Project name: A2D

Chain sequence(s)	A: ASNPYVEPRGSGGSGDAARNPVKY
Selected Chain(s)	A
Distance of aggregation	5 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                                          (00:00:10)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:10)

• Minimal score value: -2.0656
• Maximal score value: 1.6763
• Average score: -0.4801
• Total score value: -11.5222

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	A	A	0.0198
2	S	A	-0.4349
3	N	A	-1.3580
4	P	A	-0.2429
5	Y	A	1.5931
6	V	A	1.6763
7	E	A	-1.5374
8	P	A	-0.9189
9	R	A	-1.9760
10	G	A	-0.8439
11	S	A	-0.3813
12	G	A	-0.5906
13	G	A	-0.5911
14	S	A	-0.3484
15	G	A	-0.6389
16	D	A	-1.8290
17	A	A	-0.2547
18	A	A	-0.2599
19	R	A	-2.0656
20	N	A	-1.6547
21	P	A	-0.1699
22	V	A	1.4174
23	K	A	-1.1316
24	Y	A	0.9989