Project name: query_structure

Chain sequence(s)	A: INMPNMVGNMLMMVINMPNMVGNMLMMV
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                                          (00:00:20)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:21)

• Minimal score value: -0.5917
• Maximal score value: 3.0232
• Average score: 1.3032
• Total score value: 36.4907

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	I	A	1.5029
2	N	A	0.0450
3	M	A	1.0245
4	P	A	0.2254
5	N	A	-0.5917
6	M	A	0.6775
7	V	A	0.8170
8	G	A	0.2155
9	N	A	0.1540
10	M	A	1.5106
11	L	A	2.1711
12	M	A	2.3217
13	M	A	2.4229
14	V	A	2.7684
15	I	A	2.7302
16	N	A	1.1473
17	M	A	1.3513
18	P	A	0.3520
19	N	A	-0.4974
20	M	A	0.6765
21	V	A	1.0185
22	G	A	0.5045
23	N	A	0.4862
24	M	A	2.0241
25	L	A	2.9577
26	M	A	2.7049
27	M	A	2.7469
28	V	A	3.0232