Table 1.
Mutation | Soluble | Insoluble | Crystallize | Δ #Neighbors | Pseudo ΔΔG kcal/mol|prediction | Final structure | |
---|---|---|---|---|---|---|---|
WT | ✓ | ✓ | – | – | Yes | ||
A2Y | ✓ | – | +6 | −0.02 | n | ||
A2I | ✓ | ✓ | +1 | −0.30 | n | ||
A2T | ✓ | ✓ | +1 | −0.6 | sd | ||
I9L | ✓ | ✓ | 0 | −0.59 | sd | ||
T11Y | X | ✓ | – | +3 | +1.39 | s | |
F17N | ✓ | – | −4 | −1.89 | d | ||
M19A | ✓ | – | −2 | +0.91 | ss | ||
A23N | ✓ | – | 0 | −3.62 | hd | ||
L25S | X | ✓ | – | −3 | −4.56 | hd | |
R27L | ✓ | ✓ | −2 | −0.08 | n | Yes | |
R27V | ✓ | ✓ | −1 | −0.82 | sd | ||
K28C | ✓ | ✓ | −1 | +0.56 | ss | ||
G29C | ✓ | – | +2 | −0.44 | n | ||
E34L | ✓ | – | 0 | +1.00 | ss | ||
A43G | ✓ | – | −1 | −3.54 | hd | ||
A43I | ✓ | ✓ | +2 | +0.27 | n | ||
A43T | ✓ | ✓ | +3 | −2.29 | hd | ||
A49H | ✓ | ✓ | +2 | −2.10 | hd | ||
A49W | ✓ | ✓ | +4 | −2.32 | hd | ||
A51E | ✓ | – | +4 | −2.84 | hd | ||
R55A | ✓ | ✓ | −4 | +0.11 | n | ||
G68Y | X | ✓ | – | +1 | +3.18 | hs | |
G69F | ✓ | – | +3 | +1.83 | s | ||
C70S | ✓ | – | 0 | −3.69 | hd | ||
A75I | ✓ | ✓ | 0 | −1.19 | d | Yes | |
A79S | ✓ | ✓ | 0 | −0.58 | ds | Yes | |
P84R | ✓ | ✓ | +3 | +1.65 | s | Yes |
Soluble = mutant protein could be purified from bacterial lysate.
Insoluble = no mutant protein could be purified from bacterial lysate.
Crystallize = were crystals of any quality grown?
Δ #Neighbors = residues which could cause potential collisions in this crystallographic setting.
Pseudo ΔΔG (kcal/mol) n, neutral; sd, slightly destabilizing; s, stabilizing; d, destabilizing; hd, highly destabilizing; ss, slightly stabilizing; hs, highly stabilizing.
Structure = Was a refined crystal structure produced?