Project name: query_structure

Chain sequence(s)	A: GSSVPTNLEVVAATPTSLLISWDASYSSYVSYYRITYGETGGNSPVQEFTVPGSKSTATISGLKPGVDYTITVYAYSYYYYYYSSPISINYRT
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                                          (00:00:30)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:30)

• Minimal score value: -2.5955
• Maximal score value: 3.6564
• Average score: -0.2194
• Total score value: -20.4056

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	-0.2054
2	S	A	-0.1113
3	S	A	0.6820
4	V	A	0.2839
5	P	A	0.0000
6	T	A	-1.2501
7	N	A	-2.0268
8	L	A	-1.3060
9	E	A	-1.6375
10	V	A	0.2085
11	V	A	1.5754
12	A	A	0.9085
13	A	A	0.3210
14	T	A	-0.1758
15	P	A	-1.1611
16	T	A	-1.0374
17	S	A	-0.5257
18	L	A	0.0000
19	L	A	0.7752
20	I	A	0.0000
21	S	A	-0.7343
22	W	A	0.0000
23	D	A	-1.9134
24	A	A	-0.7240
25	S	A	0.3312
26	Y	A	1.1007
27	S	A	0.8005
28	S	A	0.7285
29	Y	A	1.9688
30	V	A	1.5928
31	S	A	0.8273
32	Y	A	0.2584
33	Y	A	0.0000
34	R	A	-0.4235
35	I	A	0.0000
36	T	A	-0.6353
37	Y	A	-0.4401
38	G	A	0.0000
39	E	A	-1.9351
40	T	A	-1.4220
41	G	A	-1.3822
42	G	A	-1.3585
43	N	A	-1.7286
44	S	A	-0.9899
45	P	A	-0.4139
46	V	A	0.2517
47	Q	A	-1.2459
48	E	A	-1.8188
49	F	A	-0.6804
50	T	A	-0.1761
51	V	A	-0.2586
52	P	A	-0.5642
53	G	A	-0.4780
54	S	A	-0.9623
55	K	A	-1.7470
56	S	A	-1.1463
57	T	A	-0.5882
58	A	A	0.0000
59	T	A	0.0944
60	I	A	0.0000
61	S	A	-0.6528
62	G	A	-1.0352
63	L	A	0.0000
64	K	A	-2.4815
65	P	A	-1.8129
66	G	A	-1.5759
67	V	A	-1.6588
68	D	A	-2.1343
69	Y	A	-1.3428
70	T	A	-0.7518
71	I	A	0.0000
72	T	A	-0.2915
73	V	A	0.0000
74	Y	A	0.3539
75	A	A	0.0000
76	Y	A	1.8571
77	S	A	0.0000
78	Y	A	3.4242
79	Y	A	3.4259
80	Y	A	3.6311
81	Y	A	3.6564
82	Y	A	3.0490
83	Y	A	1.6736
84	S	A	0.8219
85	S	A	0.1092
86	P	A	-0.0683
87	I	A	0.0872
88	S	A	-0.4241
89	I	A	-0.4863
90	N	A	-1.6588
91	Y	A	-1.4687
92	R	A	-2.5955
93	T	A	-1.5610