Project name: 2fbc81bb59feb04

Chain sequence(s)	B: MAFKDELMARLKALKAVLAKLEEQLSPEQAKKAKAAFEKIEAKVKELMAT
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                                          (00:01:53)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:54)

• Minimal score value: -3.8588
• Maximal score value: 1.0467
• Average score: -1.7104
• Total score value: -85.5218

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	0.8659
2	A	B	0.3770
3	F	B	1.0467
4	K	B	-0.7098
5	D	B	-1.8910
6	E	B	-1.9145
7	L	B	-1.3641
8	M	B	-1.6475
9	A	B	-2.0494
10	R	B	-2.8141
11	L	B	0.0000
12	K	B	-2.3749
13	A	B	-1.1085
14	L	B	-0.6338
15	K	B	-2.0143
16	A	B	-0.8799
17	V	B	0.1010
18	L	B	0.0000
19	A	B	-1.4792
20	K	B	-2.1543
21	L	B	-1.5886
22	E	B	-3.2673
23	E	B	-3.0828
24	Q	B	-2.5485
25	L	B	-1.9957
26	S	B	-2.0152
27	P	B	-2.6566
28	E	B	-3.4742
29	Q	B	-3.2210
30	A	B	0.0000
31	K	B	-3.8588
32	K	B	-3.8181
33	A	B	-2.4711
34	K	B	-3.0179
35	A	B	-2.3625
36	A	B	-1.7909
37	F	B	0.0000
38	E	B	-3.1544
39	K	B	-2.7837
40	I	B	-1.4938
41	E	B	-2.3283
42	A	B	-2.4014
43	K	B	-2.6073
44	V	B	-1.6726
45	K	B	-2.4660
46	E	B	-2.3682
47	L	B	-0.6418
48	M	B	-0.6787
49	A	B	-0.8322
50	T	B	-0.2795