Project name: query_structure

Chain sequence(s)	A: GSSVSSVPTKLEVVAATPTSLLISWDASSSSVSHYEITYGETGGNSPVQEFTVPGSSSTATISGLSPGVDYTITVAAYHSYHDIFYAVSPSSINYRT
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                                          (00:00:22)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:22)

• Minimal score value: -2.5534
• Maximal score value: 3.0624
• Average score: -0.282
• Total score value: -27.3558

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	-0.4340
2	S	A	-0.1661
3	S	A	0.3704
4	V	A	1.4903
5	S	A	0.6355
6	S	A	0.2557
7	V	A	-0.0556
8	P	A	0.0000
9	T	A	-1.5392
10	K	A	-2.5534
11	L	A	-1.5759
12	E	A	-1.6215
13	V	A	0.2585
14	V	A	1.6166
15	A	A	0.9225
16	A	A	0.2977
17	T	A	-0.3832
18	P	A	-0.8285
19	T	A	-0.5483
20	S	A	-0.3146
21	L	A	0.0000
22	L	A	0.7704
23	I	A	0.0000
24	S	A	-0.6588
25	W	A	0.0000
26	D	A	-2.4974
27	A	A	-1.1822
28	S	A	-0.7692
29	S	A	-0.6196
30	S	A	-0.4286
31	S	A	-0.2054
32	V	A	0.2821
33	S	A	0.2596
34	H	A	-0.2128
35	Y	A	0.0000
36	E	A	-0.7666
37	I	A	0.0000
38	T	A	-0.5973
39	Y	A	-0.2578
40	G	A	0.0000
41	E	A	-1.3740
42	T	A	-1.2500
43	G	A	-1.3494
44	G	A	-1.2601
45	N	A	-1.6859
46	S	A	-0.8420
47	P	A	-0.2837
48	V	A	0.4710
49	Q	A	-0.7895
50	E	A	-1.6103
51	F	A	-0.5983
52	T	A	-0.3731
53	V	A	-0.1199
54	P	A	-0.4143
55	G	A	-0.4515
56	S	A	-0.4219
57	S	A	-0.4608
58	S	A	-0.6554
59	T	A	-0.2171
60	A	A	0.0000
61	T	A	0.2496
62	I	A	0.0000
63	S	A	-0.4721
64	G	A	-0.6846
65	L	A	0.0000
66	S	A	-0.8486
67	P	A	-1.0228
68	G	A	-1.1082
69	V	A	-0.9511
70	D	A	-1.6818
71	Y	A	-0.9830
72	T	A	-0.6933
73	I	A	0.0000
74	T	A	-0.5157
75	V	A	0.0000
76	A	A	0.0000
77	A	A	0.0000
78	Y	A	1.2586
79	H	A	1.2415
80	S	A	1.2140
81	Y	A	1.4747
82	H	A	-0.4317
83	D	A	-0.5037
84	I	A	2.1602
85	F	A	3.0624
86	Y	A	2.6449
87	A	A	1.3412
88	V	A	0.8430
89	S	A	0.1402
90	P	A	-0.1776
91	S	A	-0.4562
92	S	A	-0.6250
93	I	A	-0.6656
94	N	A	-1.6126
95	Y	A	-1.3413
96	R	A	-2.2923
97	T	A	-1.1760