Project name: bcf5cb7032c3303

Chain sequence(s)	A: QQKFQFQFEQQ; B: QQKFQFQFEQQ
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                                          (00:00:34)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:34)

• Minimal score value: -3.4959
• Maximal score value: 1.1347
• Average score: -1.9983
• Total score value: -43.9617

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	Q	A	-3.3269
2	Q	A	-3.3225
3	K	A	-3.3992
4	F	A	-0.9375
5	Q	A	-0.9796
6	F	A	0.8316
7	Q	A	-0.8906
8	F	A	-0.4769
9	E	A	-3.4687
10	Q	A	-3.3787
11	Q	A	-3.3108
1	Q	B	-3.4660
2	Q	B	-3.4677
3	K	B	-3.4959
4	F	B	-1.0307
5	Q	B	-0.9353
6	F	B	1.1347
7	Q	B	-0.7008
8	F	B	-0.1690
9	E	B	-3.1855
10	Q	B	-2.8908
11	Q	B	-3.0949