Project name: 80bd4dd6b772b58

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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:40)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:42)

• Minimal score value: -3.831
• Maximal score value: 0.0
• Average score: -2.7834
• Total score value: -77.9348

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	-1.3884
2	G	A	-2.4821
3	H	A	-3.2322
4	K	A	-3.7768
5	G	A	0.0000
6	H	A	-3.5113
7	K	A	-3.3348
1	G	B	-1.3671
2	G	B	-2.1703
3	H	B	-3.3657
4	K	B	-3.5818
5	G	B	-3.7997
6	H	B	-3.3088
7	K	B	-3.2577
1	G	C	-1.5460
2	G	C	-2.2817
3	H	C	-3.5259
4	K	C	-3.7677
5	G	C	-3.8310
6	H	C	-3.4577
7	K	C	-3.3326
1	G	D	-1.4020
2	G	D	-2.5177
3	H	D	-3.2589
4	K	D	-3.6247
5	G	D	0.0000
6	H	D	-3.5303
7	K	D	-3.2819