Project name: query_structure

Chain sequence(s)	A: EVCSEQAETGPCRAMISRWYFDVTEGKCAPFFYGGGGNRNNFDTEEYCMAVCGSA
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                                          (00:01:15)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:16)

• Minimal score value: -2.6885
• Maximal score value: 1.6035
• Average score: -0.663
• Total score value: -36.4645

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	-2.1509
2	V	A	-1.5007
3	C	A	-0.8556
4	S	A	-0.9958
5	E	A	-2.3389
6	Q	A	-2.1018
7	A	A	-1.6153
8	E	A	-1.9955
9	T	A	-0.5238
10	G	A	-0.8155
11	P	A	-0.7285
12	C	A	-0.4210
13	R	A	-1.1467
14	A	A	0.1781
15	M	A	1.4972
16	I	A	1.2707
17	S	A	0.5262
18	R	A	-0.4333
19	W	A	-0.7462
20	Y	A	-0.7829
21	F	A	0.0000
22	D	A	-0.9098
23	V	A	0.1606
24	T	A	-0.5780
25	E	A	-2.0041
26	G	A	-1.3393
27	K	A	-1.8047
28	C	A	0.0000
29	A	A	-0.6899
30	P	A	-0.3278
31	F	A	0.8090
32	F	A	1.6035
33	Y	A	0.7079
34	G	A	0.0000
35	G	A	-0.2939
36	G	A	-1.1338
37	G	A	-1.5186
38	N	A	-2.0402
39	R	A	-2.6885
40	N	A	0.0000
41	N	A	-1.4231
42	F	A	0.0000
43	D	A	-2.1899
44	T	A	-1.8363
45	E	A	-2.1981
46	E	A	-1.9019
47	Y	A	-0.2749
48	C	A	0.0000
49	M	A	-0.1633
50	A	A	0.3186
51	V	A	0.9678
52	C	A	0.0000
53	G	A	-0.0710
54	S	A	-0.0018
55	A	A	0.0372