-
Here rc is the cutoff distance defining the range
of interaction of residues, each residue being represented by its
a-carbon,
and
Rij
is the distance between ith and jth residues.
-
The value of rc = 7 Å
includes the neighboring residues located in the first coordination shell
near a central residue.
-
The equilibrium correlations between the fluctuations
DRi
and
DRj
of residues i and j are given by
< ΔRi . ΔRj > = (kBT/ g) [ G-1 ]ij
< ΔRi
.
ΔRj > = (kBT/
g)
[
G-1
]ij
where
l is the smallest nonzero eigenvalue of
G
and
u1
is the corresponding eigenvector reflecting the global mode frequency and shape,
respectively, the subscript 1 refers to mode 1 (global mode) and the subscript
ii refers to the ith diagonal element of the N x N matrix enclosed in square
brackets.
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