Project name: 64931d368244a99

Chain sequence(s)	A: MVKVKFKYKGEEKEVDTSKIKKVWRVGKMVSFTYDDNGKTGRGAVSEKDAPKELLDMLARAEREKK
Selected Chain(s)	A
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 A 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                                          (00:01:46)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:46)

• Minimal score value: -5.1011
• Maximal score value: 0.5717
• Average score: -2.0629
• Total score value: -136.1492

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	M	A	0.5717
2	V	A	-0.9242
3	K	A	-2.8248
4	V	A	0.0000
5	K	A	-4.0747
6	F	A	0.0000
7	K	A	-4.0058
8	Y	A	-2.8684
9	K	A	-2.9478
10	G	A	-2.9688
11	E	A	-3.9636
12	E	A	-4.5800
13	K	A	-4.1173
14	E	A	-4.0580
15	V	A	0.0000
16	D	A	-2.2955
17	T	A	-1.6481
18	S	A	-1.6250
19	K	A	-3.1038
20	I	A	0.0000
21	K	A	-3.1144
22	K	A	-2.6545
23	V	A	0.0000
24	W	A	-0.6582
25	R	A	-0.6771
26	V	A	0.5663
27	G	A	-0.6692
28	K	A	-1.8616
29	M	A	-0.7019
30	V	A	0.0000
31	S	A	0.0000
32	F	A	0.0000
33	T	A	0.0000
34	Y	A	0.0000
35	D	A	-3.6005
36	D	A	-2.8889
37	N	A	-2.7181
38	G	A	-2.3857
39	K	A	-2.9922
40	T	A	-2.3785
41	G	A	0.0000
42	R	A	-2.4870
43	G	A	0.0000
44	A	A	-0.8051
45	V	A	0.0000
46	S	A	-1.6896
47	E	A	-2.3271
48	K	A	-3.1261
49	D	A	-3.1474
50	A	A	-2.4663
51	P	A	-2.5324
52	K	A	-2.9894
53	E	A	-2.4472
54	L	A	0.0000
55	L	A	-2.0244
56	D	A	-3.0661
57	M	A	-2.5269
58	L	A	0.0000
59	A	A	-2.8530
60	R	A	-3.7479
61	A	A	-3.8664
62	E	A	-4.3392
63	R	A	-4.8770
64	E	A	-5.1011
65	K	A	-4.1731
66	K	A	-3.3879