Project name: 349bddc5fb82875

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                                          (00:00:48)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:48)

• Minimal score value: -4.2276
• Maximal score value: -0.9788
• Average score: -3.0469
• Total score value: -85.3121

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	-0.9788
2	G	A	-1.6046
3	H	A	-2.8357
4	K	A	-3.7362
5	G	A	-4.1798
6	H	A	-3.4682
7	K	A	-3.9793
1	S	B	-1.2923
2	G	B	-1.8064
3	H	B	-3.1092
4	K	B	-3.9139
5	G	B	-3.9274
6	H	B	-3.4315
7	K	B	-3.6210
1	S	C	-1.3825
2	G	C	-1.9501
3	H	C	-3.2554
4	K	C	-4.0604
5	G	C	-4.0622
6	H	C	-3.4697
7	K	C	-3.7954
1	S	D	-1.1093
2	G	D	-1.8002
3	H	D	-3.1611
4	K	D	-3.8067
5	G	D	-4.2276
6	H	D	-3.4820
7	K	D	-3.8652