Project name: d3b621c7bd063cf

Chain sequence(s)	B: MTAAELRALMDAFMEGVKKAMEILVEMVPEEHREEAKEKAKALKAKVEAK
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                                          (00:02:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:02)

• Minimal score value: -5.4116
• Maximal score value: 0.7102
• Average score: -1.9059
• Total score value: -95.2967

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	0.7038
2	T	B	-0.1024
3	A	B	-0.2848
4	A	B	-0.6488
5	E	B	-1.1669
6	L	B	-0.3446
7	R	B	-1.6085
8	A	B	-0.8953
9	L	B	0.2569
10	M	B	-0.4401
11	D	B	-1.8875
12	A	B	-0.4638
13	F	B	0.4111
14	M	B	-1.1285
15	E	B	-2.2470
16	G	B	-1.6250
17	V	B	-1.0823
18	K	B	-2.2959
19	K	B	-2.3914
20	A	B	-1.0967
21	M	B	0.0000
22	E	B	-2.1164
23	I	B	0.7102
24	L	B	0.5446
25	V	B	0.0000
26	E	B	-1.2963
27	M	B	0.4359
28	V	B	-1.3762
29	P	B	-2.2857
30	E	B	-3.8796
31	E	B	-3.9066
32	H	B	-3.8545
33	R	B	-4.6653
34	E	B	-5.2346
35	E	B	-5.4116
36	A	B	-4.6556
37	K	B	-5.3888
38	E	B	-5.2220
39	K	B	-4.3200
40	A	B	0.0000
41	K	B	-3.9924
42	A	B	-2.5319
43	L	B	-1.7350
44	K	B	-2.1990
45	A	B	-2.1887
46	K	B	-2.6918
47	V	B	-2.0507
48	E	B	-2.8758
49	A	B	-2.1570
50	K	B	-2.6142