From: How far in-silico computing meets real experiments. A study on the structure and dynamics of spin labeled vinculin tail protein by molecular dynamics simulations and EPR spectroscopy
Residues
X-ray
(Cα-Cα), Å
MD
(NX-NX), Ã…
EPR
901-957
16.4
27.2
26.5 ± 1
922-957
5.53
9.5
8 ± 1
901-1033
11.37
12.7
984-1033
6.58
7.3(~65%)
9(~35%)
7 ± 1