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. 2020 Nov 19;6(11):e05544. doi: 10.1016/j.heliyon.2020.e05544

Table 6.

Hydrogen bond interactions of imidazolium cations.

Imidazolium cation Index Residue AA Distance (Å)
Donor Angle Donor atom Acceptor atom
H-A D-A
[3a-H]+ 1 6A SER 3.10 3.89 139.60 6 [O3] 1688 [N2]
2 6A SER 3.35 3.89 115.13 1688 [N2] 6 [O3]
[3b-H]+ 1 6A SER 3.04 3.84 140.17 6 [O3] 1688 [N2]
2 6A SER 3.32 3.84 113.27 1688 [N2] 6 [O3]
3 37A LYS 3.17 4.02 145.11 219 [Nam] 1702 [O-]
[3c-H]+ - - - - - - - -
[3d-H]+ 1 7A PRO 2.00 2.80 133.87 1688 [N2] 10 [O2]
[3e-H]+ 1 6A SER 3.17 4.00 144.69 6 [O3] 1688 [N2]
2 6A SER 3.57 4.00 107.49 1688 [N2] 6 [O3]
3 37A LYS 3.10 3.96 147.19 219 [Nam] 1703 [O2]
[3f-H]+ 1 6A SER 3.04 3.84 139.86 6 [O3] 1688 [N2]
2 6A SER 3.31 3.84 113.83 1688 [N2] 6 [O3]
3 37A LYS 3.23 4.09 146.04 219 [Nam] 1705 [O2]
[3g-H]+ 1 6A SER 3.06 3.89 144.21 6 [O3] 1688 [N2]
2 6A SER 3.47 3.89 106.63 1688 [N2] 6 [O3]
[3h-H]+ 1 75B ARG 2.80 3.52 130.66 1392 [Ng+] 1688 [N2]
2 75B ARG 2.05 3.01 157.03 1688 [N2] 1389 [Ng+]
[3i-H]+ 1 77B VAL 2.66 3.28 121.36 1404 [Nam] 1688 [N2]