Project name: e9e3020349addfa [mutate: SG5A]

Chain sequence(s)	A: GGGGSMMLKKILKIEELDERELIDIEVSGNHLFYANDILTHNSAS
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
pH calculations	No
alphaCutter usage	No
Dynamic mode	No
Automated mutations	No
Mutated residues	SG5A
Energy difference between WT (input) and mutated protein (by FoldX)	0.000230031 kcal/mol

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:03)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:03)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:03)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:03)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:04)
[INFO]       FoldX:    Building mutant model                                                       (00:00:31)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:00:34)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:35)

• Minimal score value: -3.6072
• Maximal score value: 1.9297
• Average score: -0.3003
• Total score value: -13.5157

The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.

residue index	residue name	chain	Aggrescan4D score	mutation
1	G	A	-0.8858
2	G	A	-1.1157
3	G	A	-1.0348
4	G	A	-0.7052
5	G	A	0.0731	mutated: SG5A
6	M	A	1.5971
7	M	A	1.9137
8	L	A	1.4838
9	K	A	-0.4930
10	K	A	-0.9964
11	I	A	1.5822
12	L	A	1.4444
13	K	A	-0.0442
14	I	A	0.7679
15	E	A	-1.7563
16	E	A	-2.1158
17	L	A	-1.1462
18	D	A	-2.7817
19	E	A	-3.6072
20	R	A	-3.2327
21	E	A	-1.9108
22	L	A	0.7175
23	I	A	1.9297
24	D	A	0.3917
25	I	A	0.3309
26	E	A	-1.4398
27	V	A	-0.6879
28	S	A	-0.8174
29	G	A	-1.2715
30	N	A	-1.5033
31	H	A	-1.1562
32	L	A	0.1999
33	F	A	1.0746
34	Y	A	1.5182
35	A	A	0.3408
36	N	A	-1.0923
37	D	A	-0.8960
38	I	A	1.5685
39	L	A	1.6718
40	T	A	0.6814
41	H	A	-0.3562
42	N	A	0.0000
43	S	A	-0.5405
44	A	A	-0.5659
45	S	A	-0.6501