Project name: a47a46d5d6cc425

Chain sequence(s)	A: SIIGIIMGILGNIPQVIQIIMSIVKAFKGNK
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                                          (00:00:39)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:40)

• Minimal score value: -1.9286
• Maximal score value: 2.6647
• Average score: 0.6355
• Total score value: 19.0642

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	S	A	0.7858
2	I	A	1.4967
3	I	A	1.1513
4	G	A	1.3194
5	I	A	2.6647
6	I	A	2.3110
7	M	A	1.6514
8	G	A	1.3895
9	I	A	2.4938
10	L	A	1.5895
11	G	A	0.2435
12	N	A	-0.6718
13	I	A	0.2200
14	P	A	-0.5189
15	Q	A	-0.6756
16	V	A	0.8143
17	I	A	0.9551
18	Q	A	-0.0095
19	I	A	1.3424
20	I	A	1.5773
21	M	A	1.0549
22	S	A	0.7677
23	I	A	2.1361
24	V	A	0.0000
25	K	A	-0.9721
26	A	A	-0.0069
27	F	A	0.9345
28	K	A	-1.4263
29	G	A	-1.6250
30	N	A	-1.9286