Project name: query_structure

Chain sequence(s)	A: GSSVSSVPTKLEVVAATPTSLLISWDASSSSVSYYRITYGETGGNSPVQEFTVPGSSSTATISGLSPGVDYTITVYAYIQYYDLYYASPSSINYRT
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:51)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:53)

• Minimal score value: -2.4492
• Maximal score value: 2.0187
• Average score: -0.2902
• Total score value: -27.8578

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	-0.4094
2	S	A	-0.0384
3	S	A	0.3849
4	V	A	1.5279
5	S	A	0.6666
6	S	A	0.0000
7	V	A	0.4782
8	P	A	0.0000
9	T	A	-1.5511
10	K	A	-2.4492
11	L	A	-1.4094
12	E	A	-1.3334
13	V	A	0.3847
14	V	A	1.6892
15	A	A	0.9497
16	A	A	0.2887
17	T	A	-0.3901
18	P	A	-0.8125
19	T	A	-0.5329
20	S	A	-0.3190
21	L	A	0.0000
22	L	A	0.7971
23	I	A	0.0000
24	S	A	-0.5560
25	W	A	0.0000
26	D	A	-2.4121
27	A	A	-1.1282
28	S	A	-0.4998
29	S	A	-0.1954
30	S	A	-0.3641
31	S	A	-0.3648
32	V	A	0.0000
33	S	A	-0.0968
34	Y	A	0.0354
35	Y	A	0.0000
36	R	A	-0.4622
37	I	A	0.0000
38	T	A	-0.7175
39	Y	A	0.0000
40	G	A	0.0000
41	E	A	-1.3820
42	T	A	-1.2281
43	G	A	-1.2327
44	G	A	-1.3580
45	N	A	-1.5446
46	S	A	-0.9159
47	P	A	-0.4308
48	V	A	0.2314
49	Q	A	-1.2518
50	E	A	-1.8453
51	F	A	-0.7095
52	T	A	-0.1849
53	V	A	0.0842
54	P	A	-0.2110
55	G	A	-0.2119
56	S	A	-0.3311
57	S	A	-0.4018
58	S	A	-0.6206
59	T	A	-0.1704
60	A	A	0.0000
61	T	A	0.2493
62	I	A	0.0000
63	S	A	-0.4750
64	G	A	-0.6857
65	L	A	0.0000
66	S	A	-0.8381
67	P	A	-0.9938
68	G	A	-1.0803
69	V	A	-0.9410
70	D	A	-1.8349
71	Y	A	0.0000
72	T	A	-0.8145
73	I	A	0.0000
74	T	A	-0.5034
75	V	A	0.0000
76	Y	A	0.2657
77	A	A	0.0000
78	Y	A	0.8000
79	I	A	0.0000
80	Q	A	0.2373
81	Y	A	1.1212
82	Y	A	1.0838
83	D	A	-0.1914
84	L	A	1.6460
85	Y	A	2.0187
86	Y	A	1.8825
87	A	A	0.9583
88	S	A	0.6893
89	P	A	0.0036
90	S	A	-0.1837
91	S	A	-0.4753
92	I	A	-0.6938
93	N	A	-1.6784
94	Y	A	-1.3696
95	R	A	-2.3218
96	T	A	-1.1781