Project name: c895b410381e621

Chain sequence(s)	B: MAALMEAKKKLKEMKSKLKAAKTAEEVKALYEELVEVAKEIKALIDAAKA
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                                          (00:02:45)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:45)

• Minimal score value: -4.2847
• Maximal score value: 1.2177
• Average score: -1.9135
• Total score value: -95.6766

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	1.2177
2	A	B	0.2400
3	A	B	-0.3594
4	L	B	-0.3797
5	M	B	-0.6317
6	E	B	-2.4481
7	A	B	0.0000
8	K	B	-2.8037
9	K	B	-3.8156
10	K	B	-3.6690
11	L	B	-3.0736
12	K	B	-4.2847
13	E	B	-4.1597
14	M	B	0.0000
15	K	B	-3.3687
16	S	B	-2.9862
17	K	B	-3.1149
18	L	B	-2.2967
19	K	B	-2.4977
20	A	B	-1.8848
21	A	B	-2.3515
22	K	B	-2.4572
23	T	B	-1.8772
24	A	B	-1.8721
25	E	B	-2.9066
26	E	B	-2.7630
27	V	B	-2.1514
28	K	B	-2.5956
29	A	B	-1.7879
30	L	B	0.0000
31	Y	B	-0.6159
32	E	B	-2.1330
33	E	B	-2.0909
34	L	B	-1.0719
35	V	B	-0.7133
36	E	B	-2.8901
37	V	B	0.0000
38	A	B	-2.1115
39	K	B	-3.2332
40	E	B	-3.1212
41	I	B	-2.1135
42	K	B	-2.9266
43	A	B	-2.1078
44	L	B	-1.0074
45	I	B	-1.0366
46	D	B	-2.3982
47	A	B	-1.1142
48	A	B	-0.9132
49	K	B	-1.9636
50	A	B	-1.0355