Project name: query_structure

Chain sequence(s)	A: VKVCDICGDAGREDLLAICSGCSDGAEHTYCMREMLDEVPEGDWLCEECAEE
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                                          (00:00:25)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:26)

• Minimal score value: -3.7843
• Maximal score value: 1.621
• Average score: -1.1564
• Total score value: -60.1347

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	V	A	1.6210
2	K	A	-0.4841
3	V	A	-0.3857
4	C	A	0.0000
5	D	A	-1.1127
6	I	A	1.1917
7	C	A	0.5531
8	G	A	-0.8096
9	D	A	-2.1756
10	A	A	-1.8633
11	G	A	-2.5139
12	R	A	-3.5985
13	E	A	-3.7843
14	D	A	-3.5301
15	L	A	0.0000
16	L	A	0.0000
17	A	A	0.0000
18	I	A	0.1877
19	C	A	0.0000
20	S	A	-0.7822
21	G	A	-1.0849
22	C	A	-0.7531
23	S	A	-1.0980
24	D	A	-2.0496
25	G	A	0.0000
26	A	A	0.0000
27	E	A	0.0000
28	H	A	0.0000
29	T	A	0.0000
30	Y	A	0.6072
31	C	A	0.7439
32	M	A	-0.4882
33	R	A	-2.0596
34	E	A	-2.0337
35	M	A	-0.2728
36	L	A	-0.8738
37	D	A	-2.1303
38	E	A	-2.6003
39	V	A	-1.6242
40	P	A	-1.6974
41	E	A	-2.5787
42	G	A	-2.0860
43	D	A	-2.1145
44	W	A	-0.8047
45	L	A	-0.4938
46	C	A	0.0000
47	E	A	-2.8298
48	E	A	-3.2395
49	C	A	-2.1861
50	A	A	-2.1718
51	E	A	-3.4637
52	E	A	-3.2648