Project name: query_structure

Chain sequence(s)	A: VSSVPTKLEVVAATPTSLLISWDANSWYVTYYRITYGETGGNSPVQEFTVPYSSSTATISGLSPGVDYTITVYAHYWSTWYSPISINYRT
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                                          (00:00:23)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:24)

• Minimal score value: -2.7744
• Maximal score value: 2.1799
• Average score: -0.1886
• Total score value: -16.9779

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	1.5724
2	S	A	0.5562
3	S	A	0.6984
4	V	A	0.0457
5	P	A	0.0000
6	T	A	-1.7665
7	K	A	-2.6383
8	L	A	0.0000
9	E	A	-1.9308
10	V	A	0.0951
11	V	A	1.5267
12	A	A	0.8900
13	A	A	0.3004
14	T	A	-0.3806
15	P	A	-0.8091
16	T	A	-0.5296
17	S	A	-0.3158
18	L	A	0.0000
19	L	A	0.7347
20	I	A	0.0000
21	S	A	-0.8096
22	W	A	0.0000
23	D	A	-2.7744
24	A	A	-1.1615
25	N	A	-0.5388
26	S	A	0.7752
27	W	A	1.7615
28	Y	A	2.1799
29	V	A	0.0000
30	T	A	1.2704
31	Y	A	1.0446
32	Y	A	0.0000
33	R	A	-0.3013
34	I	A	0.0000
35	T	A	0.0000
36	Y	A	-0.3057
37	G	A	0.0000
38	E	A	-1.3048
39	T	A	-1.2128
40	G	A	-1.2306
41	G	A	-1.3583
42	N	A	-1.5415
43	S	A	-0.8431
44	P	A	-0.3159
45	V	A	0.4520
46	Q	A	-0.8344
47	E	A	-1.6204
48	F	A	-0.6319
49	T	A	-0.0637
50	V	A	0.3948
51	P	A	0.4444
52	Y	A	1.4469
53	S	A	0.5001
54	S	A	0.0517
55	S	A	-0.5066
56	T	A	-0.2656
57	A	A	0.0000
58	T	A	0.3053
59	I	A	0.0000
60	S	A	-0.4724
61	G	A	-0.6862
62	L	A	0.0000
63	S	A	-0.8376
64	P	A	-0.9921
65	G	A	-1.0714
66	V	A	-0.9280
67	D	A	-1.8148
68	Y	A	0.0000
69	T	A	-0.7611
70	I	A	0.0000
71	T	A	-0.1640
72	V	A	0.0000
73	Y	A	0.3038
74	A	A	0.0000
75	H	A	0.9654
76	Y	A	1.5630
77	W	A	1.5039
78	S	A	0.5559
79	T	A	0.6369
80	W	A	0.9620
81	Y	A	0.6185
82	S	A	0.1596
83	P	A	0.1277
84	I	A	0.0962
85	S	A	-0.5144
86	I	A	-0.6861
87	N	A	-1.6962
88	Y	A	-1.4137
89	R	A	-2.3139
90	T	A	-1.1737