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. 2011 Apr 27;18(1):229–237. doi: 10.1007/s00894-011-1033-4

Table 1.

The ES and LS characteristics of proteins under consideration. The position of mutations is given in the second column, followed by the value of D (distance), which is a measure of the accordance with the adopted model of ES intermediate. The D average expresses the mean distance between the projected and observed values of parameters that describe the structure of ES intermediate. The proteins with D average values below 1.0 are considered consistent with the ES model. The protein of the relation O/T < O/R is interpreted as accordant with LS model O/T denotes the Kullback-Leibler entropy calculated for the observed (O) distribution of hydrophobicity density and theoretical one (T) treated as the target distribution in comparison with the O/R expressing the distance between observed one and random (R) treated as the target distribution. Chains A were taken for analysis in NMR technique determining the protein structure. The values given in bold denote the case of accordance with appropriate model

PDB - ID Mutation D average O/T O/L
1AME P64A, P65A 1.214 0.058 0.066
2AME P64A, P65A, N14Q 1.174 0.062 0.072
3AME P64A, P65A, Q9T, Q44T 1.102 0.055 0.060
4AME P64A, P65A, T18A 1.164 0.061 0.066
6AME P64A, P65A, M21A 1.202 0.059 0.069
7AME P64A, P65A, T15A 1.354 0.058 0.067
8AME P64A, P65A, N14S, A16H 1.251 0.059 0.066
9AME P64A, P65A, S42G 1.403 0.060 0.068
1MSI P64A, P65A 1.190 0.065 0.066
2MSI A16M 1.251 0.080 0.062
3MSI A16H 1.334 0.077 0.059
4MSI A16T 1.396 0.068 0.061
5MSI A16C 1.318 0.071 0.061
6MSI A16R 1.303 0.067 0.057
7MSI A16Y 1.294 0.066 0.060
8MSI P64A, P65A, N14S, Q44T 1.192 0.056 0.062
9MSI P64A, P65A, T18N 1.238 0.054 0.062
1MSJ P64A, P65A, T15V 1.237 0.060 0.068
2MSJ P64A, P65A, N46S 1.163 0.058 0.064
1JAB P64A, P65A, T18A 1.153 0.058 0.067
1JIA P64A, P65A, K61I 1.213 0.060 0.064
1B7I P64A, P65A, K61R 1.275 0.055 0.063
1B7J P64A, P65A, V20A 1.273 0.057 0.067
1B7K P64A, P65A, R47H 1.315 0.055 0.066
1KDE INS(M0) P64A, P65A, INS(K66, D67, E68, L69) 1.113 0.061 0.091
1KDF INS(M0) P64A, P65A, INS(K66, D67, E68, L69) 0.989 0.059 0.076
2SPG T15S 1.381 0.060 0.067
1J5B T(2,13,24,35)V A(7,29)K, A(11,33)E 0.192 0.349 0.072