Project name: 12344

Chain sequence(s)	A: GGWAKRQKLWLLKVTRHGRV
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:57)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:58)

• Minimal score value: -2.3225
• Maximal score value: 1.1575
• Average score: -0.8078
• Total score value: -16.1553

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	-0.7621
2	G	A	-1.0483
3	W	A	-0.5838
4	A	A	-1.1725
5	K	A	-2.3225
6	R	A	-2.0810
7	Q	A	-1.1278
8	K	A	-1.0488
9	L	A	0.3758
10	W	A	0.6481
11	L	A	1.1575
12	L	A	0.7607
13	K	A	-0.5515
14	V	A	0.2727
15	T	A	-0.6625
16	R	A	-2.3122
17	H	A	-1.8277
18	G	A	-1.7916
19	R	A	-2.0233
20	V	A	-0.0545