Project name: query_structure

Chain sequence(s)	A: VGERCCKNGKRGCGRWCRDHSRCC
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: -3.7375
• Maximal score value: 0.6175
• Average score: -2.0077
• Total score value: -48.1845

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	V	A	0.6175
2	G	A	0.0000
3	E	A	-2.8298
4	R	A	-3.2115
5	C	A	0.0000
6	C	A	-1.9137
7	K	A	-3.2677
8	N	A	-3.0244
9	G	A	-2.2615
10	K	A	-2.6688
11	R	A	-3.2463
12	G	A	-2.8176
13	C	A	-1.8188
14	G	A	-2.2043
15	R	A	-3.0357
16	W	A	-2.0029
17	C	A	0.0000
18	R	A	-3.7375
19	D	A	-3.5276
20	H	A	-2.5975
21	S	A	0.0000
22	R	A	-2.4431
23	C	A	-1.2829
24	C	A	-0.9104