Project name: 85e3e91dd945b6b

Chain sequence(s)	B: AMAEKMAAMERGKEVLVEMAKLIGNEEKAKEAEKMMEEAKKVVLAAMKAE
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                                          (00:02:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:05)

• Minimal score value: -4.9003
• Maximal score value: 1.3414
• Average score: -1.8089
• Total score value: -90.4451

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	A	B	-0.6201
2	M	B	-0.5284
3	A	B	-0.8805
4	E	B	-2.2475
5	K	B	-2.0794
6	M	B	-1.5413
7	A	B	-1.8874
8	A	B	-2.0860
9	M	B	-2.2709
10	E	B	-3.5229
11	R	B	-2.9305
12	G	B	-1.7109
13	K	B	-2.6379
14	E	B	-2.5074
15	V	B	-0.2448
16	L	B	-0.5876
17	V	B	-2.0289
18	E	B	-1.1495
19	M	B	0.5992
20	A	B	0.0000
21	K	B	-1.7272
22	L	B	1.1234
23	I	B	1.3414
24	G	B	-0.8105
25	N	B	-2.4628
26	E	B	-4.2321
27	E	B	-4.7856
28	K	B	-4.2266
29	A	B	0.0000
30	K	B	-4.9003
31	E	B	-4.6731
32	A	B	0.0000
33	E	B	-4.3973
34	K	B	-4.2781
35	M	B	-2.6287
36	M	B	-3.0640
37	E	B	-4.0811
38	E	B	-3.1072
39	A	B	-1.6292
40	K	B	-2.2548
41	K	B	-1.8036
42	V	B	0.2530
43	V	B	-0.0434
44	L	B	-0.2727
45	A	B	-0.3172
46	A	B	-0.3652
47	M	B	-0.7954
48	K	B	-1.7593
49	A	B	-1.4375
50	E	B	-2.2473