Project name: bb351cc4da7332

Chain sequence(s)	B: EAAREAKRAELEAFFDKIIALYEALGNEEAKERALKRKELLLEMLELATP
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                                          (00:01:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:08)

• Minimal score value: -4.9525
• Maximal score value: 0.5715
• Average score: -1.9458
• Total score value: -97.2888

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	E	B	-2.8108
2	A	B	-1.8492
3	A	B	-1.7507
4	R	B	-3.1828
5	E	B	-3.6717
6	A	B	-2.6227
7	K	B	-3.1714
8	R	B	-3.1869
9	A	B	-2.1834
10	E	B	-2.7395
11	L	B	0.0000
12	E	B	-2.1852
13	A	B	-1.3492
14	F	B	-0.0025
15	F	B	0.0000
16	D	B	-2.1491
17	K	B	-1.7346
18	I	B	-0.4902
19	I	B	-1.3654
20	A	B	-0.8117
21	L	B	0.2626
22	Y	B	-1.4451
23	E	B	-2.1818
24	A	B	-0.0732
25	L	B	0.5715
26	G	B	-1.3765
27	N	B	-2.7494
28	E	B	-4.3183
29	E	B	-4.4682
30	A	B	-3.2545
31	K	B	-4.0131
32	E	B	-4.9525
33	R	B	-4.8600
34	A	B	0.0000
35	L	B	-3.2937
36	K	B	-4.0305
37	R	B	-3.8552
38	K	B	-2.9747
39	E	B	-3.1554
40	L	B	-1.5880
41	L	B	-1.2319
42	L	B	-1.8282
43	E	B	-2.0600
44	M	B	-0.1265
45	L	B	0.0000
46	E	B	-1.9492
47	L	B	0.4535
48	A	B	-0.0225
49	T	B	-0.3285
50	P	B	-1.1825