Project name: b3e789313c20181

Chain sequence(s)	A: KLDLKLDLKLDL; B: KLDLKLDLKLDL
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                                          (00:00:46)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:47)

• Minimal score value: -2.5607
• Maximal score value: 0.3932
• Average score: -1.3865
• Total score value: -33.2768

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	K	A	-1.9117
2	L	A	-0.7071
3	D	A	-2.4204
4	L	A	-0.7923
5	K	A	-2.5418
6	L	A	-1.0681
7	D	A	-2.5607
8	L	A	-0.6921
9	K	A	-2.1489
10	L	A	-0.6524
11	D	A	-1.6875
12	L	A	0.3932
1	K	B	-1.7613
2	L	B	-0.4269
3	D	B	-2.2820
4	L	B	-0.7184
5	K	B	-2.4756
6	L	B	-0.9104
7	D	B	-2.5564
8	L	B	-0.8254
9	K	B	-2.2873
10	L	B	-0.8105
11	D	B	-1.7813
12	L	B	0.3485