Project name: 28c383e7599c540

Chain sequence(s)	B: MENLMEAKKLLKEMKSELEAAKTPEEVLELYKKLVEVAKKIKELIEKALK
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                                          (00:02:18)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:18)

• Minimal score value: -3.8871
• Maximal score value: 0.4692
• Average score: -1.6878
• Total score value: -84.39

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	0.4515
2	E	B	-1.1592
3	N	B	-1.3736
4	L	B	-0.0407
5	M	B	-0.4802
6	E	B	-1.7721
7	A	B	0.0000
8	K	B	-2.3760
9	K	B	-3.2580
10	L	B	-2.0522
11	L	B	-1.8910
12	K	B	-3.8142
13	E	B	-3.7939
14	M	B	0.0000
15	K	B	-3.2508
16	S	B	-2.6043
17	E	B	-2.3835
18	L	B	-1.9482
19	E	B	-2.6400
20	A	B	-1.6694
21	A	B	-2.0502
22	K	B	-2.4418
23	T	B	-1.7512
24	P	B	-1.5023
25	E	B	-2.2949
26	E	B	-2.1905
27	V	B	-1.0399
28	L	B	-0.1649
29	E	B	-2.0414
30	L	B	0.0000
31	Y	B	0.4692
32	K	B	-1.3833
33	K	B	-1.4643
34	L	B	0.1164
35	V	B	0.1916
36	E	B	-2.2135
37	V	B	0.0000
38	A	B	-1.6188
39	K	B	-3.2006
40	K	B	-3.0797
41	I	B	-2.4357
42	K	B	-3.8871
43	E	B	-3.8767
44	L	B	0.0000
45	I	B	-1.5584
46	E	B	-2.9942
47	K	B	-2.7335
48	A	B	-1.1507
49	L	B	-0.2735
50	K	B	-1.7643