Project name: GGKGHFF4

Chain sequence(s)	A: GGKGHFF; C: GGKGHFF; B: GGKGHFF; D: GGKGHFF
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                                          (00:02:10)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:11)

• Minimal score value: -3.0257
• Maximal score value: 3.8133
• Average score: 0.1457
• Total score value: 4.0782

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	-1.7884
2	G	A	-2.6021
3	K	A	-3.0257
4	G	A	-0.8340
5	H	A	0.0000
6	F	A	2.3031
7	F	A	3.7958
1	G	B	-1.6028
2	G	B	-1.4580
3	K	B	-2.1497
4	G	B	-0.4504
5	H	B	0.8639
6	F	B	1.4745
7	F	B	2.1451
1	G	C	-1.7463
2	G	C	-1.5200
3	K	C	-1.6063
4	G	C	0.0000
5	H	C	1.9492
6	F	C	3.8133
7	F	C	3.5182
1	G	D	-1.2469
2	G	D	-1.4748
3	K	D	-1.2554
4	G	D	0.0000
5	H	D	2.1079
6	F	D	2.6071
7	F	D	2.2609