Project name: GSKGHFF4

Chain sequence(s)	A: GSKGHFF; C: GSKGHFF; B: GSKGHFF; D: GSKGHFF
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                                          (00:02:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:08)

• Minimal score value: -2.2438
• Maximal score value: 4.3985
• Average score: 0.4138
• Total score value: 11.5873

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	-1.8044
2	S	A	-1.7550
3	K	A	-1.7742
4	G	A	0.2814
5	H	A	1.4411
6	F	A	3.3761
7	F	A	3.5450
1	G	B	-1.6347
2	S	B	-1.7620
3	K	B	-2.1765
4	G	B	0.0000
5	H	B	0.9173
6	F	B	2.9712
7	F	B	4.3985
1	G	C	-1.5940
2	S	C	-1.8277
3	K	C	-2.2438
4	G	C	-0.6446
5	H	C	1.2687
6	F	C	3.4642
7	F	C	3.9791
1	G	D	-1.3161
2	S	D	-2.0042
3	K	D	-2.1876
4	G	D	0.0000
5	H	D	1.8641
6	F	D	2.9952
7	F	D	3.8102