Skip to main content
. Author manuscript; available in PMC: 2024 Apr 13.
Published in final edited form as: J Phys Chem B. 2023 Mar 31;127(14):3175–3186. doi: 10.1021/acs.jpcb.3c00429

Table 2:

Top binding amino acids with the strongest affinities toward ligandsa

rank I0 I1 I2
amino acid P c (i) amino acid Pc(i) amino acid Pc(i)
1 Ser79 6.69±0.03 Ser79 0.71±0.07 Ser79 0.80±0.06
2 Asn76 0.56±0.02 Trp114 0.57±0.08 Asn76 0.77±0.07
3 Pro40 0.51±0.03 Asn76 0.55±0.06 Pro40 0.70±0.07
4 Ile42 0.49±0.03 Ile42 0.43±0.06 Ile42 0.66±0.06
5 Gly80 0.47±0.04 Trpl61 0.42±0.05 Gly80 0.65±0.07
6 Leu34 0.46±0.03 Pro40 0.42±0.05 Leu34 0.63±0.08
7 Ser35 0.35±0.02 Asn118 0.41±0.07 Thr81 0.53±0.05
8 Trp114 0.34±0.07 Trp72 0.41±0.08 Gln39 0.51±0.07
9 Gln39 0.31±0.08 Ser35 0.41±0.04 Arg36 0.51±0.07
10 Arg36 0.30±0.07 Gly80 0.40±0.05 Glu37 0.48±0.07
a

amino acids in bold belong to minNLS binding site