Project name: 7b7425c7c85b6b7

Chain sequence(s)	B: LAAMEEMMARMEKRAEIMLKMAELASPEVVEKAKKEIEKMRERFAEMVAA
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                                          (00:02:25)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:26)

• Minimal score value: -4.891
• Maximal score value: 1.0886
• Average score: -1.8826
• Total score value: -94.1295

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	L	B	1.0886
2	A	B	-0.0493
3	A	B	-0.2161
4	M	B	-0.2725
5	E	B	-1.8898
6	E	B	-2.2703
7	M	B	-1.3628
8	M	B	-1.8816
9	A	B	-2.5798
10	R	B	-3.6771
11	M	B	-2.9235
12	E	B	-3.5085
13	K	B	-3.7980
14	R	B	-3.4696
15	A	B	0.0000
16	E	B	-2.8391
17	I	B	-0.7108
18	M	B	-0.4232
19	L	B	-0.9516
20	K	B	-0.8471
21	M	B	0.8510
22	A	B	0.0000
23	E	B	-1.1732
24	L	B	0.8955
25	A	B	0.2420
26	S	B	-0.8223
27	P	B	-1.7631
28	E	B	-2.9275
29	V	B	-1.5732
30	V	B	-2.4858
31	E	B	-4.1959
32	K	B	-4.2379
33	A	B	0.0000
34	K	B	-4.3574
35	K	B	-4.6758
36	E	B	-4.7311
37	I	B	0.0000
38	E	B	-4.8910
39	K	B	-4.4458
40	M	B	-3.5020
41	R	B	-3.8878
42	E	B	-4.4474
43	R	B	-3.8532
44	F	B	0.0000
45	A	B	-1.9628
46	E	B	-2.5039
47	M	B	-0.7105
48	V	B	-0.0767
49	A	B	-0.2972
50	A	B	-0.0144