Project name: query_structure

Chain sequence(s)	A: WGVCPKVLRNCRRDSDCPGACICLGNGYCG
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                                          (00:00:11)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:12)

• Minimal score value: -3.9834
• Maximal score value: 1.5447
• Average score: -0.8684
• Total score value: -26.0516

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	W	A	1.3898
2	G	A	0.9149
3	V	A	1.5447
4	C	A	0.9209
5	P	A	-0.1195
6	K	A	-1.1036
7	V	A	-0.3214
8	L	A	0.2537
9	R	A	-2.1196
10	N	A	-2.5598
11	C	A	0.0000
12	R	A	-3.8829
13	R	A	-3.9834
14	D	A	-2.9697
15	S	A	-2.6025
16	D	A	-3.7450
17	C	A	0.0000
18	P	A	-0.9989
19	G	A	-0.3233
20	A	A	0.4163
21	C	A	0.0000
22	I	A	0.1126
23	C	A	-1.4570
24	L	A	-0.3500
25	G	A	-0.9407
26	N	A	-1.5141
27	G	A	-1.6415
28	Y	A	-0.9596
29	C	A	0.0000
30	G	A	-0.0120