Project name: b08b3f316749d00

Chain sequence(s)	B: ALAEIKAFKEGVKKAKEIALRLAEEAGLDLEKVKKKLEEIEKIVKKLEAA
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                                          (00:02:28)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:29)

• Minimal score value: -5.2392
• Maximal score value: 0.7651
• Average score: -2.0457
• Total score value: -102.2844

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	A	B	0.1217
2	L	B	0.7651
3	A	B	-0.1807
4	E	B	-1.2986
5	I	B	-0.8214
6	K	B	-1.5367
7	A	B	-1.1125
8	F	B	-0.3275
9	K	B	-2.4551
10	E	B	-3.1520
11	G	B	-2.1862
12	V	B	-1.9741
13	K	B	-3.4095
14	K	B	-3.3080
15	A	B	-2.0844
16	K	B	-2.7128
17	E	B	-2.5451
18	I	B	-0.8143
19	A	B	-1.0332
20	L	B	-1.8110
21	R	B	-2.0528
22	L	B	-0.3526
23	A	B	0.0000
24	E	B	-2.6456
25	E	B	-2.4266
26	A	B	-1.2157
27	G	B	-1.3460
28	L	B	-0.9712
29	D	B	-2.8199
30	L	B	-3.0562
31	E	B	-4.1675
32	K	B	-4.5258
33	V	B	0.0000
34	K	B	-4.9251
35	K	B	-5.2392
36	K	B	-4.6497
37	L	B	0.0000
38	E	B	-4.4385
39	E	B	-3.9373
40	I	B	-2.1394
41	E	B	-3.1454
42	K	B	-2.7872
43	I	B	-1.1044
44	V	B	0.0000
45	K	B	-3.2628
46	K	B	-2.7751
47	L	B	-1.4122
48	E	B	-2.4245
49	A	B	-1.5775
50	A	B	-1.0099