Project name: query_structure

Chain sequence(s)	A: VSSVPTKLEVVAATPTSLLISWDAPAVTVDYYYITYGETGAAFGYQEFTVPGSKSTATISGLSPGVDYTITVYAYGYPYVKYNKSPISINYRT
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                                          (00:01:24)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:25)

• Minimal score value: -2.6871
• Maximal score value: 2.0067
• Average score: -0.3543
• Total score value: -32.9483

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	1.7820
2	S	A	0.6015
3	S	A	0.0412
4	V	A	-0.0009
5	P	A	0.0000
6	T	A	-1.6828
7	K	A	-2.6814
8	L	A	0.0000
9	E	A	-1.9157
10	V	A	0.1154
11	V	A	1.5490
12	A	A	0.9078
13	A	A	0.3259
14	T	A	-0.1907
15	P	A	-0.8015
16	T	A	-0.5340
17	S	A	-0.3066
18	L	A	0.0000
19	L	A	0.7762
20	I	A	0.0000
21	S	A	-0.9765
22	W	A	0.0000
23	D	A	-2.6871
24	A	A	-1.2686
25	P	A	0.0001
26	A	A	0.4438
27	V	A	0.6683
28	T	A	0.1682
29	V	A	0.0056
30	D	A	-0.4298
31	Y	A	-0.1268
32	Y	A	0.0000
33	Y	A	0.2798
34	I	A	0.0000
35	T	A	-0.5985
36	Y	A	-0.7079
37	G	A	0.0000
38	E	A	-1.0970
39	T	A	-1.0974
40	G	A	-0.5037
41	A	A	0.1493
42	A	A	0.7841
43	F	A	1.6988
44	G	A	0.3885
45	Y	A	0.0045
46	Q	A	-1.2367
47	E	A	-1.7756
48	F	A	-0.4540
49	T	A	0.0146
50	V	A	0.0000
51	P	A	-0.8637
52	G	A	-0.9751
53	S	A	-1.2515
54	K	A	-2.1579
55	S	A	-1.4368
56	T	A	-0.7668
57	A	A	0.0000
58	T	A	0.2464
59	I	A	0.0000
60	S	A	-0.4721
61	G	A	-0.6871
62	L	A	0.0000
63	S	A	-0.8697
64	P	A	-0.9937
65	G	A	-1.1005
66	V	A	-0.9790
67	D	A	-1.8895
68	Y	A	0.0000
69	T	A	-0.9502
70	I	A	0.0000
71	T	A	-0.1787
72	V	A	0.0000
73	Y	A	0.2120
74	A	A	0.0000
75	Y	A	0.5050
76	G	A	0.0000
77	Y	A	1.5900
78	P	A	1.2505
79	Y	A	2.0067
80	V	A	1.7029
81	K	A	-0.5799
82	Y	A	-0.5935
83	N	A	-1.4270
84	K	A	-2.3077
85	S	A	-1.0406
86	P	A	-0.3789
87	I	A	0.0769
88	S	A	-0.5369
89	I	A	-0.7389
90	N	A	-1.7789
91	Y	A	-1.5165
92	R	A	-2.3813
93	T	A	-1.3177