Project name: SGHKGHK2

Chain sequence(s)	A: SGHKGHK; B: SGHKGHK
Selected Chain(s)	A,B
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                                          (00:00:23)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:23)

• Minimal score value: -3.8033
• Maximal score value: 0.0
• Average score: -2.9459
• Total score value: -41.2423

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	-3.2064
2	G	A	-3.6144
3	H	A	-3.5297
4	K	A	-3.8033
5	G	A	-2.8873
6	H	A	-2.6722
7	K	A	-2.6112
1	S	B	-3.4012
2	G	B	0.0000
3	H	B	-3.4423
4	K	B	-3.7531
5	G	B	-2.9307
6	H	B	-2.8895
7	K	B	-2.5010