Project name: b721639225f72c1

Chain sequence(s)	A: SQPQQPISQQQQQQQQQQQQQQQQI
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                                          (00:00:24)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:24)

• Minimal score value: -5.1211
• Maximal score value: -0.5298
• Average score: -3.3466
• Total score value: -80.3182

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	-1.2383
2	Q	A	-1.8611
3	P	A	-1.6544
4	Q	A	-2.0290
5	Q	A	-2.0462
6	P	A	-1.2814
7	I	A	-0.5298
8	S	A	-1.8226
9	Q	A	-2.7465
10	Q	A	-3.0656
11	Q	A	-3.3219
12	Q	A	-3.8630
13	Q	A	-4.3644
14	Q	A	-4.6970
15	Q	A	-4.9130
16	Q	A	-5.0380
17	Q	A	-5.1175
18	Q	A	-5.1211
19	Q	A	-5.0305
20	Q	A	-4.8741
21	Q	A	-4.5855
22	Q	A	-4.1463
23	Q	A	-3.7858
24	Q	A	-3.1852