Project name: query_structure

Chain sequence(s)	A: VSSVPTKLEVVAATPTSLLISWDAPAVTVDHYVITYGETGAYWSYQEFTVPGSKTTATISGLKPGVDYTITVYAYWEHMYHYSPISINYRT
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                                          (00:01:48)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:49)

• Minimal score value: -2.6367
• Maximal score value: 1.8353
• Average score: -0.4111
• Total score value: -37.4103

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	1.8353
2	S	A	0.8918
3	S	A	0.8511
4	V	A	0.5829
5	P	A	0.0000
6	T	A	-1.6230
7	K	A	-2.6210
8	L	A	0.0000
9	E	A	-1.9097
10	V	A	0.1324
11	V	A	1.5657
12	A	A	0.9202
13	A	A	0.3376
14	T	A	-0.3411
15	P	A	-1.1251
16	T	A	-0.9980
17	S	A	-0.5215
18	L	A	0.0000
19	L	A	0.8035
20	I	A	0.0000
21	S	A	-0.9353
22	W	A	0.0000
23	D	A	-2.6367
24	A	A	-1.1933
25	P	A	0.1155
26	A	A	0.5682
27	V	A	0.5613
28	T	A	-0.4185
29	V	A	-0.9424
30	D	A	-2.0979
31	H	A	-1.4771
32	Y	A	0.0000
33	V	A	0.1198
34	I	A	0.0000
35	T	A	0.0000
36	Y	A	-0.7011
37	G	A	0.0000
38	E	A	-1.0963
39	T	A	-0.8976
40	G	A	-0.2678
41	A	A	0.5295
42	Y	A	1.7221
43	W	A	1.6206
44	S	A	0.3825
45	Y	A	0.0252
46	Q	A	-1.4228
47	E	A	-1.8492
48	F	A	-0.5145
49	T	A	-0.1495
50	V	A	0.0000
51	P	A	-1.2575
52	G	A	-1.4496
53	S	A	-1.4393
54	K	A	-2.0442
55	T	A	-1.4070
56	T	A	-0.7207
57	A	A	0.0000
58	T	A	0.2584
59	I	A	0.0000
60	S	A	-0.6538
61	G	A	-1.0270
62	L	A	0.0000
63	K	A	-2.3741
64	P	A	-1.6596
65	G	A	-1.4567
66	V	A	-1.4398
67	D	A	-2.0720
68	Y	A	0.0000
69	T	A	-0.8609
70	I	A	0.0000
71	T	A	-0.1539
72	V	A	0.0000
73	Y	A	0.7495
74	A	A	0.0000
75	Y	A	0.0819
76	W	A	-0.6338
77	E	A	-2.0182
78	H	A	-1.0328
79	M	A	0.7606
80	Y	A	1.3877
81	H	A	0.6669
82	Y	A	1.5393
83	S	A	0.8121
84	P	A	0.4770
85	I	A	0.2841
86	S	A	-0.4925
87	I	A	-0.7346
88	N	A	-1.7549
89	Y	A	-1.5058
90	R	A	-2.5498
91	T	A	-1.5151