| Table 1. RCI weighting coefficients for different cases of available assignments |
|
Nuclei
included |
Correl. |
Weighting
coefficients |
|||||
|
CA |
CO |
CB |
N |
HA |
NH |
||
|
CA, CB,
CO, N, HA,
NH |
0.81 |
0.74 |
0.72 |
0.13 |
0.38 |
0.91 |
0.15 |
|
CA, CB,
CO, HA, NH |
0.80 |
0.72 |
0.68 |
0.1 |
0 |
0.91 |
0.24 |
|
CA, CB,
CO, N, NH |
0.79 |
0.85 |
0.82 |
0.35 |
0.32 |
0 |
0.21 |
|
CA, CB,
N, HA, NH |
0.79 |
0.8 |
0 |
0.16 |
0.34 |
0.88 |
0.09 |
|
CA, CO,
N, HA, NH |
0.80 |
0.68 |
0.68 |
0 |
0.33 |
0.89 |
0.13 |
|
CB, CO,
N, HA, NH |
0.78 |
0 |
0.79 |
0.05 |
0.33 |
0.89 |
0.08 |
|
CA, CB,
CO, N, HA |
0.79 |
0.71 |
0.67 |
0.13 |
0.43 |
0.88 |
0 |
|
CA, CB,
CO, HA |
0.77 |
0.64 |
0.6 |
0.1 |
0 |
0.82 |
0 |
|
CA, CB,
CO, NH |
0.78 |
0.81 |
0.78 |
0.29 |
0 |
0 |
0.27 |
|
CA, CB,
CO, N |
0.76 |
0.82 |
0.8 |
0.39 |
0.4 |
0 |
0 |
|
CA, CB,
HA, NH |
0.79 |
0.77 |
0 |
0.13 |
0 |
0.87 |
0.15 |
|
CA, CB,
N, HA |
0.78 |
0.77 |
0 |
0.16 |
0.36 |
0.84 |
0 |
|
CA, CB,
N, NH |
0.77 |
0.86 |
0 |
0.37 |
0.28 |
0 |
0.11 |
|
CA, CO,
HA, NH |
0.80 |
0.68 |
0.67 |
0 |
0 |
0.9 |
0.23 |
|
CA, CO,
N, HA |
0.79 |
0.64 |
0.62 |
0 |
0.38 |
0.85 |
0 |
|
CA, CO,
N, NH |
0.79 |
0.82 |
0.79 |
0 |
0.22 |
0 |
0.28 |
|
CA, N,
HA, NH |
0.79 |
0.75 |
0 |
0 |
0.3 |
0.87 |
0.1 |
|
CB, CO,
HA, NH |
0.77 |
0 |
0.71 |
0.03 |
0 |
0.82 |
0.14 |
|
CB, CO,
N, HA |
0.77 |
0 |
0.76 |
0.04 |
0.35 |
0.85 |
0 |
|
CB, CO,
N, NH |
0.75 |
0 |
0.96 |
0.28 |
0.28 |
0 |
0.2 |
|
CB, N,
HA, NH |
0.73 |
0 |
0 |
0 |
0.27 |
0.77 |
0 |
|
CO, N,
HA, NH |
0.79 |
0 |
0.75 |
0 |
0.3 |
0.86 |
0.07 |
|
CO, N,
HA |
0.77 |
0 |
0.71 |
0 |
0.32 |
0.83 |
0 |
|
CO, N,
NH |
0.74 |
0 |
0.93 |
0 |
0.27 |
0 |
0.2 |
|
N, HA,
NH |
0.73 |
0 |
0 |
0 |
0.27 |
0.77 |
0 |
|
CB, N,
HA |
0.73 |
0 |
0 |
0 |
0.27 |
0.77 |
0 |
|
CB, N,
NH |
0.64 |
0 |
0 |
0.73 |
0.78 |
0 |
0.25 |
|
CO, HA,
NH |
0.78 |
0 |
0.67 |
0 |
0 |
0.78 |
0.13 |
|
CB, CO,
N |
0.70 |
0 |
0.84 |
0.28 |
0.32 |
0 |
0 |
|
CB, HA,
NH |
0.68 |
0 |
0 |
0 |
0 |
0.6 |
0 |
|
CB, CO,
HA |
0.74 |
0 |
0.61 |
0.05 |
0 |
0.76 |
0 |
|
CB, CO,
NH |
0.72 |
0 |
0.85 |
0.25 |
0 |
0 |
0.2 |
|
CA, N,
HA |
0.78 |
0.71 |
0 |
0 |
0.32 |
0.83 |
0 |
|
CA, N,
NH |
0.77 |
0.83 |
0 |
0 |
0.17 |
0 |
0.23 |
|
CA, CO,
N |
0.75 |
0.78 |
0.76 |
0 |
0.35 |
0 |
0 |
|
CA, HA,
NH |
0.79 |
0.71 |
0 |
0 |
0 |
0.85 |
0.13 |
|
CA, CO,
HA |
0.77 |
0.56 |
0.56 |
0 |
0 |
0.78 |
0 |
|
CA, CO,
NH |
0.78 |
0.78 |
0.76 |
0 |
0 |
0 |
0.3 |
|
CA, CB,
N |
0.74 |
0.83 |
0 |
0.38 |
0.32 |
0 |
0 |
|
CA, CB,
HA |
0.76 |
0.65 |
0 |
0.12 |
0 |
0.76 |
0 |
|
CA, CB,
NH |
0.77 |
0.89 |
0 |
0.34 |
0 |
0 |
0.23 |
|
CA, CB,
CO |
0.73 |
0.79 |
0.74 |
0.31 |
0 |
0 |
0 |
|
N, NH |
0.59 |
0 |
0 |
0 |
0.71 |
0 |
0.42 |
|
N, HA |
0.73 |
0 |
0 |
0 |
0.27 |
0.77 |
0 |
|
CO, N |
0.67 |
0 |
0.77 |
0 |
0.27 |
0 |
0 |
|
HA, NH |
0.68 |
0 |
0 |
0 |
0 |
0.6 |
0 |
|
CO, HA |
0.73 |
0 |
0.55 |
0 |
0 |
0.69 |
0 |
|
CO, NH |
0.72 |
0 |
0.8 |
0 |
0 |
0 |
0.2 |
|
CB, N |
0.59 |
0 |
0 |
0.65 |
0.68 |
0 |
0 |
|
CB, HA |
0.68 |
0 |
0 |
0 |
0 |
0.6 |
0 |
|
CB, NH |
0.57 |
0 |
0 |
0.71 |
0 |
0 |
0.51 |
|
CB, CO |
0.65 |
0 |
0.85 |
0.25 |
0 |
0 |
0 |
|
CA, N |
0.72 |
0.77 |
0 |
0 |
0.27 |
0 |
0 |
|
CA, HA |
0.76 |
0.55 |
0 |
0 |
0 |
0.69 |
0 |
|
CA, NH |
0.76 |
0.85 |
0 |
0 |
0 |
0 |
0.25 |
|
CA, CO |
0.71 |
0.68 |
0.65 |
0 |
0 |
0 |
0 |
|
CA, CB |
0.72 |
0.74 |
0 |
0.34 |
0 |
0 |
0 |
|
CA |
0.68 |
1.0 |
0 |
0 |
0 |
0 |
0 |
|
CO |
0.60 |
0 |
1.0 |
0 |
0 |
0 |
0 |
|
N |
0.46 |
0 |
0 |
0 |
1.0 |
0 |
0 |
|
CB |
0.44 |
0 |
0 |
1.0 |
0 |
0 |
0 |
|
NH |
0.47 |
0 |
0 |
0 |
0 |
0 |
1.0 |
|
HA |
0.68 |
0 |
0 |
0 |
0 |
1.0 |
0 |
| Correl. - an average correlation coefficient between RCI and MD RMSF for a test database of 18 proteins. |