Project name: 8eb6d4fa0f98069

Chain sequence(s)	B: MRALIDKAKSLLEAVKKLSEVEELITGDKEKLEEKRKKLKEKVEKIVKLG
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                                          (00:03:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:02)

• Minimal score value: -4.7828
• Maximal score value: 0.7162
• Average score: -2.2358
• Total score value: -111.7878

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	M	B	0.1244
2	R	B	-1.8231
3	A	B	-1.3911
4	L	B	-0.7181
5	I	B	-1.7014
6	D	B	-3.1149
7	K	B	-2.8699
8	A	B	0.0000
9	K	B	-2.8330
10	S	B	-2.3482
11	L	B	-1.9627
12	L	B	-2.6001
13	E	B	-2.9342
14	A	B	-1.7465
15	V	B	0.0000
16	K	B	-2.5860
17	K	B	-2.3339
18	L	B	-0.6246
19	S	B	-1.7601
20	E	B	-1.9340
21	V	B	0.1123
22	E	B	0.0000
23	E	B	-1.1957
24	L	B	0.7162
25	I	B	0.1099
26	T	B	-0.4498
27	G	B	-1.6201
28	D	B	-3.3901
29	K	B	-3.5689
30	E	B	-4.3130
31	K	B	-4.0902
32	L	B	-3.2404
33	E	B	-4.2742
34	E	B	-4.4780
35	K	B	-4.4728
36	R	B	-3.9459
37	K	B	-4.6688
38	K	B	-4.7828
39	L	B	-3.4727
40	K	B	-4.3518
41	E	B	-4.7709
42	K	B	-4.0139
43	V	B	0.0000
44	E	B	-3.6309
45	K	B	-3.1874
46	I	B	-1.5460
47	V	B	-2.0912
48	K	B	-1.8302
49	L	B	0.2761
50	G	B	-0.4592