Project name: 918a024fbcf99a8

Chain sequence(s)	A: SCEEKKEQLLLYLKIYDK
Selected Chain(s)	A
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 A 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                                          (00:00:26)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:26)

• Minimal score value: -4.6845
• Maximal score value: 2.1058
• Average score: -1.2725
• Total score value: -22.9043

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	S	A	-1.4476
2	C	A	-2.0199
3	E	A	-4.0901
4	E	A	-4.6845
5	K	A	-4.4792
6	K	A	-4.0709
7	E	A	-3.8147
8	Q	A	-2.5906
9	L	A	-0.5888
10	L	A	0.2351
11	L	A	1.4261
12	Y	A	2.1058
13	L	A	1.2615
14	K	A	0.1385
15	I	A	1.8392
16	Y	A	1.1850
17	D	A	-1.5017
18	K	A	-1.8075