Project name: dcbff5f2621bf21

Chain sequence(s)	B: ELRALMDEAMKAIKVLEEIAKLVEEQNPDEELKKRLQKKLKELKEKVKKL
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                                          (00:02:48)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:49)

• Minimal score value: -4.8454
• Maximal score value: 0.1476
• Average score: -2.3841
• Total score value: -119.2031

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	-1.3528
2	L	B	0.1476
3	R	B	-1.6475
4	A	B	-1.2682
5	L	B	-0.1147
6	M	B	-1.3789
7	D	B	-2.9662
8	E	B	-2.8874
9	A	B	-1.9729
10	M	B	-2.1822
11	K	B	-2.9291
12	A	B	-1.9296
13	I	B	0.0000
14	K	B	-2.5055
15	V	B	-0.8660
16	L	B	-0.6183
17	E	B	-2.3110
18	E	B	-1.9130
19	I	B	-0.0526
20	A	B	0.0000
21	K	B	-2.1782
22	L	B	-0.8978
23	V	B	-1.0935
24	E	B	-2.6686
25	E	B	-2.7080
26	Q	B	-2.4228
27	N	B	-2.3680
28	P	B	-2.3852
29	D	B	-3.4290
30	E	B	-4.0788
31	E	B	-4.0532
32	L	B	-3.0757
33	K	B	-4.1349
34	K	B	-4.6535
35	R	B	-4.6150
36	L	B	-3.6677
37	Q	B	-4.4783
38	K	B	-4.8454
39	K	B	-4.2952
40	L	B	0.0000
41	K	B	-4.5291
42	E	B	-4.2207
43	L	B	-3.0021
44	K	B	-3.5956
45	E	B	-3.7402
46	K	B	-3.4193
47	V	B	0.0000
48	K	B	-3.0947
49	K	B	-2.6189
50	L	B	-0.1854