. 2020 Jan 17;21:100721. doi: 10.1016/j.bbrep.2019.100721

Table 3.

Hydrogen bonds detected in the Tafamidis: V122I MD simulation. The H-bonds reported for Thr and Lys residues form with the amino acid's side chain –OH and –NH₃⁺ functional groups.

Tafamidis in AB Pocket
Acceptor	Donor	Percent Occupancy
Tafamidis N	Thr-119(A)	63.7
Tafamidis –CO₂^-	Lys-15 (A)	8.7, 8.2, 8.1
Tafamidis –CO₂^-	Lys-15 (A)	5.9, 5.4, 5.3
Tafamidis in A’B’ Pocket
Tafamidis N	Thr-106(A′)	10.0, 7.1
Tafamidis –CO₂^-	Lys-15(B′)	5.4