Project name: query_structure

Chain sequence(s)	A: MGSSHHHHHHYYLEVDNKFNKEFYNAWWEIRKLPNLNAWQKEAFKTSLKDDPSQSANLLAEAKKLNDAQAPKVD
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                                          (00:02:14)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:14)

• Minimal score value: -3.3804
• Maximal score value: 2.1877
• Average score: -1.3591
• Total score value: -100.5721

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	0.7748
2	G	A	-0.2072
3	S	A	-0.7292
4	S	A	-1.3250
5	H	A	-2.0561
6	H	A	-2.4450
7	H	A	-2.6129
8	H	A	-2.4219
9	H	A	-1.8633
10	H	A	-0.6460
11	Y	A	1.2474
12	Y	A	2.1877
13	L	A	1.6925
14	E	A	-0.5236
15	V	A	0.4119
16	D	A	-2.0671
17	N	A	-2.7384
18	K	A	-2.4590
19	F	A	-0.3925
20	N	A	-1.9652
21	K	A	-2.9938
22	E	A	-2.3828
23	F	A	-1.5126
24	Y	A	-0.7393
25	N	A	-1.5366
26	A	A	0.0000
27	W	A	-1.1959
28	W	A	-0.6560
29	E	A	-1.3110
30	I	A	0.0000
31	R	A	-3.1430
32	K	A	-2.6446
33	L	A	0.0000
34	P	A	-1.6538
35	N	A	-1.5348
36	L	A	0.0000
37	N	A	-1.6020
38	A	A	-0.9376
39	W	A	-0.0480
40	Q	A	-0.9635
41	K	A	-2.0845
42	E	A	-2.1762
43	A	A	-1.1588
44	F	A	0.0000
45	K	A	-1.9641
46	T	A	-2.0926
47	S	A	-2.1289
48	L	A	0.0000
49	K	A	-3.1260
50	D	A	-3.3804
51	D	A	-2.7763
52	P	A	-1.7973
53	S	A	-1.3101
54	Q	A	-1.9351
55	S	A	0.0000
56	A	A	-1.2666
57	N	A	-1.8470
58	L	A	-1.5887
59	L	A	-1.3965
60	A	A	-1.8409
61	E	A	-2.9362
62	A	A	0.0000
63	K	A	-2.7974
64	K	A	-3.2010
65	L	A	-1.9682
66	N	A	0.0000
67	D	A	-3.1357
68	A	A	-1.8284
69	Q	A	-1.8805
70	A	A	-1.4582
71	P	A	-1.2226
72	K	A	-1.7731
73	V	A	0.0048
74	D	A	-1.5122