591 \times 10^{-04}\) |
| 9.76 | \(1.930 \times 10^{-06}\) |
| 10.06 | \(6.322 \times 10^{-05}\) |
| 10.27 | \(3.913 \times 10^{-07}\) |
roGFP2 and Cu(I)
| Distance (Å) | Density |
|---|---|
| 2.31 | \(6.127 \times 10^{-12}\) |
| 6.54 | \(6.604 \times 10^{-01}\) |
| 9.96 | \(3.742 \times 10^{-06}\) |
| 10.47 | \(2.033 \times 10^{-05}\) |
| 10.77 | \(1.177 \times 10^{-09}\) |
| 11.07 | \(7.112 \times 10^{-06}\) |
| 11.27 | \(2.099 \times 10^{-07}\) |
Potential of mean force¶
Quantitative¶
Reduced roGFP2
| Distance (Å) | PMF [kcal/mol] |
|---|---|
| 3.72 | 0.685 |
| 4.12 | 0.698 |
| 4.73 | 0.567 |
| 5.53 | 0.976 |
| 6.64 | -0.000 |
| 12.58 | 395.039 |
| 12.78 | 68.165 |
Oxidized roGFP2
| Distance (Å) | PMF [kcal/mol] |
|---|---|
| 1.10 | 68.440 |
| 2.41 | 68.440 |
| 2.61 | 370.216 |
| 3.52 | 5.284 |
| 3.72 | 8.259 |
| 6.84 | -0.056 |
| 9.56 | 4.476 |
| 9.76 | 7.649 |
| 10.06 | 5.569 |
| 11.07 | 357.699 |
| 11.27 | 68.440 |
| 14.90 | 68.440 |
roGFP2 and Cu(I)
| Distance (Å) | PMF [kcal/mol] |
|---|---|
| 1.20 | 401.221 |
| 6.54 | 0.005 |
| 10.17 | 24.645 |
| 10.47 | 6.198 |
| 10.87 | 22.089 |
| 11.07 | 6.824 |
| 12.38 | 353.112 |
| 12.58 | 68.393 |
| 14.90 | 68.393 |