Project name: query_structure

Chain sequence(s)	A: GSSVSSVPTKLEVVAATPTSLLISWDASSSSVSHYEITYGETGGNSPVQEFTVPGSSSTATISGLSPGVDYTITVYAYYSHEDIFYAVSPSSINYRT
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                                          (00:00:24)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:25)

• Minimal score value: -2.6385
• Maximal score value: 2.4959
• Average score: -0.3317
• Total score value: -32.1744

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	-0.4210
2	S	A	-0.1071
3	S	A	0.3537
4	V	A	1.4822
5	S	A	0.5702
6	S	A	0.2034
7	V	A	-0.1509
8	P	A	0.0000
9	T	A	-1.2967
10	K	A	-2.6385
11	L	A	0.0000
12	E	A	-1.6474
13	V	A	0.2581
14	V	A	1.6228
15	A	A	0.9360
16	A	A	0.2970
17	T	A	-0.3861
18	P	A	-0.8078
19	T	A	-0.5278
20	S	A	-0.3137
21	L	A	0.0000
22	L	A	0.7888
23	I	A	0.0000
24	S	A	-0.6925
25	W	A	0.0000
26	D	A	-2.5416
27	A	A	-1.2242
28	S	A	-0.8442
29	S	A	-0.6022
30	S	A	-0.3943
31	S	A	-0.3837
32	V	A	0.0000
33	S	A	0.0941
34	H	A	-0.0964
35	Y	A	0.0000
36	E	A	-0.4855
37	I	A	0.0000
38	T	A	-0.4839
39	Y	A	-0.2946
40	G	A	0.0000
41	E	A	-1.3031
42	T	A	-1.2002
43	G	A	-1.2122
44	G	A	-1.3333
45	N	A	-1.5367
46	S	A	-0.8518
47	P	A	-0.3135
48	V	A	0.4590
49	Q	A	-0.8104
50	E	A	-1.6028
51	F	A	-0.5716
52	T	A	-0.2694
53	V	A	-0.0786
54	P	A	-0.4191
55	G	A	-0.4418
56	S	A	-0.4425
57	S	A	-0.4737
58	S	A	-0.6636
59	T	A	-0.2201
60	A	A	0.0000
61	T	A	0.2373
62	I	A	0.0000
63	S	A	-0.4727
64	G	A	-0.6839
65	L	A	0.0000
66	S	A	-0.8262
67	P	A	-0.9846
68	G	A	-1.0731
69	V	A	-0.9126
70	D	A	-1.7981
71	Y	A	0.0000
72	T	A	-0.7584
73	I	A	0.0000
74	T	A	-0.3976
75	V	A	0.0000
76	Y	A	0.4107
77	A	A	0.0000
78	Y	A	1.2363
79	Y	A	0.9146
80	S	A	0.2308
81	H	A	-0.7381
82	E	A	-2.1212
83	D	A	-1.4476
84	I	A	1.2874
85	F	A	2.4959
86	Y	A	2.3220
87	A	A	1.4348
88	V	A	0.7830
89	S	A	0.0839
90	P	A	-0.0214
91	S	A	-0.4419
92	S	A	-0.6383
93	I	A	-0.7451
94	N	A	-1.6713
95	Y	A	-1.3801
96	R	A	-2.3087
97	T	A	-1.1710