Project name: query_structure

Chain sequence(s)	A: GSSVPTNLEVVAATPTSLLISWDASYYYVSYYRITYGETGGNSPVQEFTVPSYYSTATISGLKPGVDYTITVYAYYSSYYSSYYYSYSPISINYRT
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                                          (00:00:31)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:31)

• Minimal score value: -2.4477
• Maximal score value: 2.3097
• Average score: -0.0113
• Total score value: -1.0886

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	G	A	-0.2020
2	S	A	-0.0172
3	S	A	0.0000
4	V	A	0.2064
5	P	A	0.0000
6	T	A	-1.4255
7	N	A	-2.1692
8	L	A	0.0000
9	E	A	-1.7358
10	V	A	0.1480
11	V	A	1.5480
12	A	A	0.9084
13	A	A	0.3270
14	T	A	-0.3243
15	P	A	-1.0993
16	T	A	-0.9859
17	S	A	-0.5074
18	L	A	0.0000
19	L	A	0.7744
20	I	A	0.0000
21	S	A	-0.4998
22	W	A	0.0000
23	D	A	-1.8944
24	A	A	0.0794
25	S	A	0.6905
26	Y	A	1.7659
27	Y	A	2.1327
28	Y	A	2.3097
29	V	A	1.7993
30	S	A	1.0413
31	Y	A	0.8426
32	Y	A	0.0000
33	R	A	-0.5150
34	I	A	0.0000
35	T	A	0.0000
36	Y	A	-0.2275
37	G	A	0.0000
38	E	A	-1.5306
39	T	A	-1.2326
40	G	A	-1.3105
41	G	A	-1.2393
42	N	A	-1.6746
43	S	A	-0.8277
44	P	A	-0.2522
45	V	A	0.5143
46	Q	A	-0.7746
47	E	A	-1.5777
48	F	A	-0.5556
49	T	A	-0.2465
50	V	A	0.0000
51	P	A	0.6272
52	S	A	1.2773
53	Y	A	1.9254
54	Y	A	1.7147
55	S	A	0.4652
56	T	A	0.3728
57	A	A	0.0000
58	T	A	0.0727
59	I	A	0.0000
60	S	A	-0.6490
61	G	A	-1.0231
62	L	A	0.0000
63	K	A	-2.3408
64	P	A	-1.6556
65	G	A	-1.4426
66	V	A	-1.3904
67	D	A	-1.8806
68	Y	A	-1.1624
69	T	A	-0.6853
70	I	A	0.0000
71	T	A	0.0000
72	V	A	0.0000
73	Y	A	0.3085
74	A	A	0.0000
75	Y	A	1.2597
76	Y	A	1.7667
77	S	A	1.6616
78	S	A	1.7813
79	Y	A	2.1587
80	Y	A	2.0250
81	S	A	1.4609
82	S	A	1.0748
83	Y	A	2.0433
84	Y	A	1.7510
85	Y	A	1.6306
86	S	A	0.9430
87	Y	A	0.7607
88	S	A	0.0533
89	P	A	0.0675
90	I	A	-0.0515
91	S	A	-0.5123
92	I	A	-0.6665
93	N	A	-1.6591
94	Y	A	-1.3955
95	R	A	-2.4477
96	T	A	-1.5908