Project name: 61380c146984201

Chain sequence(s)	B: LAALRAKMDGMMKALKLMEEMAKQAGVEETPELRKTRDRAKATIAKLRAA
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                                          (00:01:55)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:55)

• Minimal score value: -4.2631
• Maximal score value: 1.159
• Average score: -1.9304
• Total score value: -96.522

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	L	B	1.1590
2	A	B	0.1899
3	A	B	-0.2645
4	L	B	-0.5401
5	R	B	-2.2258
6	A	B	-1.7447
7	K	B	-2.4612
8	M	B	-2.3904
9	D	B	-3.2391
10	G	B	-2.2447
11	M	B	-1.5185
12	M	B	-1.6086
13	K	B	-2.4315
14	A	B	-1.1926
15	L	B	0.0000
16	K	B	-2.0009
17	L	B	-0.8010
18	M	B	-0.5787
19	E	B	-2.0079
20	E	B	-2.5682
21	M	B	-0.7442
22	A	B	-1.4420
23	K	B	-2.8223
24	Q	B	-2.0590
25	A	B	-1.1972
26	G	B	-1.4189
27	V	B	-0.6084
28	E	B	-2.0160
29	E	B	-2.2593
30	T	B	-1.7546
31	P	B	-2.2168
32	E	B	-3.0234
33	L	B	-2.5820
34	R	B	-3.7428
35	K	B	-4.1046
36	T	B	-3.1015
37	R	B	-3.4001
38	D	B	-4.2631
39	R	B	-3.7525
40	A	B	-2.5568
41	K	B	-2.8947
42	A	B	-2.3496
43	T	B	-1.9202
44	I	B	-1.6609
45	A	B	-1.7564
46	K	B	-2.2116
47	L	B	-1.5020
48	R	B	-2.5521
49	A	B	-1.3135
50	A	B	-0.8260