Project name: query_structure

Chain sequence(s)	A: IYWIADQFGIHLATGTARKLLDAVASGASLGTAFAAILGVTLPAWALAAAGALGATAA
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                                          (00:00:30)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:31)

• Minimal score value: -3.0018
• Maximal score value: 2.5658
• Average score: 0.4061
• Total score value: 23.5526

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	I	A	1.7490
2	Y	A	1.9008
3	W	A	1.7790
4	I	A	1.6796
5	A	A	1.2789
6	D	A	-0.4437
7	Q	A	-0.3041
8	F	A	1.8356
9	G	A	1.7847
10	I	A	2.5658
11	H	A	2.0733
12	L	A	1.7157
13	A	A	0.6688
14	T	A	-0.5847
15	G	A	-1.0624
16	T	A	-1.2740
17	A	A	0.0000
18	R	A	-2.7791
19	K	A	-3.0018
20	L	A	0.0000
21	L	A	-1.1416
22	D	A	-2.4090
23	A	A	-1.2372
24	V	A	0.0000
25	A	A	-0.3879
26	S	A	-0.6025
27	G	A	-0.5578
28	A	A	-0.2178
29	S	A	-0.1425
30	L	A	0.4405
31	G	A	-0.0277
32	T	A	0.0626
33	A	A	0.2682
34	F	A	0.5520
35	A	A	0.6489
36	A	A	0.4927
37	I	A	0.8287
38	L	A	0.9713
39	G	A	0.8598
40	V	A	1.6933
41	T	A	1.0378
42	L	A	0.8467
43	P	A	0.6327
44	A	A	0.8589
45	W	A	1.3330
46	A	A	0.7357
47	L	A	0.7161
48	A	A	0.5868
49	A	A	0.6118
50	A	A	0.3503
51	G	A	-0.0982
52	A	A	0.5307
53	L	A	1.3754
54	G	A	0.5111
55	A	A	0.5580
56	T	A	0.6688
57	A	A	1.1813
58	A	A	1.4403