Project name: query_structure

Chain sequence(s)	A: NFAAVNFAAVNFAAVNFAAVNFAAVHAVNFAAVHAVNFAAVNFAAVHAVHAV
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                                          (00:00:13)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:13)

• Minimal score value: -0.0431
• Maximal score value: 3.0541
• Average score: 1.9881
• Total score value: 103.3792

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	N	A	-0.0431
2	F	A	1.9266
3	A	A	1.2614
4	A	A	1.6102
5	V	A	2.3978
6	N	A	1.5106
7	F	A	2.9294
8	A	A	2.3064
9	A	A	2.2579
10	V	A	2.8510
11	N	A	2.1867
12	F	A	3.0252
13	A	A	2.4074
14	A	A	2.3830
15	V	A	2.9451
16	N	A	2.1884
17	F	A	3.0541
18	A	A	2.4270
19	A	A	2.2016
20	V	A	2.9605
21	N	A	2.0739
22	F	A	2.9555
23	A	A	2.0249
24	A	A	2.0128
25	V	A	2.6917
26	H	A	1.3256
27	A	A	1.5961
28	V	A	2.5801
29	N	A	1.2165
30	F	A	2.5244
31	A	A	1.6987
32	A	A	1.7467
33	V	A	2.5327
34	H	A	1.1887
35	A	A	1.6925
36	V	A	2.5269
37	N	A	1.3316
38	F	A	2.5288
39	A	A	1.9545
40	A	A	1.9489
41	V	A	2.5496
42	N	A	1.3419
43	F	A	2.3315
44	A	A	1.8289
45	A	A	1.4031
46	V	A	1.8951
47	H	A	0.7427
48	A	A	1.0867
49	V	A	2.0015
50	H	A	0.4858
51	A	A	0.8730
52	V	A	1.9007