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. 2018 Feb 22;8:3455. doi: 10.1038/s41598-018-21931-8

Table 1.

Summary of molecular interactions between LRRK2 and FADD.

Interacting atom Residue Residue number Interaction Distance E (kcal/mol)
Interactions between LRRK2 and the FADD DD monomers
NE2 ASP 185 H-donor 2.61 −1.8
NZ ASP 175 H-donor 2.44 5.1
NZ GLU 179 H-donor 2.26 99.8
O GLN 182 H-acceptor 3.25 −2.0
NZ GLU 179 ionic 2.26 −11.9
5-ring GLN 182 pi-H 3.96 −0.6
Intra LRRK2 interactions (with adjacent ARM repeats)
N GLN 536 H-donor 2.63 −5.2
N ASN 540 H-donor 3.17 −2.9
OD1 GLN 536 H-acceptor 2.49 3.7
OD2 LYS 539 H-acceptor 2.27 103.4
ND1 ASN 540 H-acceptor 3.59 −0.7
O ALA 548 H-acceptor 2.91 −1.4
OD2 LYS 539 ionic 2.27 −11.7