Table 2. Polycomb–H3 Binding Free Energy Residue Decomposition^a.

residue	contrib in polycomb/H3K27me3	residue	contrib in polycomb/H3K27me3
H3L20	−0.08 ± 0.54	Glu29	−1.22 ± 0.34
H3A21	−0.50 ± 0.20	Trp47	−5.08 ± 0.42
H3T22	−1.78 ± 0.42	Lys48	−0.13 ± 0.26
H3K23	−6.66 ± 0.56	Trp50	−2.36 ± 0.20
H3A24	−4.27 ± 0.33	Tyr54	−0.68 ± 0.12
H3A25	−5.41 ± 0.53	Thr56	−1.32 ± 0.12
H3R26	−8.41 ± 0.64	Glu58	−1.18 ± 0.72
H3K27me3	−13.69 ± 0.67	Pro59	−0.64 ± 0.06
H3S28	−2.09 ± 0.67	Asn62	−3.15 ± 0.55
Asp23	−1.82 ± 0.56	Ile63	−1.14 ± 0.13
Leu24	−2.57 ± 0.36	Leu64	−2.84 ± 0.24
Val25	−3.29 ± 0.26	Asp65	−2.59 ± 0.19
Tyr26	−4.82 ± 0.42	Arg67	−1.95 ± 0.53
Ala27	−1.69 ± 0.22	Leu68	−2.26 ± 0.25
Ala28	−1.89 ± 0.26	Glu73	−0.61 ± 0.02

^aThe residue Lys48 is included since, although its net contribution is only −0.13 kcal/mol, the van der Waals component to that contribution is relatively high at −0.71 kcal/mol.