Project name: query_structure

Chain sequence(s)	A: AGETCVGGTCNTPGATCSWPVCTRNGLPV
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                                          (00:00:03)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:04)

• Minimal score value: -1.6329
• Maximal score value: 1.8802
• Average score: 0.0034
• Total score value: 0.0982

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	A	A	0.0528
2	G	A	-0.2896
3	E	A	0.0000
4	T	A	0.6912
5	C	A	0.0000
6	V	A	1.8802
7	G	A	0.4358
8	G	A	0.2731
9	T	A	-0.0519
10	C	A	-0.3790
11	N	A	-1.3578
12	T	A	-0.9644
13	P	A	-0.9409
14	G	A	-1.0807
15	A	A	-0.8286
16	T	A	-0.2528
17	C	A	0.7575
18	S	A	0.9673
19	W	A	1.7982
20	P	A	1.5440
21	V	A	1.4609
22	C	A	0.0000
23	T	A	-0.2016
24	R	A	-1.4824
25	N	A	-1.6329
26	G	A	-0.7577
27	L	A	0.4465
28	P	A	0.0978
29	V	A	-0.0868