Table 2.
Amino acid differences across species compared to human LFABP that predict different bioaccumulation potential.
| Human Amino Acid Position |
Type 1 Primates, Ruminants, Whales/dolphins |
Type 2 Rodents and other mammals, Fish, Amphibians, Testudines |
Type 3 Aves, Lepidosauria Chondrichthyes |
Type 4 Crocodylia |
SeqAPASS Level 3 Prediction of Similar to Human LFABP Template |
Mutation in DUET |
Stability Change from DUET (ΔΔG, kcal/mol) |
|---|---|---|---|---|---|---|---|
| 50 | Phenylalanine (F) | Valine (V) Isoleucine (I) Leucine (L) |
Valine Isoleucine Leucine |
Phenylalanine | Yes No No No |
F50V F50I F50L |
−1.196 (Destabilizing) −0.808 (Destabilizing) −0.893 (Destabilizing) |
| 54 | Alanine (A) | Threonine (T) | Threonine | Threonine | Yes No |
A54T | −0.195 (Destabilizing) |
| 81 | Threonine | Alanine Glycine (G) |
Alanine | Threonine | Yes No No |
T81A T81G |
−0.749 (Destabilizing) −0.023 (Destabilizing) |
| 93 | Threonine | Threonine Valine |
Alanine | Yes Yes No |
T93V T93A |
0.031 (Stabilizing) −1.004 (Destabilizing) |
|
| 97 | Asparagine (N) | Glycine | Glycine | Glycine | Yes No |
N97G | 0.521 (Stabilizing) |