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. 2020 Nov 21;128:104124. doi: 10.1016/j.compbiomed.2020.104124

Table 3.

Comparison of exposure measures by other methods.

Standard view Phys 1 Phys 2 Phys 3 Exposed Rmax = 6.5 Å Exposed
Rmax = 10.0 Å
Exposed
Rmax = 4.5 Å
Not in contact with hydro-phobic core (Moel-bert et al. Semanta et al. [22]
A
(Semanta et al. [22])
B
LYS +/− +1.8 −1.5 −3.0 5.9 5.6 7.3 +2.0 0.61 9.8 85
GLU +/− +1.6 −0.74 −2.5 5.4 5.5 6.0 +1.9 0.59 10.6 64
ARG +/− +1.0 −2.5 −3.0 5.1 4.6 6.5 +0.9 0.54 16.3 77
ASP +/− +2.4 −0.1 −2.5 5.1 5.3 5.1 +2.1 0.61 11.0 48
ASN P +0.4 −0.8 0 5.1 5.7 5.4 −0.3 0.57 12.0 48
HIS +/− P +1.4 −0.4 0 4.5 4.5 5.8 −0.05 0.42 15.2 47
GLN P +0.2 −0.8 0 4.4 4.3 5.8 −0.3 0.57 12.8 60
PRO H −0.3 +0.12 +1.4 4.2 4.4 4.9 −1.8 0.50 10.6 43
THR P +0.1 0 +0.4 4.0 4.4 4.3 −0.5 0.48 11.3 36
SER P +0.3 −0.2 −0.3 3.8 4.5 4.1 −0.2 0.57 9.3 28
TYR P,H +0.2 0 +2.3 3.6 3.2 5.1 −1.2 0.32 20.6 40
TRP H −0.2 +0.8 +3.4 3.2 3.0 4.5 −1.4 0.28 24.8 38
GLY +1.1 +0.5 0 3.2 3.5 4.2 0 0.59
LEU H −0.7 +1.5 +1.8 3.2 3.0 5.6 −1.2 0.32 14.8 23
VAL H −0.5 +1.8 +1.5 2.7 3.1 4.2 −1.0 0.31 12.8 19
ILE H −0.8 +1.4 +1.8 2.7 2.6 4.5 −1.25 0.27 15.3 21
PHE H −0.6 +1.2 +2.5 2.7 2.3 5.0 −1.3 0.29 20.0 25
ALA H +0.3 +0.6 +0.5 2.6 3.3 3.8 −0.6 0.40 7.2 18
MET H −0.4 +0.6 +1.3 2.3 1.6 5.5 −1.0 0.37 16.5 29
CYS H +0.2 +0.3 +1.0 2.1 2.7 3.5 −0.5 0.27 13.4 10