Project name: GHKGHKS2

Chain sequence(s)	A: GHKGHKS; B: GHKGHKS
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                                          (00:00:20)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:21)

• Minimal score value: -4.133
• Maximal score value: -1.3207
• Average score: -3.0162
• Total score value: -42.2274

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	-4.0184
2	H	A	-3.8882
3	K	A	-4.1330
4	G	A	-3.1294
5	H	A	-2.6952
6	K	A	-2.6755
7	S	A	-1.3207
1	G	B	-2.0479
2	H	B	-3.1038
3	K	B	-3.9639
4	G	B	-3.6545
5	H	B	-3.2159
6	K	B	-3.0253
7	S	B	-1.3557