L002: His148 HD1 - Asn146 O

Probability density function

Hydrogen bonding

The following table presents the probability of the hydrogen bonding (within 2.5 Å).

System	H bond
Reduced	0.243
Oxidized	0.236
Cu(I)	0.606
Na+	0.533

Quantitative

Reduced roGFP2

Distance (Å)	Density
1.21	\(3.828 \times 10^{-24}\)
2.03	\(3.957 \times 10^{-01}\)
2.44	\(3.081 \times 10^{-01}\)
3.12	\(5.426 \times 10^{-01}\)
3.16	\(5.421 \times 10^{-01}\)
3.22	\(5.454 \times 10^{-01}\)
6.02	\(3.104 \times 10^{-04}\)
6.09	\(4.197 \times 10^{-04}\)
6.20	\(7.817 \times 10^{-05}\)
6.26	\(1.364 \times 10^{-04}\)
6.34	\(6.903 \times 10^{-05}\)
6.36	\(7.155 \times 10^{-05}\)
6.73	\(3.951 \times 10^{-23}\)

Oxidized roGFP2

Distance (Å)	Density
1.11	\(5.533 \times 10^{-37}\)
1.56	\(2.459 \times 10^{-04}\)
2.08	\(3.812 \times 10^{-01}\)
2.43	\(3.245 \times 10^{-01}\)
3.08	\(6.039 \times 10^{-01}\)
4.18	\(1.522 \times 10^{-01}\)
4.39	\(1.603 \times 10^{-01}\)
6.48	\(1.656 \times 10^{-04}\)
6.57	\(4.006 \times 10^{-05}\)
6.90	\(3.305 \times 10^{-11}\)

roGFP2 and Cu(I)

Distance (Å)	Density
1.44	\(1.712 \times 10^{-13}\)
2.01	\(1.073 \times 10^{+00}\)
4.30	\(4.514 \times 10^{-03}\)
4.34	\(4.716 \times 10^{-03}\)
4.56	\(1.914 \times 10^{-03}\)
4.61	\(2.208 \times 10^{-03}\)
4.74	\(6.830 \times 10^{-04}\)
4.81	\(9.211 \times 10^{-04}\)
4.88	\(1.122 \times 10^{-04}\)
5.05	\(2.748 \times 10^{-12}\)

Potential of mean force

*

Quantitative

Reduced roGFP2

Distance (Å)	PMF [kcal/mol]
2.03	0.191
2.44	0.340
3.12	0.003
3.16	0.004
3.22	-0.000
6.02	4.454
6.09	4.274
6.20	5.276
6.26	4.944
6.34	5.350
6.36	5.329
7.85	432.700
7.87	68.274

Oxidized roGFP2

Distance (Å)	PMF [kcal/mol]
2.06	0.241
2.42	0.340
3.08	-0.032
4.18	0.790
4.39	0.759
6.47	4.849
6.60	5.436
8.10	356.713
8.46	68.303

roGFP2 and Cu(I)

Distance (Å)	PMF [kcal/mol]
2.01	-0.902
4.30	2.360
4.34	2.334
4.56	2.871
4.61	2.786
4.74	3.486
4.81	3.307
4.88	4.562
5.82	428.434
5.84	67.776

Visualization