Project name: 841b5ebc68e5f91

Chain sequence(s)	B: ELRALMDEAMKALKKLEEIAKLVFEQNPSEELKKEIEKKLKELKKKIEKL
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                                          (00:02:45)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:46)

• Minimal score value: -5.4404
• Maximal score value: 0.0
• Average score: -2.7394
• Total score value: -136.9702

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	-1.5346
2	L	B	-0.1985
3	R	B	-1.7441
4	A	B	-1.3279
5	L	B	-0.2934
6	M	B	-1.3829
7	D	B	-2.5988
8	E	B	-2.7641
9	A	B	-2.1574
10	M	B	-2.3970
11	K	B	-3.4627
12	A	B	-2.6086
13	L	B	0.0000
14	K	B	-3.7067
15	K	B	-3.3167
16	L	B	-1.4373
17	E	B	-3.0149
18	E	B	-2.4761
19	I	B	-0.4650
20	A	B	-1.3319
21	K	B	-2.1921
22	L	B	-0.1461
23	V	B	-0.3309
24	F	B	-1.3588
25	E	B	-2.1320
26	Q	B	-2.1555
27	N	B	-2.3132
28	P	B	-2.1523
29	S	B	-2.6854
30	E	B	-3.7040
31	E	B	-3.9611
32	L	B	-3.0218
33	K	B	-4.2726
34	K	B	-5.1712
35	E	B	-5.0774
36	I	B	-4.0733
37	E	B	-5.4404
38	K	B	-5.3890
39	K	B	-4.8983
40	L	B	-4.1395
41	K	B	-4.9255
42	E	B	-4.5402
43	L	B	-3.3843
44	K	B	-4.1475
45	K	B	-4.5384
46	K	B	-3.6164
47	I	B	-2.5938
48	E	B	-3.3863
49	K	B	-2.7823
50	L	B	-0.2220