Project name: b8c2471d9fc906e

Chain sequence(s)	B: SEELKEAIERMKRAAEIAEAWAERYPELKELLEALRKHYEAKAKEWEEKM
Selected Chain(s)	B
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 B 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                                          (00:01:53)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:53)

• Minimal score value: -4.7464
• Maximal score value: 0.2441
• Average score: -2.4331
• Total score value: -121.6533

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	B	-1.9691
2	E	B	-3.6000
3	E	B	-3.7911
4	L	B	-3.0861
5	K	B	-4.0715
6	E	B	-4.4667
7	A	B	-3.5012
8	I	B	0.0000
9	E	B	-4.7464
10	R	B	-4.3687
11	M	B	-3.5747
12	K	B	-4.0618
13	R	B	-4.1474
14	A	B	-2.4998
15	A	B	0.0000
16	E	B	-3.0670
17	I	B	-1.2369
18	A	B	0.0000
19	E	B	-2.7116
20	A	B	-1.5392
21	W	B	-0.7756
22	A	B	0.0000
23	E	B	-2.8586
24	R	B	-2.4715
25	Y	B	-1.3608
26	P	B	-1.8477
27	E	B	-2.1589
28	L	B	-0.8846
29	K	B	-2.3304
30	E	B	-1.7391
31	L	B	0.2441
32	L	B	0.0000
33	E	B	-1.7198
34	A	B	-1.0759
35	L	B	-0.6503
36	R	B	-2.5378
37	K	B	-2.7269
38	H	B	-2.2990
39	Y	B	-2.7340
40	E	B	-3.1893
41	A	B	-2.8757
42	K	B	-3.4073
43	A	B	0.0000
44	K	B	-4.4597
45	E	B	-4.4526
46	W	B	-3.4498
47	E	B	-4.3236
48	E	B	-4.2336
49	K	B	-3.2678
50	M	B	-1.6279