Project name: 614e6e1591ced81

Chain sequence(s)	A: KGHKGHG; C: KGHKGHG; B: KGHKGHG; D: KGHKGHG
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]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:41)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:42)

• Minimal score value: -3.5619
• Maximal score value: -1.3592
• Average score: -2.7294
• Total score value: -76.422

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	K	A	-2.9432
2	G	A	-2.6537
3	H	A	-3.0629
4	K	A	-3.2670
5	G	A	-2.5933
6	H	A	-2.2770
7	G	A	-1.3592
1	K	B	-3.3472
2	G	B	-3.1415
3	H	B	-3.1115
4	K	B	-3.1396
5	G	B	-2.6433
6	H	B	-2.3255
7	G	B	-1.6033
1	K	C	-3.5619
2	G	C	-3.1500
3	H	C	-3.1623
4	K	C	-3.2741
5	G	C	-2.8179
6	H	C	-2.6674
7	G	C	-1.7064
1	K	D	-2.8071
2	G	D	-2.9522
3	H	D	-3.1484
4	K	D	-3.3338
5	G	D	-2.5137
6	H	D	-2.3624
7	G	D	-1.4962