Project name: 53914d77dfa474e

Chain sequence(s)	B: ELRALKDEMIKGLKEQQKISEKLAEANGNEELKKKAKEFHKKLIDKVKKY
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                                          (00:02:53)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:53)

• Minimal score value: -4.5209
• Maximal score value: 0.0
• Average score: -2.3022
• Total score value: -115.1078

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	-1.5364
2	L	B	-0.2323
3	R	B	-2.1424
4	A	B	-1.5362
5	L	B	-0.7922
6	K	B	-2.0589
7	D	B	-3.3903
8	E	B	-2.9749
9	M	B	-1.9399
10	I	B	-2.8539
11	K	B	-3.6355
12	G	B	-2.9082
13	L	B	-2.4321
14	K	B	-3.5731
15	E	B	-3.5036
16	Q	B	-2.7757
17	Q	B	0.0000
18	K	B	-2.4836
19	I	B	-0.8785
20	S	B	-1.3617
21	E	B	0.0000
22	K	B	-2.0314
23	L	B	-0.2876
24	A	B	0.0000
25	E	B	-3.2863
26	A	B	-1.8962
27	N	B	-2.4530
28	G	B	-2.7670
29	N	B	-3.5170
30	E	B	-4.5209
31	E	B	-4.2805
32	L	B	-3.2640
33	K	B	-4.2346
34	K	B	-4.3034
35	K	B	-3.8299
36	A	B	0.0000
37	K	B	-3.4966
38	E	B	-2.9837
39	F	B	-1.2556
40	H	B	0.0000
41	K	B	-3.0648
42	K	B	-3.1226
43	L	B	-1.9687
44	I	B	0.0000
45	D	B	-3.5765
46	K	B	-3.0713
47	V	B	-2.1872
48	K	B	-3.5173
49	K	B	-2.6099
50	Y	B	-0.5724