Project name: 22a

Chain sequence(s)	A: AAAKAALNAVLVGANA
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                                          (00:00:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:04)

• Minimal score value: -1.034
• Maximal score value: 3.0394
• Average score: 0.7813
• Total score value: 12.5014

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	-0.2558
2	A	A	-0.2530
3	A	A	-0.4043
4	K	A	-1.0340
5	A	A	-0.2335
6	A	A	0.7984
7	L	A	1.5638
8	N	A	1.0867
9	A	A	1.7712
10	V	A	2.9968
11	L	A	3.0394
12	V	A	2.6664
13	G	A	1.3283
14	A	A	0.7336
15	N	A	-0.7620
16	A	A	-0.5406