Project name: f7d79a81fdfc92b

Chain sequence(s)	B: GELRAAMDEYKKRVKTMVELYGELVSEETRKKIEEKAKKMIAEMEARFKA
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                                          (00:02:49)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:50)

• Minimal score value: -4.9036
• Maximal score value: 0.9304
• Average score: -2.3488
• Total score value: -117.4395

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	G	B	-1.3803
2	E	B	-2.0169
3	L	B	-0.8865
4	R	B	-2.6539
5	A	B	-2.1891
6	A	B	-1.8080
7	M	B	0.0000
8	D	B	-3.9893
9	E	B	-3.8382
10	Y	B	-2.9465
11	K	B	-3.7223
12	K	B	-4.3025
13	R	B	-3.9725
14	V	B	0.0000
15	K	B	-3.1496
16	T	B	-1.7243
17	M	B	-0.8416
18	V	B	0.0000
19	E	B	-1.6532
20	L	B	0.8708
21	Y	B	0.9304
22	G	B	0.0000
23	E	B	-1.0263
24	L	B	0.8628
25	V	B	-0.2174
26	S	B	-1.9866
27	E	B	-3.7271
28	E	B	-3.9890
29	T	B	-3.0479
30	R	B	-4.0071
31	K	B	-4.8813
32	K	B	-4.8176
33	I	B	-3.6910
34	E	B	-4.5897
35	E	B	-4.9036
36	K	B	-4.4894
37	A	B	0.0000
38	K	B	-4.3158
39	K	B	-3.9778
40	M	B	-2.5297
41	I	B	-2.5533
42	A	B	-2.3997
43	E	B	-3.0881
44	M	B	-2.1574
45	E	B	-2.7146
46	A	B	-2.1396
47	R	B	-2.6755
48	F	B	-1.5094
49	K	B	-2.3335
50	A	B	-1.2604