Project name: 1669118a235085

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                                          (00:00:17)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:18)

• Minimal score value: -4.5991
• Maximal score value: 0.1898
• Average score: -3.0842
• Total score value: -74.0204

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	-1.8492
2	Q	A	-2.0397
3	P	A	-1.7396
4	Q	A	-2.2999
5	Q	A	-2.0030
6	P	A	-0.9445
7	I	A	0.1898
8	S	A	-1.6917
9	Q	A	-2.8108
10	Q	A	-2.7344
11	Q	A	-3.1976
12	Q	A	-3.6600
13	Q	A	-3.8826
14	Q	A	-4.4040
15	Q	A	-4.5594
16	Q	A	-4.5693
17	Q	A	-4.5910
18	Q	A	-4.5991
19	Q	A	-4.2616
20	Q	A	-4.0761
21	Q	A	-4.1316
22	Q	A	-3.7823
23	Q	A	-3.4275
24	Q	A	-2.9553