Project name: query_structure

Chain sequence(s)	A: GCGGLMAGCDGKSTFCCSGYNCSPTWKWCVYARP
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                                          (00:00:40)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:41)

• Minimal score value: -2.7509
• Maximal score value: 2.2391
• Average score: -0.174
• Total score value: -5.9152

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	0.2636
2	C	A	0.8323
3	G	A	0.8101
4	G	A	1.3422
5	L	A	2.2391
6	M	A	1.8219
7	A	A	0.4546
8	G	A	-0.5416
9	C	A	0.0000
10	D	A	-2.7509
11	G	A	-2.0588
12	K	A	-2.3333
13	S	A	-1.0241
14	T	A	-0.5974
15	F	A	1.3518
16	C	A	0.0000
17	C	A	0.7240
18	S	A	0.1081
19	G	A	-0.3499
20	Y	A	0.5741
21	N	A	-0.5817
22	C	A	0.0000
23	S	A	-0.8438
24	P	A	-1.4187
25	T	A	-0.3801
26	W	A	0.1658
27	K	A	-1.8504
28	W	A	-0.4771
29	C	A	0.0000
30	V	A	1.2522
31	Y	A	1.0975
32	A	A	-0.6290
33	R	A	-1.8369
34	P	A	-1.2788