Project name: 63ba667b3943efe

Chain sequence(s)	B: EELALLRAQLKGAAKALDLMLEVAKQLGLDVEKIEARTKEMKARIAEIIA
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                                          (00:01:23)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:24)

• Minimal score value: -3.9565
• Maximal score value: 0.8067
• Average score: -1.3814
• Total score value: -69.0723

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	-1.7277
2	E	B	-1.3303
3	L	B	0.5809
4	A	B	0.2444
5	L	B	0.6139
6	L	B	0.5023
7	R	B	-0.3373
8	A	B	-0.7507
9	Q	B	-1.3845
10	L	B	-1.3289
11	K	B	-2.5441
12	G	B	-2.1911
13	A	B	-1.5844
14	A	B	-2.0226
15	K	B	-2.2871
16	A	B	-0.9841
17	L	B	-1.1784
18	D	B	-1.4856
19	L	B	-0.1242
20	M	B	-0.1396
21	L	B	-1.7338
22	E	B	-1.7465
23	V	B	0.0879
24	A	B	0.0000
25	K	B	-2.3876
26	Q	B	-1.2527
27	L	B	0.3237
28	G	B	-0.6711
29	L	B	-0.6076
30	D	B	-2.5080
31	V	B	-2.7198
32	E	B	-3.6459
33	K	B	-3.6510
34	I	B	-3.0221
35	E	B	-3.9565
36	A	B	-2.9823
37	R	B	-2.9752
38	T	B	0.0000
39	K	B	-3.4514
40	E	B	-2.8414
41	M	B	-2.0535
42	K	B	-2.4723
43	A	B	-1.9579
44	R	B	-2.0882
45	I	B	0.0000
46	A	B	-1.0850
47	E	B	-1.2695
48	I	B	0.8067
49	I	B	0.3298
50	A	B	-0.0820