Project name: query_structure

Chain sequence(s)	A: VSDVPRDLEVVAATPTSLLISWDIRNTAHGYYRITYGETGGNSPVQEFTVPGSKSTATISGLKPGVDYTITVYAVTTRPKIGLPISINYRT
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                                          (00:02:19)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:20)

• Minimal score value: -2.7815
• Maximal score value: 1.6241
• Average score: -0.6897
• Total score value: -62.7654

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	1.0402
2	S	A	-0.0646
3	D	A	-1.2561
4	V	A	0.0000
5	P	A	0.0000
6	R	A	-2.5386
7	D	A	-2.7815
8	L	A	0.0000
9	E	A	-1.9381
10	V	A	0.0815
11	V	A	1.5380
12	A	A	0.8976
13	A	A	0.3026
14	T	A	-0.5266
15	P	A	-1.1270
16	T	A	-0.9965
17	S	A	-0.5284
18	L	A	0.0000
19	L	A	0.7482
20	I	A	0.0000
21	S	A	-0.8077
22	W	A	0.0000
23	D	A	-2.3522
24	I	A	-2.0227
25	R	A	-2.6555
26	N	A	-2.3976
27	T	A	-1.4746
28	A	A	-1.3709
29	H	A	-1.3484
30	G	A	-0.5403
31	Y	A	0.1137
32	Y	A	0.0000
33	R	A	-0.5523
34	I	A	0.0000
35	T	A	-0.6784
36	Y	A	-0.4253
37	G	A	0.0000
38	E	A	-1.6255
39	T	A	-1.2806
40	G	A	-1.2552
41	G	A	-1.3936
42	N	A	-1.5530
43	S	A	-0.9246
44	P	A	-0.4107
45	V	A	0.2760
46	Q	A	-1.2097
47	E	A	-1.8689
48	F	A	-0.8226
49	T	A	-0.2262
50	V	A	0.0000
51	P	A	-0.6861
52	G	A	0.0000
53	S	A	-1.1833
54	K	A	-1.6482
55	S	A	-0.9938
56	T	A	-0.5336
57	A	A	0.0000
58	T	A	0.2361
59	I	A	0.0000
60	S	A	-0.6576
61	G	A	-1.0297
62	L	A	0.0000
63	K	A	-2.3880
64	P	A	-1.6823
65	G	A	-1.4726
66	V	A	-1.5090
67	D	A	-2.1814
68	Y	A	0.0000
69	T	A	-0.7896
70	I	A	0.0000
71	T	A	-0.3456
72	V	A	0.0000
73	Y	A	0.7358
74	A	A	0.5738
75	V	A	0.0518
76	T	A	-0.8322
77	T	A	-1.1341
78	R	A	-2.3051
79	P	A	-1.3751
80	K	A	-1.4836
81	I	A	1.0465
82	G	A	0.5790
83	L	A	1.6241
84	P	A	0.9092
85	I	A	0.2627
86	S	A	-0.4179
87	I	A	-0.7289
88	N	A	-1.7414
89	Y	A	-1.4835
90	R	A	-2.5651
91	T	A	-1.6606