Project name: GSGHKFF4

Chain sequence(s)	A: GSGHKFF; C: GSGHKFF; B: GSGHKFF; D: GSGHKFF
Selected Chain(s)	A,C,B,D
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                                          (00:01:03)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:04)

• Minimal score value: -1.6352
• Maximal score value: 3.2676
• Average score: 0.1018
• Total score value: 2.8491

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	-1.0343
2	S	A	-1.3707
3	G	A	0.0000
4	H	A	0.0000
5	K	A	0.7985
6	F	A	2.3735
7	F	A	3.2676
1	G	B	-0.8334
2	S	B	0.0000
3	G	B	-0.8574
4	H	B	0.0000
5	K	B	-0.5322
6	F	B	1.0031
7	F	B	2.3236
1	G	C	-1.1036
2	S	C	-1.2987
3	G	C	0.0000
4	H	C	-1.5995
5	K	C	-0.5745
6	F	C	1.6246
7	F	C	2.5249
1	G	D	-0.5521
2	S	D	-0.9096
3	G	D	-1.2434
4	H	D	-1.6352
5	K	D	-1.0732
6	F	D	1.0948
7	F	D	2.4563