Project name: query_structure

Chain sequence(s)	A: VSSVPTKLEVVAATPTSLLISWDAPAVTVVFYDITYGETGGNSPVQEFTVPGSKSTATISGLKPGVDYTITVYAKYLWYSGYSSPISINYRT
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                                          (00:01:22)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:23)

• Minimal score value: -2.688
• Maximal score value: 2.6026
• Average score: -0.2979
• Total score value: -27.4083

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	V	A	1.7824
2	S	A	0.7694
3	S	A	0.6671
4	V	A	0.4654
5	P	A	0.0000
6	T	A	-1.6714
7	K	A	-2.6880
8	L	A	0.0000
9	E	A	-1.9190
10	V	A	0.1202
11	V	A	1.5497
12	A	A	0.9070
13	A	A	0.3139
14	T	A	-0.3321
15	P	A	-1.1235
16	T	A	-1.0024
17	S	A	-0.5211
18	L	A	0.0000
19	L	A	0.7695
20	I	A	0.0000
21	S	A	-0.9706
22	W	A	0.0000
23	D	A	-2.6490
24	A	A	-1.2569
25	P	A	0.0053
26	A	A	0.4488
27	V	A	0.9577
28	T	A	0.7614
29	V	A	0.8870
30	V	A	1.4057
31	F	A	0.6749
32	Y	A	0.0000
33	D	A	-0.1598
34	I	A	0.0000
35	T	A	-0.4326
36	Y	A	-0.3072
37	G	A	0.0000
38	E	A	-1.8271
39	T	A	-1.4247
40	G	A	-1.3846
41	G	A	-1.3654
42	N	A	-1.6811
43	S	A	-0.8581
44	P	A	-0.2702
45	V	A	0.4871
46	Q	A	-0.7335
47	E	A	-1.5336
48	F	A	-0.5813
49	T	A	-0.1831
50	V	A	0.0000
51	P	A	-0.4503
52	G	A	-0.3333
53	S	A	-0.8691
54	K	A	-1.9330
55	S	A	-1.3621
56	T	A	-0.7499
57	A	A	0.0000
58	T	A	0.2467
59	I	A	0.0000
60	S	A	-0.6536
61	G	A	-1.0268
62	L	A	0.0000
63	K	A	-2.4256
64	P	A	-1.6813
65	G	A	-1.4951
66	V	A	-1.5763
67	D	A	-2.1974
68	Y	A	0.0000
69	T	A	-0.8517
70	I	A	0.0000
71	T	A	-0.1275
72	V	A	0.0000
73	Y	A	0.5806
74	A	A	0.0000
75	K	A	1.2079
76	Y	A	0.0000
77	L	A	2.6026
78	W	A	2.4962
79	Y	A	2.2815
80	S	A	1.0128
81	G	A	0.9551
82	Y	A	1.2622
83	S	A	0.0000
84	S	A	0.1482
85	P	A	0.2340
86	I	A	0.0143
87	S	A	-0.5651
88	I	A	-0.7480
89	N	A	-1.7614
90	Y	A	-1.4957
91	R	A	-2.5844
92	T	A	-1.6590