Project name: FYGHKYF4

Chain sequence(s)	A: FYGHKYF; C: FYGHKYF; B: FYGHKYF; D: FYGHKYF
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                                          (00:00:49)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:51)

• Minimal score value: -1.0825
• Maximal score value: 3.064
• Average score: 1.3812
• Total score value: 38.6741

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	F	A	2.0580
2	Y	A	2.5417
3	G	A	2.0787
4	H	A	0.2023
5	K	A	0.0177
6	Y	A	1.3650
7	F	A	1.9194
1	F	B	2.7011
2	Y	B	1.5163
3	G	B	-0.2650
4	H	B	-0.7625
5	K	B	-1.0139
6	Y	B	1.2278
7	F	B	2.0775
1	F	C	2.1871
2	Y	C	3.0640
3	G	C	1.6426
4	H	C	0.9999
5	K	C	2.4523
6	Y	C	2.7193
7	F	C	2.9684
1	F	D	2.5228
2	Y	D	2.4325
3	G	D	0.1555
4	H	D	-1.0825
5	K	D	-1.0768
6	Y	D	1.4060
7	F	D	2.6189