Project name: 1shg_MZ [mutate: VA23A]

Chain sequence(s)	A: KELVLALYDYQEKSPREVTMKKGDILTLLNSTNKDWWKVEVNDRQGFVPAAYVKKLD
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	VA23A
Energy difference between WT (input) and mutated protein (by FoldX)	2.04275 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: -3.4796
• Maximal score value: 0.934
• Average score: -1.2662
• Total score value: -72.1716

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	-2.1785
7	E	A	-2.0628
8	L	A	-0.4266
9	V	A	0.0000
10	L	A	0.1535
11	A	A	0.0000
12	L	A	-0.2809
13	Y	A	-0.7397
14	D	A	-2.5841
15	Y	A	0.0000
16	Q	A	-2.3560
17	E	A	-2.2509
18	K	A	-2.5146
19	S	A	-1.6575
20	P	A	-1.3035
21	R	A	-1.8260
22	E	A	0.0000
23	A	A	0.0000	mutated: VA23A
24	T	A	-1.8417
25	M	A	0.0000
26	K	A	-3.0249
27	K	A	-2.5344
28	G	A	-1.3551
29	D	A	-0.9509
30	I	A	0.9340
31	L	A	0.0000
32	T	A	-0.7330
33	L	A	0.0000
34	L	A	-0.8179
35	N	A	-1.0904
36	S	A	-1.4291
37	T	A	-1.5864
38	N	A	-2.8393
39	K	A	-3.1620
40	D	A	-2.8137
41	W	A	-1.5151
42	W	A	-1.0402
43	K	A	-1.1120
44	V	A	0.0000
45	E	A	-1.9649
46	V	A	-2.1543
47	N	A	-2.6222
48	D	A	-3.4796
49	R	A	-3.3953
50	Q	A	-2.8415
51	G	A	0.0000
52	F	A	-0.7775
53	V	A	0.0000
54	P	A	-0.5866
55	A	A	-1.2606
56	A	A	-0.3168
57	Y	A	0.1279
58	V	A	0.0000
59	K	A	-1.3142
60	K	A	-1.6058
61	L	A	-0.8134
62	D	A	-2.2271