|
Filename |
Description |
|
(PDB
Code).bfactor |
This
file is the theoretical and experimental B-factor (temperature factor)
file and contains three columns. The first column is the residue
index, the second is GNM calculated theoretical B-factors and the last
column is the x-ray crystallographic b-factors taken from the PDB
file. |
|
(PDB
Code).ca |
Experimental data. 5 columns, comprising residue indices, x-, y- and
z- coordinates of alpha-carbons, and corresponding temperature
factors. |
|
(PDB
Code).cc |
The file contains the cross-correlations between residue
fluctuations. The values are between +1(perfect concerted motion) and
-1(perfect anti-correlated motions). |
|
(PDB
Code).cont |
It
lists the number of neighbors are in contact with a specific residue
within a cutoff 7.3Å |
|
(PDB
Code).eigen |
This
lists N-1 eigenvalues in the decreasing order |
|
(PDB
Code).sloweigenvectors |
22
columns. The first column refers to residue indices. Columns 3-22 are
the elements of eigenvectors associated with the 20 slowest (lowest
frequency) modes, starting from the slowest (first) mode (column 3).
The dimension of each element in these vectors is Angstroms. |
|
(PDB
Code).fasteigenvectors |
22
columns. The first column refers to residue indices, columns 3-22 are
the elements of eigenvectors associated with the 20 fastest (highest
frequency) modes, starting from the highest mode (column 3) . The
dimension of each element in these vectors is Angstroms.
|
|
(PDB
Code).slowmodes |
22
columns. The first column refers to residue indices, columns 3-22 are
slow mode shapes associated with the 20 slowest (lowest frequency)
modes, starting from the slowest (first) mode. The dimension in each
row of columns 3-22 is in Angstrom square, giving the fluctuations
resulting from these independent modes. |
|
(PDB
Code).fastmodes |
22
columns. The first column refers to residue indices, columns 3-22 are
fast mode shapes associated with the 20 fastest (highest frequency)
modes, starting from the highest mode. The dimension in each row of
columns 3-22 is in Angstrom square, giving the fluctuations resulting
from these independent modes. Since the last modes reflect localized
fast motions in the protein, these modes have few non-zero elements. |
|
(PDB
Code).slowav |
2
columns. The first column refers to residue indices, column 2 is the
residue mean-square fluctuations driven by the joint contribution of
the slowest two modes. |
|
(PDB
Code).fast10av |
3
columns. The first column refers to residue indices, column 2 lists
the residue mean-square fluctuations driven by the highest frequency
mode, column 3 shows the result from the weighted contribution of the
fastest modes. |