Project name: query_structure

Chain sequence(s)	A: EAMHSFCAFKAADDGPCRAAHPRWFFNIFTRQCEEFIYGGCEGNQNRFESLEECKKMCTRD
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                                          (00:00:39)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:39)

• Minimal score value: -3.4034
• Maximal score value: 1.0973
• Average score: -1.1739
• Total score value: -71.6105

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	-1.9359
2	A	A	-0.8942
3	M	A	-0.4992
4	H	A	-0.2582
5	S	A	0.2180
6	F	A	0.4795
7	C	A	0.0000
8	A	A	0.4469
9	F	A	0.4735
10	K	A	-0.6107
11	A	A	-0.8451
12	A	A	-1.2105
13	D	A	-1.9276
14	D	A	-2.4160
15	G	A	-1.9347
16	P	A	-1.3897
17	C	A	-1.2316
18	R	A	-1.8079
19	A	A	-0.9082
20	A	A	-0.4040
21	H	A	-0.7467
22	P	A	-0.8590
23	R	A	-1.3977
24	W	A	-1.7911
25	F	A	0.0000
26	F	A	0.0000
27	N	A	-0.7067
28	I	A	0.2874
29	F	A	1.0973
30	T	A	-0.3393
31	R	A	-1.7234
32	Q	A	-2.1655
33	C	A	-2.1034
34	E	A	-1.8916
35	E	A	-2.0012
36	F	A	-0.6432
37	I	A	0.2615
38	Y	A	0.0000
39	G	A	0.0000
40	G	A	-1.0422
41	C	A	-1.3169
42	E	A	-2.3764
43	G	A	-2.1960
44	N	A	0.0000
45	Q	A	-1.3442
46	N	A	0.0000
47	R	A	-1.6228
48	F	A	0.0000
49	E	A	-2.6935
50	S	A	-2.3683
51	L	A	-2.2313
52	E	A	-3.2163
53	E	A	-3.1020
54	C	A	0.0000
55	K	A	-3.4034
56	K	A	-3.3789
57	M	A	-1.8104
58	C	A	0.0000
59	T	A	-2.6735
60	R	A	-2.7632
61	D	A	-2.6930