Table 3 AV simulation parameters used for donor-acceptor distance estimation within the (MET:InlB321)2 complex

From: Single-molecule imaging and molecular dynamics simulations reveal early activation of the MET receptor in cells

 

Linker length [Å]

Linker width [Å]

R1 [Å]

R2 [Å]

R3 [Å]

ATTO 647N maleimide

21.0

4.5

7.15

4.5

1.5

Cy3B maleimide

18.5

4.5

3.4

8.2

3.0

  1. The linker is simplified as a cylinder model; the length and width represent the height and radius of the cylinder. The dye is simulated as an ellipsoid using the 3AV model. The radii R1, R2, and R3 describe the dye ellipsoid. Linker and dye dimensions were taken from Klose et al.92 for Cy3B maleimide and from Claus Seidel (Heinrich Heine University Düsseldorf) for ATTO 647N maleimide.
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