Project name: 1shg_MZ [mutate: VA23A] [mutate: AA23E]

Chain sequence(s)	A: KELVLALYDYQEKSPREATMKKGDILTLLNSTNKDWWKVEVNDRQGFVPAAYVKKLD
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	AA23E
Energy difference between WT (input) and mutated protein (by FoldX)	3.99888 kcal/mol CAUTION: Your mutation/s can destabilize the protein structure Changes in protein stability upon mutation are calculated using the FoldX forcefield. Computational prediction of protein stability is used with the intention of preventing the experimental characterization of proteins bearing mutations that significantly destabilize their structure. Mutations resulting in a predicted reduction in protein stability ≥ 1 kcal/mol are considered disruptive.

• Minimal score value: -3.3923
• Maximal score value: 0.9405
• Average score: -1.2532
• Total score value: -71.4348

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index	residue name	chain	Aggrescan3D score	mutation
6	K	A	-2.1871
7	E	A	-2.0775
8	L	A	-0.4259
9	V	A	0.0000
10	L	A	0.1720
11	A	A	0.0000
12	L	A	-0.2699
13	Y	A	-0.7411
14	D	A	-2.5720
15	Y	A	0.0000
16	Q	A	-2.3426
17	E	A	-2.2271
18	K	A	-2.5029
19	S	A	-1.6494
20	P	A	-1.2968
21	R	A	-1.8173
22	E	A	0.0000
23	E	A	0.0000	mutated: AA23E
24	T	A	-1.8056
25	M	A	0.0000
26	K	A	-3.0200
27	K	A	-2.5317
28	G	A	-1.3531
29	D	A	-0.9490
30	I	A	0.9405
31	L	A	0.0000
32	T	A	-0.7377
33	L	A	0.0000
34	L	A	-0.8263
35	N	A	-1.0973
36	S	A	-1.4293
37	T	A	-1.5867
38	N	A	-2.8396
39	K	A	-3.1616
40	D	A	-2.8142
41	W	A	-1.5173
42	W	A	-1.0445
43	K	A	-1.1176
44	V	A	0.0000
45	E	A	-1.9094
46	V	A	-2.0922
47	N	A	-2.5722
48	D	A	-3.3923
49	R	A	-3.2160
50	Q	A	-2.7573
51	G	A	0.0000
52	F	A	-0.7769
53	V	A	0.0000
54	P	A	-0.5891
55	A	A	-1.2539
56	A	A	-0.3120
57	Y	A	0.1343
58	V	A	0.0000
59	K	A	-1.2673
60	K	A	-1.5736
61	L	A	-0.8038
62	D	A	-2.2245