Project name: query_structure

Chain sequence(s)	A: GISASPWGNGTGLDWKLLTG
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                                          (00:00:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:10)

• Minimal score value: -1.5617
• Maximal score value: 1.8962
• Average score: 0.2574
• Total score value: 5.1477

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	0.3046
2	I	A	1.3619
3	S	A	0.3328
4	A	A	-0.1356
5	S	A	-0.3810
6	P	A	-0.1886
7	W	A	0.3986
8	G	A	-0.8735
9	N	A	-1.5617
10	G	A	-1.0231
11	T	A	-0.2919
12	G	A	-0.1586
13	L	A	1.0742
14	D	A	0.6939
15	W	A	1.1489
16	K	A	0.0829
17	L	A	1.6528
18	L	A	1.8962
19	T	A	0.6092
20	G	A	0.2057