Project name: 9c36e30dc46c086

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                                          (00:00:27)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:27)

• Minimal score value: -4.6379
• Maximal score value: 0.0247
• Average score: -3.1371
• Total score value: -75.29

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	-1.1538
2	Q	A	-1.9336
3	P	A	-1.8816
4	Q	A	-2.3233
5	Q	A	-2.0680
6	P	A	-1.1090
7	I	A	0.0247
8	S	A	-1.8275
9	Q	A	-3.2324
10	Q	A	-3.1547
11	Q	A	-3.3075
12	Q	A	-3.5457
13	Q	A	-4.0996
14	Q	A	-4.5676
15	Q	A	-4.4575
16	Q	A	-4.2458
17	Q	A	-4.4912
18	Q	A	-4.6379
19	Q	A	-4.4541
20	Q	A	-4.1867
21	Q	A	-4.1842
22	Q	A	-3.8696
23	Q	A	-3.5625
24	Q	A	-3.0209