Project name: query_structure

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

• Minimal score value: -0.9837
• Maximal score value: 1.5034
• Average score: 0.2622
• Total score value: 12.5833

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	-0.6561
2	A	A	0.5295
3	I	A	1.5034
4	N	A	-0.2649
5	M	A	0.9479
6	V	A	1.0819
7	N	A	-0.3974
8	M	A	0.5765
9	A	A	0.3283
10	N	A	-0.9735
11	A	A	0.2466
12	L	A	0.7093
13	N	A	-0.7411
14	M	A	0.6895
15	I	A	0.8826
16	N	A	-0.6782
17	M	A	0.5579
18	A	A	0.2566
19	N	A	-0.9837
20	A	A	0.0925
21	L	A	0.5242
22	N	A	-0.9312
23	M	A	0.5046
24	A	A	0.0801
25	N	A	-0.7837
26	A	A	0.5530
27	I	A	1.0994
28	N	A	-0.4074
29	M	A	1.0364
30	V	A	1.4803
31	N	A	-0.3890
32	M	A	0.6706
33	A	A	0.4904
34	N	A	-0.7666
35	A	A	0.4154
36	L	A	0.8056
37	N	A	-0.6569
38	M	A	0.8841
39	I	A	1.3649
40	N	A	-0.4155
41	M	A	0.7727
42	A	A	0.5601
43	N	A	-0.5169
44	A	A	0.4979
45	L	A	1.1470
46	N	A	-0.4399
47	M	A	0.7565
48	A	A	0.5396