Project name: query_structure

Chain sequence(s)	A: AVNMNAINFDAAVNMNAIDNMN
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                                          (00:00:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:17)

• Minimal score value: -1.6778
• Maximal score value: 1.4821
• Average score: -0.0377
• Total score value: -0.8301

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	0.7486
2	V	A	1.4821
3	N	A	-0.3220
4	M	A	0.4732
5	N	A	-0.8234
6	A	A	-0.0978
7	I	A	0.3852
8	N	A	-0.5608
9	F	A	1.0914
10	D	A	-0.6186
11	A	A	-0.0918
12	A	A	0.7316
13	V	A	1.0418
14	N	A	-0.2663
15	M	A	0.5918
16	N	A	-0.8313
17	A	A	-0.0546
18	I	A	0.8402
19	D	A	-1.6006
20	N	A	-1.6778
21	M	A	-0.0297
22	N	A	-1.2413