Project name: 2ce784aff71667e

Chain sequence(s)	A: EDEDEDEDEDEDGGKGHFG; B: EDEDEDEDEDEDGGKGHFG
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                                          (00:00:31)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:32)

• Minimal score value: -6.6364
• Maximal score value: -0.1205
• Average score: -3.9635
• Total score value: -150.6148

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	-3.6828
2	D	A	-4.9795
3	E	A	-5.0903
4	D	A	-5.6523
5	E	A	-6.0919
6	D	A	-6.6364
7	E	A	-6.2769
8	D	A	-6.1618
9	E	A	-5.9914
10	D	A	-5.8043
11	E	A	-5.4015
12	D	A	-4.5392
13	G	A	-3.1996
14	G	A	-1.9922
15	K	A	-2.7492
16	G	A	-1.9301
17	H	A	-1.5689
18	F	A	-0.5968
19	G	A	-1.2040
1	E	B	-3.6261
2	D	B	-4.7886
3	E	B	-4.7660
4	D	B	-5.2866
5	E	B	-5.3299
6	D	B	-5.2785
7	E	B	-5.3147
8	D	B	-5.6971
9	E	B	-4.9783
10	D	B	-4.7038
11	E	B	-4.1513
12	D	B	-4.0056
13	G	B	-2.3589
14	G	B	-1.8784
15	K	B	-2.8781
16	G	B	-1.8266
17	H	B	-1.7767
18	F	B	-0.1205
19	G	B	-2.3000