Table 1 Performance of various scores of dynamic importance assessed by the average (⟨Z⟩) and standard deviation (σ Z ) of Z scores for two lists of test cases (short list in row 2 and long list in row 3).
⟨Z⟩(σ Z ) of | |||||||
|---|---|---|---|---|---|---|---|
R c (Ã…) |
|
| δf i | δλ m, i |
|
|
|
7* | -1.41(2.00) | -2.68(2.11) | -2.18(2.02) | -2.38(2.38) | -1.92(2.19) | - 0.55(1.30) | 0.28(1.27) |
7 | -1.65(2.09) | -2.63(1.90) | -1.50(1.61) | -2.32(1.84) | |||
8 | -1.92(1.90) | -2.36(1.75) | -1.21(1.82) | -2.07(1.86) | |||
9 | -1.82(2.11) | -2.26(1.83) | -0.61(1.77) | -1.77(2.02) | |||
10 | -1.89(1.94) | -2.32(1.54) | -0.48(1.87) | -1.70(2.07) | |||
11 | -1.90(2.01) | -2.40(1.56) | -0.16(2.11) | -1.55(1.88) | |||
12 | -1.93(2.09) | -2.40(1.67) | -0.09(2.11) | -1.33(2.08) | |||
13 | -1.87(2.11) | -2.24(1.71) | +0.26(2.16) | -1.08(1.97) | |||
14 | -1.93(2.06) | -2.08(1.58) | +0.51(2.30) | -0.96(1.89) | |||
15 | -1.96(1.94) | -2.06(1.52) | +0.79(2.45) | -0.88(1.99) | |||
7** | -1.20(1.96) | -2.44(1.97) | -2.11(1.82) | -2.21(2.18) | |||
7* | -0.06(2.01) | -1.80(1.72) | -1.81(1.52) | -1.60(1.72) | -1.98(1.82) | - 0.38(1.25) | 0.03(1.29) |
7 | -1.30(1.97) | -1.30(1.97) | -1.02(1.71) | -1.24(1.89) | |||
8 | -0.30(2.27) | -0.97(2.21) | -0.62(1.81) | -0.94(2.00) | |||
9 | -0.36(2.34) | -0.78(2.23) | -0.33(1.87) | -0.65(2.04) | |||
10 | -0.40(2.39) | -0.61(2.30) | -0.08(1.90) | -0.40(2.10) | |||
11 | -0.43(2.44) | -0.51(2.35) | +0.16(2.01) | -0.29(2.20) | |||
12 | -0.49(2.47) | -0.43(2.37) | +0.37(2.09) | -0.23(2.26) | |||
13 | -0.50(2.53) | -0.34(2.39) | +0.54(2.06) | -0.01(2.14) | |||
14 | -0.50(2.56) | -0.24(2.44) | +0.74(2.11) | +0.15(2.16) | |||
15 | -0.47(2.58) | -0.16(2.50) | +0.98(2.20) | +0.32(2.17) | |||
7** | +0.09(1.88) | -1.68(1.64) | -1.76(1.46) | -1.54(1.66) | |||
- * in combination with heavy-atom-contact
- ** in combination with heavy-atom-contact, and after removing conserved ligand-binding residues
- Note: σZdescribes the variations of Z scores among the list of test cases. To assess the accuracy of ⟨Z⟩, the standard error of ⟨Z⟩ for the long list can be estimated as follows:
(473 is the number of protein structure pairs used for Z score calculations, see Methods).
(473 is the number of protein structure pairs used for Z score calculations, see Methods).