Project name: query_structure

Chain sequence(s)	A: GGTCLAIEGPTLRQWLCARA
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                                          (00:00:15)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:16)

• Minimal score value: -1.9655
• Maximal score value: 2.5332
• Average score: -0.0104
• Total score value: -0.2076

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	-0.9904
2	G	A	-1.0104
3	T	A	0.3068
4	C	A	1.9191
5	L	A	2.5332
6	A	A	0.8995
7	I	A	0.0997
8	E	A	-1.8926
9	G	A	-1.2963
10	P	A	-0.6709
11	T	A	-0.2887
12	L	A	-0.1469
13	R	A	-1.9655
14	Q	A	-0.7356
15	W	A	1.5828
16	L	A	2.4089
17	C	A	1.5422
18	A	A	0.1008
19	R	A	-1.6569
20	A	A	-0.9464