Project name: b77240cf1918cb6

Chain sequence(s)	A: MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNV
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:02)

• Minimal score value: -3.7116
• Maximal score value: 2.3374
• Average score: -0.9169
• Total score value: -60.5135

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	1.2097
2	D	A	0.0886
3	V	A	1.8559
4	F	A	2.3313
5	M	A	1.2459
6	K	A	-0.8464
7	G	A	-0.4223
8	L	A	-0.0797
9	S	A	-1.3853
10	K	A	-2.6258
11	A	A	-1.6261
12	K	A	-2.4253
13	E	A	-2.5359
14	G	A	-1.2948
15	V	A	0.0666
16	V	A	-0.5865
17	A	A	-1.1971
18	A	A	-1.0461
19	A	A	-1.5540
20	E	A	-2.9951
21	K	A	-3.0737
22	T	A	-2.4026
23	K	A	-3.2342
24	Q	A	-3.1447
25	G	A	-1.9871
26	V	A	-0.5429
27	A	A	-1.4344
28	E	A	-2.4368
29	A	A	-1.5129
30	A	A	-1.5377
31	G	A	-2.4585
32	K	A	-2.8906
33	T	A	-1.7852
34	K	A	-2.0873
35	E	A	-1.7501
36	G	A	-0.0134
37	V	A	1.6718
38	L	A	1.7834
39	Y	A	1.6972
40	V	A	1.4586
41	G	A	0.4161
42	S	A	-0.4555
43	K	A	-1.4405
44	T	A	-1.1252
45	K	A	-2.1418
46	E	A	-2.3868
47	G	A	-1.0866
48	V	A	1.0364
49	V	A	1.3772
50	H	A	0.1515
51	G	A	0.9338
52	V	A	2.3374
53	A	A	0.9256
54	T	A	0.1157
55	V	A	0.6992
56	A	A	-1.0502
57	E	A	-2.9393
58	K	A	-3.0451
59	T	A	-2.4466
60	K	A	-3.4833
61	E	A	-3.7116
62	Q	A	-2.5678
63	V	A	-0.3407
64	T	A	-0.9536
65	N	A	-1.0094
66	V	A	1.1811