|
Predicted
|
Experimental
|
|---|
|
Mutations suggested
|
Template
|
ΔΔGp
|
Mutation validated
|
ΔΔGea
|
Source
|
|---|
|
PDB/chain
|
R1
|
R2
|
|---|
|
S44K/K48N
|
3lk4-W
|
K237
|
N241
|
− 0.432
|
S44K
|
− 0.2
|
[25]
|
|
K147E/T151Y
|
3ub9-A
|
E48
|
Y52
|
−0.415
|
K147E
|
−0.1
|
[26]
|
|
N40R/S44W
|
1w35-A
|
R163
|
W167
|
− 0.41
|
S44W
|
− 0.05
|
[25]
|
|
S44Q/K48Y
|
1c27-A
|
Q130
|
Y134
|
−0.201
|
S44Q
|
−0.27
|
[25]
|
- Mutations predicted by Proteus (left). Mutations with experimental evidence (right). R1: first amino acid residue from the template where the mutation pair was extracted; R2: second amino acid residue from the template where the mutation pair was extracted; ΔΔG: Gibbs free energy variation (ΔΔGp: predicted; ΔΔGe: experimental). The predicted mutations are available at http://proteus.dcc.ufmg.br/result/id/SYLX52 (details were included in the supplementary material: Tables S6 and S11). a ΔΔGe was multiplied for − 1 because of ProTherm uses a different ΔΔG definition when compared to MAESTRO. ProTherm considers positive values of ΔΔG as stabilizing, while MAESTRO considers negative values of ΔΔG as stabilizing. While one of them uses ΔG = Gfolded-Gunfolded, the other uses ΔG = Gunfolded-Gfolded
