Project name: 64a67df587a73ce

Chain sequence(s)	B: SAELKEMMERMERAIELAKRWAEEYPELAEHLEKLAEFYAAKKAELEAAA
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                                          (00:01:29)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:29)

• Minimal score value: -3.9375
• Maximal score value: 0.428
• Average score: -2.1024
• Total score value: -105.1217

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	S	B	-1.2835
2	A	B	-1.7255
3	E	B	-2.7283
4	L	B	-2.3525
5	K	B	-3.4120
6	E	B	-3.4728
7	M	B	-2.5018
8	M	B	-2.9456
9	E	B	-3.6613
10	R	B	-3.8084
11	M	B	-2.4736
12	E	B	-3.2738
13	R	B	-3.4761
14	A	B	-2.0386
15	I	B	-2.2069
16	E	B	-2.5783
17	L	B	-1.3105
18	A	B	0.0000
19	K	B	-3.4221
20	R	B	-3.1608
21	W	B	-1.8991
22	A	B	0.0000
23	E	B	-3.4837
24	E	B	-2.9799
25	Y	B	-1.7270
26	P	B	-1.9183
27	E	B	-2.2981
28	L	B	-1.9036
29	A	B	-3.0186
30	E	B	-3.4582
31	H	B	-3.0126
32	L	B	0.0000
33	E	B	-3.9375
34	K	B	-3.1562
35	L	B	-1.2528
36	A	B	0.0000
37	E	B	-1.9815
38	F	B	0.4280
39	Y	B	-0.6546
40	A	B	-0.7163
41	A	B	-0.7961
42	K	B	-1.5096
43	K	B	-2.0924
44	A	B	-1.5470
45	E	B	-2.6127
46	L	B	-1.8785
47	E	B	-2.5874
48	A	B	-1.4701
49	A	B	-0.8910
50	A	B	-0.9345