Project name: query_structure

Chain sequence(s)	A: ALRPLYIDFKRDLGWKWIHEPKGYNANFAGANDEGLEVSQDLEPLTILYYIGKTPKIEQLSNMIVKSK
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: -3.7402
• Maximal score value: 1.7031
• Average score: -1.0578
• Total score value: -71.9331

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	A	A	-0.2517
2	L	A	-0.3414
3	R	A	-1.4073
4	P	A	-0.5113
5	L	A	0.6870
6	Y	A	0.7982
7	I	A	-0.4151
8	D	A	0.0000
9	F	A	0.0000
10	K	A	-3.7024
11	R	A	-3.7402
12	D	A	-2.6350
13	L	A	-1.3249
14	G	A	-1.7887
15	W	A	-1.5918
16	K	A	-2.1912
17	W	A	-0.0216
18	I	A	0.0000
19	H	A	-1.7082
20	E	A	-1.9261
21	P	A	-1.8895
22	K	A	-3.0518
23	G	A	-1.6639
24	Y	A	-0.2888
25	N	A	-0.1525
26	A	A	0.0000
27	N	A	-0.1584
28	F	A	0.3541
29	A	A	-0.2593
30	G	A	-0.9466
31	A	A	-1.3121
32	N	A	-2.5880
33	D	A	-3.1963
34	E	A	-3.0650
35	G	A	-1.7951
36	L	A	-0.4609
37	E	A	-1.7414
38	V	A	-1.0843
39	S	A	-1.9443
40	Q	A	-2.5889
41	D	A	-3.0213
42	L	A	-1.9271
43	E	A	-1.8351
44	P	A	-1.4562
45	L	A	0.0000
46	T	A	-0.7423
47	I	A	0.0000
48	L	A	-0.3130
49	Y	A	0.3453
50	Y	A	1.4450
51	I	A	1.7031
52	G	A	-0.0545
53	K	A	-1.2651
54	T	A	-0.3500
55	P	A	0.1993
56	K	A	0.3517
57	I	A	0.7489
58	E	A	-0.9519
59	Q	A	-1.5965
60	L	A	-0.9836
61	S	A	-1.2847
62	N	A	-2.0316
63	M	A	-1.0554
64	I	A	-0.7884
65	V	A	-1.1931
66	K	A	-1.9830
67	S	A	-1.5428
68	K	A	-2.4461