Project name: bf8d87b6da7d571

Chain sequence(s)	B: MANLMEAKKLLKENKSKLKAAKTPEEVLELWKEAVKTAKRIGELIAAALA
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                                          (00:02:13)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:13)

• Minimal score value: -3.5207
• Maximal score value: 1.6806
• Average score: -1.2565
• Total score value: -62.8241

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	1.2877
2	A	B	0.3339
3	N	B	-0.3543
4	L	B	0.1535
5	M	B	-0.0661
6	E	B	-1.5989
7	A	B	0.0000
8	K	B	-2.5268
9	K	B	-2.8671
10	L	B	-2.0539
11	L	B	-1.6765
12	K	B	-3.4381
13	E	B	-3.2014
14	N	B	0.0000
15	K	B	-2.7574
16	S	B	-2.4895
17	K	B	-2.5329
18	L	B	-1.8845
19	K	B	-2.3190
20	A	B	-1.6712
21	A	B	-1.9906
22	K	B	-2.3794
23	T	B	-1.7173
24	P	B	-1.4515
25	E	B	-2.3430
26	E	B	-2.0537
27	V	B	-0.7192
28	L	B	-0.3538
29	E	B	-1.8998
30	L	B	-0.9240
31	W	B	0.2212
32	K	B	-1.0051
33	E	B	-1.5001
34	A	B	-0.9379
35	V	B	-0.7526
36	K	B	-2.5277
37	T	B	0.0000
38	A	B	-1.8077
39	K	B	-3.3597
40	R	B	-3.5207
41	I	B	-2.0039
42	G	B	-2.0246
43	E	B	-2.3875
44	L	B	-0.6716
45	I	B	0.4621
46	A	B	0.2458
47	A	B	0.4411
48	A	B	1.1340
49	L	B	1.6806
50	A	B	0.9850