Project name: query_structure

Chain sequence(s)	A: GLPCGESCVFIPCITTVVGCSCKNKVCYND
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:20)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:20)

• Minimal score value: -2.3482
• Maximal score value: 2.9816
• Average score: 0.3681
• Total score value: 11.0443

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	-0.7564
2	L	A	0.7209
3	P	A	-0.0119
4	C	A	0.2853
5	G	A	-0.3763
6	E	A	0.0590
7	S	A	0.2834
8	C	A	1.0019
9	V	A	1.7396
10	F	A	2.9816
11	I	A	2.9747
12	P	A	1.6545
13	C	A	0.0000
14	I	A	2.7517
15	T	A	1.9516
16	T	A	1.8665
17	V	A	2.9279
18	V	A	2.4615
19	G	A	0.7002
20	C	A	0.0000
21	S	A	-0.4804
22	C	A	-0.7421
23	K	A	-2.2720
24	N	A	-2.3482
25	K	A	-1.6709
26	V	A	-0.9682
27	C	A	0.0000
28	Y	A	-0.8129
29	N	A	-1.0429
30	D	A	-1.8338