F002: Ser205 -NH to 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	0.047
Oxidized	0.144
Cu(I)	0.000

Quantitative

Reduced roGFP2

Distance (Å)	Density
1.24	\(4.297 \times 10^{-27}\)
3.80	\(5.397 \times 10^{-01}\)
6.51	\(1.258 \times 10^{-05}\)
6.60	\(6.131 \times 10^{-05}\)
6.80	\(3.131 \times 10^{-09}\)
7.00	\(6.256 \times 10^{-05}\)
7.42	\(5.229 \times 10^{-26}\)

Oxidized roGFP2

Distance (Å)	Density
1.25	\(3.503 \times 10^{-25}\)
2.21	\(2.500 \times 10^{-01}\)
2.30	\(2.472 \times 10^{-01}\)
2.56	\(2.681 \times 10^{-01}\)
2.63	\(2.663 \times 10^{-01}\)
3.56	\(7.104 \times 10^{-01}\)
5.71	\(2.050 \times 10^{-03}\)
5.73	\(2.057 \times 10^{-03}\)
6.14	\(3.404 \times 10^{-04}\)
6.19	\(3.745 \times 10^{-04}\)
6.61	\(9.902 \times 10^{-24}\)

roGFP2 and Cu(I)

Distance (Å)	Density
1.59	\(1.038 \times 10^{-24}\)
1.99	\(2.385 \times 10^{-04}\)
2.07	\(1.068 \times 10^{-04}\)
2.14	\(2.245 \times 10^{-04}\)
2.19	\(2.031 \times 10^{-04}\)
2.29	\(4.686 \times 10^{-04}\)
2.41	\(6.027 \times 10^{-05}\)
2.57	\(8.279 \times 10^{-04}\)
2.66	\(5.693 \times 10^{-04}\)
4.48	\(5.814 \times 10^{-01}\)
7.06	\(1.325 \times 10^{-03}\)
7.11	\(1.430 \times 10^{-03}\)
7.42	\(5.779 \times 10^{-05}\)
7.49	\(1.262 \times 10^{-04}\)
7.59	\(2.422 \times 10^{-05}\)
7.66	\(6.625 \times 10^{-05}\)
8.04	\(3.369 \times 10^{-24}\)

Potential of mean force

Quantitative

Reduced roGFP2

Distance (Å)	PMF [kcal/mol]
3.80	-0.000
6.51	6.359
6.60	5.415
6.80	11.306
7.00	5.403
8.61	433.990
8.63	68.268
8.99	68.268

Oxidized roGFP2

Distance (Å)	PMF [kcal/mol]
2.21	0.511
2.30	0.518
2.56	0.469
2.63	0.473
3.56	-0.112
5.71	3.375
5.73	3.373
6.14	4.445
6.19	4.388
7.76	436.765
7.78	68.320

roGFP2 and Cu(I)

Distance (Å)	PMF [kcal/mol]
1.99	4.120
2.07	4.599
2.14	4.156
2.19	4.216
2.29	3.718
2.41	4.940
2.57	3.378
2.66	3.602
4.48	-0.529
7.06	3.098
7.11	3.052
7.42	4.965
7.49	4.500
7.59	5.484
7.66	4.884

Visualization