Project name: 369dabbb9891d46

Chain sequence(s)	A: GSKGHFF; C: GSKGHFF; B: GSKGHFF; D: GSKGHFF
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                                          (00:00:51)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:52)

• Minimal score value: -2.7561
• Maximal score value: 2.5025
• Average score: -0.4636
• Total score value: -12.9806

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	-0.9134
2	S	A	-1.0656
3	K	A	-2.7135
4	G	A	-2.1125
5	H	A	-0.7775
6	F	A	1.0994
7	F	A	2.5025
1	G	B	-0.5322
2	S	B	-0.8549
3	K	B	-2.7561
4	G	B	0.0000
5	H	B	-1.0415
6	F	B	0.5210
7	F	B	2.3220
1	G	C	-0.4642
2	S	C	-0.8483
3	K	C	-2.6062
4	G	C	-2.4312
5	H	C	-1.1409
6	F	C	0.5669
7	F	C	2.2976
1	G	D	-0.5789
2	S	D	-0.9132
3	K	D	-2.6721
4	G	D	0.0000
5	H	D	-1.0613
6	F	D	0.7840
7	F	D	2.4095