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

Table 5.

Hydrogen bond number between residue 325 and trimannose of WT SP-D•Trimannose, Asp325Ala SP-D•Trimannose, Arg343Val SP-D•Trimannose, and DM SP-D•Trimannose at terminal trimannose binding pose.

System Acceptor Donor Occupancy Distance (Å) Angle (degrees)
WT SP-D●Trimannose Asp325@OD1 Man1@O2 0.27 2.67 161.44
Asp325@OD2 Man1@O2 0.27 2.67 161.39
Asp325@OD1 Man1@O6 0.05 2.70 161.25
Asp325@OD2 Man1@O6 0.05 2.70 161.60
Total 0.64
Asp325Ala SP-D●Trimannose No Hydrogen bonds
Arg343Val SP-D●Trimannose Asp325@OD1 Man1@O2 0.20 2.67 159.30
Asp325@OD2 Man1@O2 0.20 2.67 159.31
Total 0.40
DM SP-D●Trimannose No Hydrogen bonds