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]                                                (00:00:00)
[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                                          (00:00:15)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:15)

• Minimal score value: -2.3752
• Maximal score value: 2.9549
• Average score: 0.3866
• Total score value: 11.5972

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	-0.6548
2	L	A	0.8171
3	P	A	0.0311
4	C	A	0.5276
5	G	A	-0.3432
6	E	A	0.0678
7	S	A	0.2689
8	C	A	0.8983
9	V	A	1.5698
10	F	A	2.7829
11	I	A	2.6638
12	P	A	1.5787
13	C	A	0.0000
14	I	A	2.7459
15	T	A	2.0258
16	T	A	1.9483
17	V	A	2.9549
18	V	A	2.7052
19	G	A	0.8375
20	C	A	0.0000
21	S	A	-0.4385
22	C	A	-0.7256
23	K	A	-2.2887
24	N	A	-2.3752
25	K	A	-1.7123
26	V	A	-0.9172
27	C	A	0.0000
28	Y	A	-0.7509
29	N	A	-0.7432
30	D	A	-1.8768