Project name: query_structure

Chain sequence(s)	A: GGSVPCIETCVWTGCFLVPGCSCKSDKKCYLN
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                                          (00:00:35)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:36)

• Minimal score value: -2.7237
• Maximal score value: 2.7196
• Average score: 0.2671
• Total score value: 8.5468

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	-0.6703
2	G	A	-0.3923
3	S	A	0.0614
4	V	A	1.7135
5	P	A	0.8319
6	C	A	1.8753
7	I	A	2.4706
8	E	A	0.0000
9	T	A	0.4319
10	C	A	0.0000
11	V	A	1.5317
12	W	A	1.8187
13	T	A	1.2844
14	G	A	0.7562
15	C	A	1.6045
16	F	A	2.5342
17	L	A	2.7196
18	V	A	1.9700
19	P	A	0.6527
20	G	A	-0.1075
21	C	A	0.0000
22	S	A	-0.5455
23	C	A	-0.9103
24	K	A	-2.1756
25	S	A	-2.0522
26	D	A	-2.7237
27	K	A	-2.1061
28	K	A	-1.7619
29	C	A	0.0000
30	Y	A	0.0341
31	L	A	0.5639
32	N	A	-0.8624