When the LANA-DBM ligand bivalently binds to nucleosome, the Gly linker moiety would position itself proximal to H2BK43/K46 and distal from H2BK120/K108/K116 (Figure ). Therefore, we aimed to substitute a Gly residue on the linker (G1-5, Figure ) to Lys for conjugation with BAHA. To calculate distances between G1-5 and the histone Lys residues, we further analyzed trajectories of Complexes 3-6. In Complex 4, H2BK43/K46 were located within CER of BAHA, and H2BK108 was outside CER, regardless of BAHA's position (Figure ). For the G1 position close to the LANA moiety, H2BK120/K116 were also present in CER. For the positions close to DBM, especially G5, however, H2BK120/K116 were excluded from CER. In Complexes 3/5/6, H2BK120/K108/K116 existed outside CER for the positions nearby DBM (Figure ).