Project name: db7982ce4b33955 [mutate: SN331A]

Chain sequence(s)	A: GAVVYSSGSLYFQ
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	SN331A
Energy difference between WT (input) and mutated protein (by FoldX)	-0.55943 kcal/mol

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:01)
[INFO]       FoldX:    Building mutant model                                                       (00:00:05)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:00:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:08)

• Minimal score value: -0.2804
• Maximal score value: 3.7618
• Average score: 1.9512
• Total score value: 23.4147

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
326	G	A	0.1558
327	A	A	2.0846
328	V	A	3.4060
329	V	A	3.7618
330	Y	A	2.2411
331	N	A	-0.2804	mutated: SN331A
332	G	A	0.1299
333	S	A	1.7390
334	L	A	3.5886
335	Y	A	3.6930
336	F	A	2.7839
337	Q	A	0.1114