Project name: query_structure

Chain sequence(s)	A: VSDVPRDLEVVAATPTSLLISWDAPAVTVVLYVITYGETGGNSPVQEFTVPGSKSTATISGLKPGVDYTITVYAQYESGTWLYRGSPISINYRT
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                                          (00:01:17)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:19)

• Minimal score value: -3.0649
• Maximal score value: 1.7509
• Average score: -0.5487
• Total score value: -51.5824

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	1.7509
2	S	A	0.5729
3	D	A	-0.0068
4	V	A	-0.3265
5	P	A	0.0000
6	R	A	-2.6861
7	D	A	-3.0649
8	L	A	0.0000
9	E	A	-2.0212
10	V	A	0.0780
11	V	A	1.5234
12	A	A	0.8852
13	A	A	0.2991
14	T	A	-0.5282
15	P	A	-1.1309
16	T	A	-1.0003
17	S	A	-0.5343
18	L	A	0.0000
19	L	A	0.7240
20	I	A	0.0000
21	S	A	-0.9525
22	W	A	0.0000
23	D	A	-2.3082
24	A	A	-1.1590
25	P	A	0.0000
26	A	A	0.3757
27	V	A	0.5265
28	T	A	-0.0028
29	V	A	0.0697
30	V	A	0.6769
31	L	A	-0.0224
32	Y	A	0.0000
33	V	A	0.0000
34	I	A	0.0000
35	T	A	-0.5077
36	Y	A	0.0000
37	G	A	0.0000
38	E	A	-1.7951
39	T	A	-1.5154
40	G	A	-1.3560
41	G	A	-1.5161
42	N	A	-1.5550
43	S	A	-0.8832
44	P	A	-0.3523
45	V	A	0.3871
46	Q	A	-0.9010
47	E	A	-1.5915
48	F	A	-0.6079
49	T	A	-0.2164
50	V	A	0.0000
51	P	A	-0.5531
52	G	A	-0.2996
53	S	A	-0.8682
54	K	A	-1.7459
55	S	A	-1.1675
56	T	A	-0.6333
57	A	A	0.0000
58	T	A	0.2325
59	I	A	0.0000
60	S	A	-0.6592
61	G	A	-1.0286
62	L	A	0.0000
63	K	A	-2.4594
64	P	A	-1.7520
65	G	A	-1.5992
66	V	A	-1.7299
67	D	A	-2.8136
68	Y	A	0.0000
69	T	A	-0.9858
70	I	A	0.0000
71	T	A	-0.1433
72	V	A	0.0000
73	Y	A	-0.2652
74	A	A	0.0000
75	Q	A	-0.4124
76	Y	A	-0.2210
77	E	A	-1.0412
78	S	A	-0.4636
79	G	A	-0.4373
80	T	A	0.1218
81	W	A	0.8641
82	L	A	0.6635
83	Y	A	0.0918
84	R	A	-1.3845
85	G	A	0.0000
86	S	A	-0.4247
87	P	A	-0.4013
88	I	A	-0.1147
89	S	A	-0.3514
90	I	A	-0.7347
91	N	A	-1.9060
92	Y	A	-1.6682
93	R	A	-2.8266
94	T	A	-1.7924