Project name: a6004a7751bb1d0

Chain sequence(s)	A: SIIGDIMGILGNIPQVIQIDMSIVKAFKGNK
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                                          (00:00:13)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:13)

• Minimal score value: -1.5597
• Maximal score value: 2.0356
• Average score: 0.5184
• Total score value: 15.5519

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	0.4055
2	I	A	1.6686
3	I	A	1.2335
4	G	A	0.1986
5	D	A	-0.4762
6	I	A	0.9311
7	M	A	0.4448
8	G	A	0.0641
9	I	A	1.4139
10	L	A	0.7661
11	G	A	-0.4569
12	N	A	-1.1226
13	I	A	0.3127
14	P	A	0.3677
15	Q	A	-0.0773
16	V	A	1.8903
17	I	A	2.0356
18	Q	A	0.8671
19	I	A	1.2831
20	D	A	0.1654
21	M	A	1.0096
22	S	A	0.0000
23	I	A	1.8205
24	V	A	1.5440
25	K	A	0.4279
26	A	A	1.0551
27	F	A	1.4741
28	K	A	-0.8815
29	G	A	-1.2532
30	N	A	-1.5597