Project name: query_structure

Chain sequence(s)	A: EAMHSFCAFKADDGPCRAAHPRWFFNIFTRQCEEFIYGGCEGNQNRFESLEECKKMCTRD
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                                          (00:00:38)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:39)

• Minimal score value: -3.3994
• Maximal score value: 1.6285
• Average score: -1.2078
• Total score value: -72.4667

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	-2.2009
2	A	A	-1.0070
3	M	A	-0.6186
4	H	A	-0.3571
5	S	A	0.2311
6	F	A	0.4785
7	C	A	0.0000
8	A	A	0.6185
9	F	A	0.2980
10	K	A	-1.4763
11	A	A	-1.6260
12	D	A	-2.1536
13	D	A	-2.3089
14	G	A	-1.8113
15	P	A	-1.3436
16	C	A	-1.2240
17	R	A	-1.7770
18	A	A	-0.8511
19	A	A	-0.3262
20	H	A	-0.6308
21	P	A	-0.6575
22	R	A	-1.3109
23	W	A	-1.6644
24	F	A	-1.1612
25	F	A	0.0000
26	N	A	-0.4093
27	I	A	0.9293
28	F	A	1.6285
29	T	A	-0.1671
30	R	A	-1.4973
31	Q	A	-2.0122
32	C	A	-1.9380
33	E	A	-1.7321
34	E	A	-1.9206
35	F	A	-0.5105
36	I	A	0.4207
37	Y	A	0.0000
38	G	A	0.0000
39	G	A	-0.9393
40	C	A	-1.2558
41	E	A	-2.3511
42	G	A	-2.3999
43	N	A	-1.7121
44	Q	A	-1.6099
45	N	A	0.0000
46	R	A	-1.7350
47	F	A	0.0000
48	E	A	-2.6401
49	S	A	-2.3101
50	L	A	-2.1575
51	E	A	-3.1736
52	E	A	-2.9853
53	C	A	0.0000
54	K	A	-3.3994
55	K	A	-3.3789
56	M	A	-1.6210
57	C	A	0.0000
58	T	A	-2.7557
59	R	A	-3.0103
60	D	A	-2.9428