Project name: query_structure

Chain sequence(s)	A: EDNCIAEDYGKCTWGGTKCCRGRPCRCSMIGTNCECTPRLIMEGLSFA
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                                          (00:00:46)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:47)

• Minimal score value: -3.4917
• Maximal score value: 2.3698
• Average score: -0.8112
• Total score value: -38.936

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	E	A	-3.0034
2	D	A	-3.4917
3	N	A	-2.6504
4	C	A	-1.7867
5	I	A	-1.9665
6	A	A	-1.7665
7	E	A	-2.7765
8	D	A	-2.5319
9	Y	A	-1.1191
10	G	A	-2.0965
11	K	A	-3.0220
12	C	A	0.0000
13	T	A	-1.0349
14	W	A	0.1373
15	G	A	-0.3535
16	G	A	-1.2364
17	T	A	-1.8816
18	K	A	-2.3944
19	C	A	0.0000
20	C	A	-1.1345
21	R	A	-2.2683
22	G	A	-1.8708
23	R	A	-1.7519
24	P	A	-1.7238
25	C	A	-1.3249
26	R	A	-2.1125
27	C	A	-0.7481
28	S	A	0.2379
29	M	A	1.5512
30	I	A	2.0767
31	G	A	0.5088
32	T	A	-0.4120
33	N	A	-1.6810
34	C	A	0.0000
35	E	A	-2.6225
36	C	A	0.0000
37	T	A	-1.4421
38	P	A	-1.1128
39	R	A	-1.0323
40	L	A	1.3410
41	I	A	2.3698
42	M	A	1.6549
43	E	A	-0.5286
44	G	A	0.0190
45	L	A	1.3994
46	S	A	1.3077
47	F	A	2.1623
48	A	A	1.1761