Project name: query_structure

Chain sequence(s)	A: EAMHSFCAFKAETGPCRARFDRWFFNIFTRQCEEFIYGGCEGNQNRFESLEECKKNCTRD
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                                          (00:00:48)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:48)

• Minimal score value: -3.7219
• Maximal score value: 1.56
• Average score: -1.3753
• Total score value: -82.5152

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	-2.0495
2	A	A	-1.0612
3	M	A	-0.8705
4	H	A	-0.6894
5	S	A	0.1350
6	F	A	0.3357
7	C	A	0.0000
8	A	A	0.5072
9	F	A	0.1119
10	K	A	-1.4977
11	A	A	-1.6692
12	E	A	-2.0891
13	T	A	-1.4379
14	G	A	-1.4448
15	P	A	-1.1228
16	C	A	-1.2468
17	R	A	-1.9980
18	A	A	-1.5775
19	R	A	-2.0339
20	F	A	-1.0885
21	D	A	-2.3634
22	R	A	-2.0036
23	W	A	-1.9873
24	F	A	-1.3404
25	F	A	0.0000
26	N	A	-0.4967
27	I	A	0.7258
28	F	A	1.5600
29	T	A	-0.2123
30	R	A	-1.5464
31	Q	A	-2.0457
32	C	A	-1.9672
33	E	A	-1.6955
34	E	A	-2.4816
35	F	A	-1.1991
36	I	A	-0.8007
37	Y	A	0.0000
38	G	A	0.0000
39	G	A	-1.0322
40	C	A	-0.9780
41	E	A	-2.2183
42	G	A	-2.2143
43	N	A	-1.5895
44	Q	A	-1.6559
45	N	A	0.0000
46	R	A	-1.9050
47	F	A	0.0000
48	E	A	-2.7310
49	S	A	-2.4537
50	L	A	-2.1414
51	E	A	-3.2208
52	E	A	-3.1216
53	C	A	0.0000
54	K	A	-3.6299
55	K	A	-3.7219
56	N	A	-2.3243
57	C	A	0.0000
58	T	A	-3.0028
59	R	A	-3.1625
60	D	A	-2.7710