Project name: GHKGHKG4

Chain sequence(s)	A: GHKGHKG; C: GHKGHKG; B: GHKGHKG; D: GHKGHKG
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                                          (00:02:19)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:20)

• Minimal score value: -5.4894
• Maximal score value: 0.0
• Average score: -3.868
• Total score value: -108.305

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	0.0000
2	H	A	-4.2844
3	K	A	-4.9532
4	G	A	-4.4445
5	H	A	-4.7145
6	K	A	-4.1657
7	G	A	-2.2852
1	G	B	-3.9705
2	H	B	-4.7566
3	K	B	-5.3108
4	G	B	0.0000
5	H	B	-4.9057
6	K	B	-4.9743
7	G	B	-3.5870
1	G	C	-2.4015
2	H	C	-4.6031
3	K	C	-5.4894
4	G	C	-4.8550
5	H	C	-4.8486
6	K	C	-4.3370
7	G	C	-2.4495
1	G	D	-3.7182
2	H	D	-4.2533
3	K	D	-4.7805
4	G	D	-3.9198
5	H	D	-4.3319
6	K	D	-3.6261
7	G	D	-2.3387