Project name: query_structure

Chain sequence(s)	A: NMAAVNMNAINFAAVNMNAIHAVNMNAI
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                                          (00:00:14)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:15)

• Minimal score value: -0.4546
• Maximal score value: 2.1513
• Average score: 0.8705
• Total score value: 24.3731

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	-0.4546
2	M	A	0.8636
3	A	A	0.4579
4	A	A	0.5730
5	V	A	1.5045
6	N	A	0.5915
7	M	A	1.3468
8	N	A	0.4253
9	A	A	1.1900
10	I	A	2.1513
11	N	A	0.8415
12	F	A	2.0669
13	A	A	1.3702
14	A	A	1.1697
15	V	A	1.6759
16	N	A	0.3278
17	M	A	0.7865
18	N	A	-0.1962
19	A	A	0.5260
20	I	A	1.1720
21	H	A	-0.1694
22	A	A	0.2501
23	V	A	1.5878
24	N	A	0.3951
25	M	A	1.0809
26	N	A	0.1559
27	A	A	0.7247
28	I	A	1.9584