Project name: Q11_2

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                                          (00:00:36)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:36)

• Minimal score value: -3.2444
• Maximal score value: 1.9022
• Average score: -1.1752
• Total score value: -25.8542

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	-2.5219
2	Q	A	-2.3816
3	K	A	-1.8083
4	F	A	0.8953
5	Q	A	0.2536
6	F	A	1.8007
7	Q	A	-0.2749
8	F	A	-0.4326
9	E	A	-2.7577
10	Q	A	-3.2444
11	Q	A	-2.9439
1	Q	B	-2.7177
2	Q	B	-2.9455
3	K	B	-2.2832
4	F	B	0.0950
5	Q	B	-0.1148
6	F	B	1.9022
7	Q	B	0.2565
8	F	B	0.7547
9	E	B	-1.9189
10	Q	B	-2.7366
11	Q	B	-2.7302