Project name: query_structure

Chain sequence(s)	A: GGVCPKILQRCRRDSDCPGACICRGNGYCGSGSD
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                                          (00:00:19)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:20)

• Minimal score value: -4.1902
• Maximal score value: 1.5313
• Average score: -1.0154
• Total score value: -34.5228

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	-0.9096
2	G	A	0.2265
3	V	A	1.2906
4	C	A	0.8319
5	P	A	-0.0517
6	K	A	-0.4316
7	I	A	1.5313
8	L	A	1.3519
9	Q	A	-0.4269
10	R	A	-2.5526
11	C	A	-3.0659
12	R	A	-3.8606
13	R	A	-4.1902
14	D	A	-3.3684
15	S	A	-2.2501
16	D	A	-2.9574
17	C	A	0.0000
18	P	A	-0.5589
19	G	A	-0.0734
20	A	A	0.4084
21	C	A	0.0000
22	I	A	-0.5654
23	C	A	-2.3969
24	R	A	-2.7027
25	G	A	-1.8303
26	N	A	-2.0895
27	G	A	-2.3193
28	Y	A	-1.2841
29	C	A	0.0000
30	G	A	-0.8771
31	S	A	-0.2006
32	G	A	0.3245
33	S	A	0.0345
34	D	A	-1.5592