Project name: SGHKGHK4

Chain sequence(s)	A: SGHKGHK; C: SGHKGHK; B: SGHKGHK; D: SGHKGHK
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                                          (00:01:34)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:35)

• Minimal score value: -4.4598
• Maximal score value: 0.0
• Average score: -3.0673
• Total score value: -85.8834

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	S	A	-1.6462
2	G	A	-2.2389
3	H	A	-3.2708
4	K	A	-4.2451
5	G	A	-3.7021
6	H	A	-4.2602
7	K	A	-4.4598
1	S	B	-1.8107
2	G	B	0.0000
3	H	B	-2.7788
4	K	B	-4.1825
5	G	B	-3.7894
6	H	B	-4.0670
7	K	B	-4.2234
1	S	C	-1.7923
2	G	C	-1.9267
3	H	C	-2.8333
4	K	C	-3.4483
5	G	C	-3.4302
6	H	C	-3.5377
7	K	C	-3.6352
1	S	D	-1.6006
2	G	D	-2.3396
3	H	D	-3.1456
4	K	D	-3.9284
5	G	D	-2.8118
6	H	D	-3.5369
7	K	D	-3.2419