Project name: query_structure

Chain sequence(s)	A: NAINAINAINAINAINAINAINAI
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                                          (00:00:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:05)

• Minimal score value: -0.8438
• Maximal score value: 2.2975
• Average score: 0.769
• Total score value: 18.457

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	-0.8438
2	A	A	0.2559
3	I	A	1.4336
4	N	A	-0.3945
5	A	A	0.3976
6	I	A	1.5399
7	N	A	-0.0385
8	A	A	0.6097
9	I	A	1.7715
10	N	A	-0.0741
11	A	A	0.5902
12	I	A	1.8029
13	N	A	-0.0150
14	A	A	0.6059
15	I	A	1.8457
16	N	A	-0.1054
17	A	A	0.6623
18	I	A	1.7382
19	N	A	0.0954
20	A	A	0.9375
21	I	A	2.2975
22	N	A	0.2660
23	A	A	0.9459
24	I	A	2.1326