Project name: Bruna

Chain sequence(s)	A: MGGFGNQGGFGNSRGGGAGLGNNQGSNMGGGMNFGAFSINPAMMAAAQAALQSSWGMMGMLASQQNQSGPSGNNQNQGNMQ
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                                          (00:00:25)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:25)

• Minimal score value: -3.3057
• Maximal score value: 1.9649
• Average score: -0.6887
• Total score value: -55.7839

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	0.9498
2	G	A	0.2298
3	G	A	0.0218
4	F	A	1.0531
5	G	A	-0.7085
6	N	A	-1.8118
7	Q	A	-1.7533
8	G	A	-1.2673
9	G	A	-0.8220
10	F	A	0.7057
11	G	A	-0.7228
12	N	A	-1.8970
13	S	A	-1.9711
14	R	A	-2.8565
15	G	A	-2.0752
16	G	A	-1.4590
17	G	A	-1.2141
18	A	A	-0.4749
19	G	A	-0.5625
20	L	A	0.5365
21	G	A	-1.0075
22	N	A	-2.3816
23	N	A	-2.6243
24	Q	A	-2.7963
25	G	A	-1.9888
26	S	A	-1.5633
27	N	A	-1.3869
28	M	A	-0.1369
29	G	A	-0.5098
30	G	A	-0.7397
31	G	A	-0.1735
32	M	A	0.8198
33	N	A	0.4691
34	F	A	1.7492
35	G	A	1.0016
36	A	A	1.4640
37	F	A	1.9649
38	S	A	0.4974
39	I	A	1.2132
40	N	A	-0.1386
41	P	A	0.0198
42	A	A	0.2572
43	M	A	0.8735
44	M	A	0.9243
45	A	A	0.3713
46	A	A	0.1832
47	A	A	0.0782
48	Q	A	-0.8124
49	A	A	-0.3521
50	A	A	-0.1351
51	L	A	0.0517
52	Q	A	-0.7469
53	S	A	-0.1958
54	S	A	0.4585
55	W	A	1.2784
56	G	A	0.6392
57	M	A	1.3598
58	M	A	1.3929
59	G	A	0.6450
60	M	A	0.7848
61	L	A	0.4259
62	A	A	-0.4951
63	S	A	-1.0890
64	Q	A	-1.8999
65	Q	A	-2.0306
66	N	A	-2.5531
67	Q	A	-2.6869
68	S	A	-2.3333
69	G	A	-2.2026
70	P	A	-1.4913
71	S	A	-1.2843
72	G	A	-2.1994
73	N	A	-2.8616
74	N	A	-3.3057
75	Q	A	-3.2410
76	N	A	-3.1615
77	Q	A	-2.6660
78	G	A	-2.1984
79	N	A	-1.5565
80	M	A	-0.4640
81	Q	A	-1.1978