Table 3. Effects of epitopic missense variants on VEGFA-Ranibizumab interaction.
Amino acid positiona |
Amino acid change |
Antibody chains |
∆∆G (Kcal/mol)b |
MutaBind2 |
PPcheckc |
||||
mCSM-PPI2 |
SAAMBE-3D |
MutaBind2 |
BeAtMusic V1.0 |
||||||
WT |
H |
-449.45 |
|||||||
L |
-19.53 |
||||||||
rs114262569 |
82 |
R>W |
H |
1.294 |
1.13 |
3.1 |
-0.01 |
3.31 |
-458.53 |
L |
0.9 |
-19.54 |
|||||||
rs367757959 |
82 |
R>Q |
H |
1.291 |
1.9 |
1.86 |
0.97 |
1.99 |
-457.15 |
L |
1.22 |
-19.54 |
|||||||
rs767587788 |
83 |
I>L |
H |
1.15 |
0.72 |
0.76 |
0.78 |
0.93 |
-447.01 |
L |
0.93 |
-19.56 |
|||||||
rs1284410244 |
87 |
Q>R |
H |
-0.057 |
1.17 |
0.73 |
1.07 |
0.26 |
-449.03 |
L |
1.3 |
-19.96 |
|||||||
rs1275152500 |
88 |
G>S |
|
-1.276 |
0.52 |
2.8 |
1.01 |
2.64 |
-465.75 |
|
0.56 |
-19.44 |
a Amino acid positions were calculated excluding the signal peptide (26 amino acids).
bPositive values of ∆∆G indicate decreasing affinity.
cThe calculations with PPcheck for wild type structure was done with the Swiss model prepared 3D model.