Project name: GSKGHFF2

Chain sequence(s)	A: GSKGHFF; B: GSKGHFF
Selected Chain(s)	A,B
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

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 all chain(s) selected           (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:30)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:31)

• Minimal score value: -3.6841
• Maximal score value: 3.3489
• Average score: -0.7938
• Total score value: -11.1127

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
1	G	A	-2.0500
2	S	A	-2.7872
3	K	A	-3.6620
4	G	A	-1.8245
5	H	A	-0.4171
6	F	A	2.3853
7	F	A	3.3489
1	G	B	-2.1779
2	S	B	-2.7958
3	K	B	-3.6841
4	G	B	-1.9541
5	H	B	-0.4665
6	F	B	2.2149
7	F	B	2.7574