Project name: query_structure

Chain sequence(s)	A: EAEAEFTDACVLPAVQGPCRGWEPRWAYSPLLQQCHPFVYGGCEGNGNNFHSRESCEDACPVVDHHHHHH
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                                          (00:00:50)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:52)

• Minimal score value: -2.9771
• Maximal score value: 2.1353
• Average score: -0.6661
• Total score value: -46.6296

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	-2.4459
2	A	A	-2.1055
3	E	A	-2.7209
4	A	A	-0.7870
5	E	A	-0.6151
6	F	A	1.4394
7	T	A	0.9666
8	D	A	0.0000
9	A	A	0.4737
10	C	A	0.0000
11	V	A	2.1353
12	L	A	0.6919
13	P	A	0.2140
14	A	A	0.0107
15	V	A	-0.5130
16	Q	A	-1.1130
17	G	A	-1.3555
18	P	A	-1.1539
19	C	A	-1.1786
20	R	A	-1.9285
21	G	A	-0.9412
22	W	A	0.2295
23	E	A	-0.5435
24	P	A	-0.2800
25	R	A	-0.5461
26	W	A	-0.5879
27	A	A	0.0000
28	Y	A	0.0000
29	S	A	0.0000
30	P	A	0.7968
31	L	A	1.8724
32	L	A	1.3693
33	Q	A	-0.4078
34	Q	A	-0.6372
35	C	A	0.0000
36	H	A	-0.4984
37	P	A	-0.2769
38	F	A	0.5189
39	V	A	1.0450
40	Y	A	-0.2347
41	G	A	0.0000
42	G	A	-1.1582
43	C	A	-1.3243
44	E	A	-2.2593
45	G	A	-1.9037
46	N	A	-1.9439
47	G	A	-1.0353
48	N	A	0.0000
49	N	A	-0.7620
50	F	A	-1.1723
51	H	A	-1.4379
52	S	A	-1.6074
53	R	A	-2.2068
54	E	A	-2.9771
55	S	A	-2.1736
56	C	A	0.0000
57	E	A	-2.3573
58	D	A	-2.1531
59	A	A	-1.1197
60	C	A	0.0000
61	P	A	-0.4466
62	V	A	1.0454
63	V	A	1.0021
64	D	A	-1.3192
65	H	A	0.0000
66	H	A	-2.6122
67	H	A	-1.8386
68	H	A	-1.9079
69	H	A	-2.1358
70	H	A	-1.7178