Project name: GGHKGHK4

Chain sequence(s)	A: GGHKGHK; C: GGHKGHK; B: GGHKGHK; D: GGHKGHK
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                                          (00:01:30)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:31)

• Minimal score value: -5.0105
• Maximal score value: 0.0
• Average score: -3.0895
• Total score value: -86.5064

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	-2.2151
2	G	A	-2.8341
3	H	A	-3.9745
4	K	A	-4.8405
5	G	A	-3.7649
6	H	A	-3.6168
7	K	A	-3.3490
1	G	B	-2.8486
2	G	B	-3.1234
3	H	B	-3.8406
4	K	B	-5.0105
5	G	B	0.0000
6	H	B	-3.5698
7	K	B	-3.5201
1	G	C	-2.5691
2	G	C	-2.8892
3	H	C	-2.9680
4	K	C	-3.6832
5	G	C	-2.7665
6	H	C	-2.9900
7	K	C	-2.4521
1	G	D	-1.7959
2	G	D	-2.8280
3	H	D	-3.3531
4	K	D	-3.9461
5	G	D	-2.8325
6	H	D	-2.4694
7	K	D	-2.4554