Project name: query_structure

Chain sequence(s)	A: VSDVPRDLEVVAATPTSLLISWDAPSSFRNYYRITYGETGGNSPVQEFTVPGSKSTATISGLKPGVDYTITVYAVTRRENFSKPISINYRT
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:59)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:00)

• Minimal score value: -3.8291
• Maximal score value: 1.5641
• Average score: -0.9528
• Total score value: -86.7093

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	1.5234
2	S	A	0.1083
3	D	A	-0.5738
4	V	A	-0.6302
5	P	A	0.0000
6	R	A	-3.0656
7	D	A	-3.3109
8	L	A	-2.1062
9	E	A	-2.0140
10	V	A	0.1421
11	V	A	1.5641
12	A	A	0.9006
13	A	A	0.3223
14	T	A	-0.5258
15	P	A	-1.0916
16	T	A	-0.9765
17	S	A	-0.5271
18	L	A	0.0000
19	L	A	0.7497
20	I	A	0.0000
21	S	A	-1.1019
22	W	A	0.0000
23	D	A	-3.2363
24	A	A	-2.1038
25	P	A	-0.9718
26	S	A	-0.7709
27	S	A	-0.6899
28	F	A	0.0000
29	R	A	-2.5479
30	N	A	-1.9645
31	Y	A	-1.1098
32	Y	A	0.0000
33	R	A	-0.4581
34	I	A	0.0000
35	T	A	-0.4509
36	Y	A	-0.2339
37	G	A	0.0000
38	E	A	-1.7285
39	T	A	-1.4350
40	G	A	-1.3198
41	G	A	-1.4849
42	N	A	-1.5462
43	S	A	-0.8643
44	P	A	-0.2844
45	V	A	0.5066
46	Q	A	-0.7054
47	E	A	-1.4159
48	F	A	-0.5675
49	T	A	-0.2913
50	V	A	0.0000
51	P	A	-1.1151
52	G	A	-1.4931
53	S	A	-1.6035
54	K	A	-2.2607
55	S	A	-1.5437
56	T	A	-0.7624
57	A	A	0.0000
58	T	A	0.2381
59	I	A	0.0000
60	S	A	-0.6597
61	G	A	-1.0292
62	L	A	0.0000
63	K	A	-2.4059
64	P	A	-1.6598
65	G	A	-1.3997
66	V	A	-1.5919
67	D	A	-2.5746
68	Y	A	0.0000
69	T	A	-0.9008
70	I	A	0.0000
71	T	A	-0.3382
72	V	A	0.0000
73	Y	A	-0.0214
74	A	A	0.0000
75	V	A	0.0000
76	T	A	-2.5246
77	R	A	-3.6773
78	R	A	-3.8291
79	E	A	-3.5184
80	N	A	-2.4885
81	F	A	-0.3302
82	S	A	-0.5518
83	K	A	-1.4344
84	P	A	-0.6511
85	I	A	-0.8610
86	S	A	-0.8652
87	I	A	-0.7379
88	N	A	-1.8417
89	Y	A	-1.5907
90	R	A	-2.7045
91	T	A	-1.6938