Project name: query_structure

Chain sequence(s)	A: MGSSHHHHHHYYLEVDNKFNKEFYNAWWEIRKLPNLNSYQKEAFKTSLKDDPSQSANLLAEAKKLNDAQAPKVD
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                                          (00:01:44)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:44)

• Minimal score value: -3.4682
• Maximal score value: 1.6091
• Average score: -1.3596
• Total score value: -100.6083

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	0.7606
2	G	A	-0.2297
3	S	A	-0.6906
4	S	A	-1.1853
5	H	A	-2.0383
6	H	A	-2.4496
7	H	A	-2.6105
8	H	A	-2.4184
9	H	A	-1.9012
10	H	A	-0.7234
11	Y	A	1.0753
12	Y	A	1.6091
13	L	A	1.5431
14	E	A	-0.3574
15	V	A	0.5840
16	D	A	-1.7432
17	N	A	-2.8689
18	K	A	-2.5856
19	F	A	-0.6544
20	N	A	-1.7117
21	K	A	-3.0863
22	E	A	-2.6163
23	F	A	-1.5586
24	Y	A	-0.7904
25	N	A	-1.6294
26	A	A	0.0000
27	W	A	-1.4251
28	W	A	-1.2604
29	E	A	-2.1932
30	I	A	0.0000
31	R	A	-3.4682
32	K	A	-2.9926
33	L	A	0.0000
34	P	A	-1.7270
35	N	A	-1.5209
36	L	A	0.0000
37	N	A	-1.4279
38	S	A	-1.0113
39	Y	A	0.0724
40	Q	A	-0.8532
41	K	A	-2.0796
42	E	A	-2.0770
43	A	A	-1.0636
44	F	A	0.0000
45	K	A	-1.7660
46	T	A	-1.9712
47	S	A	-2.0484
48	L	A	0.0000
49	K	A	-2.9431
50	D	A	-3.3444
51	D	A	-2.7518
52	P	A	-1.7995
53	S	A	-1.3161
54	Q	A	-1.9395
55	S	A	0.0000
56	A	A	-1.1671
57	N	A	-1.5943
58	L	A	-1.2951
59	L	A	-1.2867
60	A	A	-1.5310
61	E	A	-2.3262
62	A	A	0.0000
63	K	A	-2.6075
64	K	A	-2.9837
65	L	A	-1.8086
66	N	A	0.0000
67	D	A	-3.0824
68	A	A	-1.8455
69	Q	A	-1.9132
70	A	A	-1.4783
71	P	A	-1.2429
72	K	A	-1.7686
73	V	A	0.0113
74	D	A	-1.5038