B004: Cys147 CA - Cys204 CA¶
Probability density function¶
Quantitative¶
Reduced roGFP2
| Distance (Å) | Density |
|---|---|
| 3.42 | \(2.144 \times 10^{-08}\) |
| 3.47 | \(2.279 \times 10^{-04}\) |
| 3.53 | \(4.001 \times 10^{-08}\) |
| 3.59 | \(1.136 \times 10^{-03}\) |
| 3.61 | \(8.040 \times 10^{-04}\) |
| 4.31 | \(1.765 \times 10^{+00}\) |
| 5.20 | \(8.769 \times 10^{-03}\) |
| 5.22 | \(9.106 \times 10^{-03}\) |
| 5.39 | \(1.677 \times 10^{-03}\) |
| 5.41 | \(1.964 \times 10^{-03}\) |
| 5.49 | \(1.612 \times 10^{-04}\) |
| 5.55 | \(6.245 \times 10^{-04}\) |
| 5.60 | \(2.051 \times 10^{-04}\) |
| 5.63 | \(4.661 \times 10^{-04}\) |
| 5.66 | \(9.308 \times 10^{-05}\) |
| 5.69 | \(6.774 \times 10^{-04}\) |
| 5.74 | \(3.879 \times 10^{-06}\) |
| 5.79 | \(4.284 \times 10^{-04}\) |
| 5.83 | \(3.963 \times 10^{-06}\) |
| 5.88 | \(2.212 \times 10^{-04}\) |
| 5.90 | \(9.455 \times 10^{-05}\) |
| 5.92 | \(1.965 \times 10^{-04}\) |
| 6.00 | \(3.309 \times 10^{-08}\) |
| 6.04 | \(1.693 \times 10^{-04}\) |
| 6.09 | \(3.896 \times 10^{-04}\) |
| 6.14 | \(3.969 \times 10^{-07}\) |
Oxidized roGFP2
| Distance (Å) | Density |
|---|---|
| 3.25 | \(6.383 \times 10^{-252}\) |
| 3.30 | \(1.267 \times 10^{-160}\) |
| 3.65 | \(7.992 \times 10^{-03}\) |
| 4.08 | \(2.848 \times 10^{+00}\) |
| 4.76 | \(1.683 \times 10^{-03}\) |
| 4.94 | \(3.379 \times 10^{-04}\) |
| 5.09 | \(5.741 \times 10^{-102}\) |
| 5.17 | \(5.482 \times 10^{-231}\) |
roGFP2 and Cu(I)
| Distance (Å) | Density |
|---|---|
| 3.51 | \(8.613 \times 10^{-11}\) |
| 4.48 | \(8.138 \times 10^{-01}\) |
| 4.57 | \(7.646 \times 10^{-01}\) |
| 4.63 | \(7.872 \times 10^{-01}\) |
| 4.67 | \(7.778 \times 10^{-01}\) |
| 4.82 | \(8.767 \times 10^{-01}\) |
| 4.84 | \(8.741 \times 10^{-01}\) |
| 4.96 | \(9.108 \times 10^{-01}\) |
| 6.19 | \(9.204 \times 10^{-04}\) |
| 6.22 | \(1.009 \times 10^{-03}\) |
| 6.46 | \(9.033 \times 10^{-11}\) |
Potential of mean force¶
Quantitative¶
Reduced roGFP2
| Distance (Å) | PMF [kcal/mol] |
|---|---|
| 1.01 | 68.971 |
| 3.01 | 68.971 |
| 3.03 | 430.608 |
| 3.47 | 5.335 |
| 3.52 | 10.764 |
| 3.59 | 4.377 |
| 3.61 | 4.583 |
| 4.31 | -0.004 |
| 5.20 | 3.159 |
| 5.22 | 3.136 |
| 5.39 | 4.145 |
| 5.41 | 4.051 |
| 5.49 | 5.541 |
| 5.55 | 4.734 |
| 5.60 | 5.398 |
| 5.63 | 4.908 |
| 5.66 | 5.869 |
| 5.69 | 4.685 |
| 5.74 | 7.763 |
| 5.79 | 4.958 |
| 5.83 | 7.750 |
| 5.88 | 5.352 |
| 5.90 | 5.859 |
| 5.92 | 5.423 |
| 5.98 | 11.614 |
| 6.04 | 5.512 |
| 6.09 | 5.015 |
| 6.53 | 414.146 |
| 6.55 | 68.971 |
Oxidized roGFP2
| Distance (Å) | PMF [kcal/mol] |
|---|---|
| 3.00 | 68.615 |
| 3.25 | 344.798 |
| 3.56 | 5.030 |
| 3.69 | 2.561 |
| 4.08 | -0.644 |
| 4.64 | 2.582 |
| 4.73 | 3.541 |
| 4.86 | 8.233 |
| 5.17 | 316.062 |
| 5.42 | 68.615 |
roGFP2 and Cu(I)
| Distance (Å) | PMF [kcal/mol] |
|---|---|
| 1.01 | 68.411 |
| 2.82 | 68.411 |
| 2.84 | 439.809 |
| 4.48 | -0.102 |
| 4.57 | -0.065 |
| 4.63 | -0.082 |
| 4.67 | -0.075 |
| 4.82 | -0.146 |
| 4.84 | -0.144 |
| 4.96 | -0.169 |
| 6.19 | 3.943 |
| 6.22 | 3.888 |
| 7.12 | 426.485 |
| 7.14 | 68.411 |
| 9.99 | 68.411 |