Project name: pep3

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

• Minimal score value: -2.4987
• Maximal score value: 2.7365
• Average score: 0.1247
• Total score value: 3.9888

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	G	A	0.1024
2	I	A	1.4795
3	G	A	0.4870
4	G	A	0.0456
5	K	A	-0.2720
6	I	A	1.6428
7	L	A	1.3723
8	S	A	0.0303
9	G	A	0.0217
10	F	A	0.9944
11	K	A	-1.0788
12	D	A	-1.5003
13	L	A	0.2063
14	L	A	-0.4687
15	K	A	-2.1420
16	G	A	-1.3169
17	A	A	-0.5632
18	A	A	-0.6665
19	K	A	-1.4526
20	A	A	-0.1927
21	L	A	1.4435
22	V	A	1.6048
23	K	A	0.3997
24	T	A	1.8376
25	V	A	2.7365
26	L	A	2.2800
27	F	A	1.8167
28	F	A	1.6590
29	S	A	-0.1153
30	K	A	-1.6793
31	K	A	-2.2243
32	D	A	-2.4987