Project name: bcf944ca01ce7af

Chain sequence(s)	A: GGGHKFG; C: GGGHKFG; B: GGGHKFG; D: GGGHKFG
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           (00:00:01)
[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                                          (00:00:30)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:31)

• Minimal score value: -2.6111
• Maximal score value: -0.5424
• Average score: -1.5826
• Total score value: -44.3126

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	-1.1730
2	G	A	-1.4705
3	G	A	-2.1804
4	H	A	-1.8909
5	K	A	-2.5457
6	F	A	-1.1347
7	G	A	-0.7814
1	G	B	-1.1125
2	G	B	-1.5654
3	G	B	-2.1627
4	H	B	-2.4297
5	K	B	-2.4744
6	F	B	-0.5424
7	G	B	-0.5732
1	G	C	-1.1091
2	G	C	-1.5324
3	G	C	-2.0521
4	H	C	-2.0906
5	K	C	-2.6111
6	F	C	-1.2400
7	G	C	-0.8372
1	G	D	-1.1736
2	G	D	-1.4868
3	G	D	-2.2324
4	H	D	-2.1930
5	K	D	-2.4611
6	F	D	-0.6003
7	G	D	-0.6560