Project name: query_structure

Chain sequence(s)	A: VSSVPTKLEVVAATPTSLLISWDAGRWFVEYYRITYGETGGNSPVQEFTVPYSSSTATISGLSPGVDYTITVYAHYWSTWYSPISINYRT
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                                        (00:00:03)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:00)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:01)

• Minimal score value: -2.4192
• Maximal score value: 1.8775
• Average score: -0.2548
• Total score value: -22.9284

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	1.4620
2	S	A	0.4683
3	S	A	0.4264
4	V	A	0.1337
5	P	A	0.0000
6	T	A	-1.2161
7	K	A	-2.2543
8	L	A	0.0000
9	E	A	-1.7588
10	V	A	0.1063
11	V	A	1.5409
12	A	A	0.9025
13	A	A	0.3205
14	T	A	-0.1953
15	P	A	-0.8004
16	T	A	-0.5315
17	S	A	-0.3141
18	L	A	0.0000
19	L	A	0.7470
20	I	A	0.0000
21	S	A	-0.5315
22	W	A	0.0000
23	D	A	-1.5118
24	A	A	-0.4565
25	G	A	-0.1936
26	R	A	-0.9918
27	W	A	0.6255
28	F	A	1.8775
29	V	A	0.0000
30	E	A	0.0996
31	Y	A	0.4629
32	Y	A	0.0000
33	R	A	-0.3855
34	I	A	0.0000
35	T	A	0.0000
36	Y	A	-0.3027
37	G	A	-0.6933
38	E	A	-1.5025
39	T	A	-1.3605
40	G	A	-1.2963
41	G	A	-1.4820
42	N	A	-1.5875
43	S	A	-0.9075
44	P	A	-0.3363
45	V	A	0.4371
46	Q	A	-0.7690
47	E	A	-1.5613
48	F	A	-0.5613
49	T	A	-0.0538
50	V	A	0.2551
51	P	A	0.1754
52	Y	A	1.0898
53	S	A	0.4188
54	S	A	0.1892
55	S	A	-0.0811
56	T	A	-0.0778
57	A	A	0.0000
58	T	A	0.2564
59	I	A	0.0000
60	S	A	-0.4753
61	G	A	-0.6828
62	L	A	0.0000
63	S	A	-0.8554
64	P	A	-1.0028
65	G	A	-1.1223
66	V	A	-1.0237
67	D	A	-2.0290
68	Y	A	0.0000
69	T	A	-0.8516
70	I	A	0.0000
71	T	A	-0.1514
72	V	A	0.0000
73	Y	A	0.2836
74	A	A	0.0000
75	H	A	0.5571
76	Y	A	0.0000
77	W	A	1.0794
78	S	A	0.4567
79	T	A	0.5900
80	W	A	1.0651
81	Y	A	0.6953
82	S	A	0.1972
83	P	A	0.1499
84	I	A	0.0805
85	S	A	-0.5234
86	I	A	-0.6983
87	N	A	-1.7756
88	Y	A	-1.5343
89	R	A	-2.4192
90	T	A	-1.2189