Project name: 5132a75b249bc76

Chain sequence(s)	B: EAAVKALKEKAKELEKRAEEYAAKNPELAAVLKKYAAALKKAAEELEKAL
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                                          (00:02:22)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:22)

• Minimal score value: -4.772
• Maximal score value: 0.9684
• Average score: -2.1394
• Total score value: -106.9694

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	E	B	-2.2172
2	A	B	-1.5669
3	A	B	-1.2488
4	V	B	0.0000
5	K	B	-3.4267
6	A	B	-2.2024
7	L	B	-2.4712
8	K	B	-3.5243
9	E	B	-4.0348
10	K	B	-3.5710
11	A	B	0.0000
12	K	B	-4.3229
13	E	B	-4.0292
14	L	B	-3.2244
15	E	B	-3.9870
16	K	B	-4.7720
17	R	B	-4.2143
18	A	B	0.0000
19	E	B	-4.2953
20	E	B	-3.9970
21	Y	B	-2.8174
22	A	B	-2.5847
23	A	B	-1.7082
24	K	B	-2.5542
25	N	B	-2.1429
26	P	B	-1.6427
27	E	B	-1.5783
28	L	B	-0.9623
29	A	B	0.0000
30	A	B	-0.5056
31	V	B	0.9684
32	L	B	-0.5562
33	K	B	-1.8062
34	K	B	-0.8641
35	Y	B	0.3153
36	A	B	0.0000
37	A	B	-1.1624
38	A	B	-0.9123
39	L	B	-1.7886
40	K	B	-3.0175
41	K	B	-3.0923
42	A	B	-2.4897
43	A	B	0.0000
44	E	B	-4.3312
45	E	B	-3.8867
46	L	B	-2.4949
47	E	B	-3.8711
48	K	B	-2.9655
49	A	B	-1.1774
50	L	B	-0.2353