Project name: Acidic peptide_2

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

• Minimal score value: -7.2946
• Maximal score value: -3.0702
• Average score: -5.1951
• Total score value: -124.6814

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	E	A	-3.4573
2	D	A	-4.3078
3	E	A	-4.8254
4	D	A	-5.0540
5	E	A	-5.0427
6	D	A	-5.2211
7	E	A	-5.4693
8	D	A	-7.1411
9	E	A	-6.3443
10	D	A	-7.2946
11	E	A	-4.8882
12	D	A	-4.0260
1	E	B	-3.0702
2	D	B	-3.8564
3	E	B	-4.4048
4	D	B	-4.6051
5	E	B	-4.6629
6	D	B	-5.4830
7	E	B	-5.4838
8	D	B	-7.0230
9	E	B	-6.7434
10	D	B	-7.2290
11	E	B	-5.0386
12	D	B	-4.0094