Project name: query_structure

Chain sequence(s)	A: GILDTLKQFAKGVGKDLVKGAAQGVLSTVSCKLAKTC
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                                          (00:00:31)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:31)

• Minimal score value: -1.8838
• Maximal score value: 2.3178
• Average score: 0.1003
• Total score value: 3.7109

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	0.4507
2	I	A	1.9787
3	L	A	1.4076
4	D	A	-0.6904
5	T	A	0.3702
6	L	A	1.1605
7	K	A	-0.9881
8	Q	A	-0.9295
9	F	A	0.8477
10	A	A	-0.3964
11	K	A	-1.5860
12	G	A	-0.6515
13	V	A	0.7294
14	G	A	-0.3728
15	K	A	-1.7106
16	D	A	-1.8838
17	L	A	0.3228
18	V	A	0.2715
19	K	A	-1.6464
20	G	A	-0.7047
21	A	A	0.4337
22	A	A	-0.1013
23	Q	A	-0.5648
24	G	A	0.5706
25	V	A	1.9010
26	L	A	2.3178
27	S	A	1.1087
28	T	A	0.0000
29	V	A	1.8990
30	S	A	1.0899
31	C	A	0.5887
32	K	A	-0.4229
33	L	A	0.7461
34	A	A	-0.1895
35	K	A	-1.3127
36	T	A	-0.3593
37	C	A	0.0270