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. 2022 Sep 8;20:4984–5000. doi: 10.1016/j.csbj.2022.08.045

Table 6.

Hydrogen bonds between residue in position 343 and Glu333 and trimannose of WT SP-D•Trimannose, Asp325Ala SP-D•Trimannose, Arg343Val SP-D•Trimannose, and DM SP-D•Trimannose at the terminal trimannose binding pose.

System Hbond Type Acceptor Donor Occupancy Distance (Å) Angle (degrees)
WT SP-D●Trimannose Glu333-Arg343 Glu333@OE1 Arg343@NE 0.37 2.80 151.05
Glu333@OE2 Arg343@NE 0.37 2.80 151.34
Glu333@OE1 Arg343@NH1 0.06 2.77 160.22
Glu333@OE2 Arg343@NH1 0.05 2.77 160.23
Glu333@OE1 Arg343@NH2 0.33 2.78 149.59
Glu333@OE2 Arg343@NH2 0.33 2.78 149.51
Total 1.51
Glu333-Trimannose No Hydrogen bonds
Asp325Ala SP-D●Trimannose Glu333-Arg343 Glu333@OE1 Arg343@NE 0.38 2.81 152.91
Glu333@OE2 Arg343@NE 0.47 2.80 152.00
Glu333@OE1 Arg343@NH2 0.32 2.79 150.41
Glu333@OE2 Arg343@NH2 0.42 2.79 150.04
Total 1.58
Glu333-Trimannose No Hydrogen bonds
Arg343Val SP-D●Trimannose Glu333-Val343 No Hydrogen bonds
Glu333-Trimannose Glu333@OE1 Man2@O6 0.18 2.69 164.06
Glu333@OE2 Man2@O6 0.21 2.69 164.19
Total 0.39
DM SP-D●Trimannose Glu333-Val343 No Hydrogen bonds
Glu333-Trimannose Glu333@OE1 Man2@O6 0.25 2.69 163.93
Glu333@OE2 Man2@O6 0.19 2.69 164.14
Total 0.44