Project name: query_structure

Chain sequence(s)	A: VSDVPRDLEVVAATPTSLLISWDAPAVTVRYYRITYGETGGNSPVQEFTVPGSKSTATISGLKPGVDYTITVYAVTGGLRQMLGSKPISINYRT
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                                          (00:00:40)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:40)

• Minimal score value: -3.3891
• Maximal score value: 1.6144
• Average score: -0.7285
• Total score value: -68.4824

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	1.6144
2	S	A	0.0411
3	D	A	-0.4783
4	V	A	-0.9636
5	P	A	0.0000
6	R	A	-3.1336
7	D	A	-3.3891
8	L	A	0.0000
9	E	A	-2.0987
10	V	A	0.1276
11	V	A	1.5622
12	A	A	0.9207
13	A	A	0.3386
14	T	A	-0.5229
15	P	A	-1.1236
16	T	A	-0.9990
17	S	A	-0.5196
18	L	A	0.0000
19	L	A	0.8026
20	I	A	0.0000
21	S	A	-1.1255
22	W	A	0.0000
23	D	A	-3.2227
24	A	A	-1.6681
25	P	A	0.0000
26	A	A	0.1457
27	V	A	0.2685
28	T	A	-0.4983
29	V	A	-1.0804
30	R	A	-1.8565
31	Y	A	-1.2407
32	Y	A	0.0000
33	R	A	-0.9868
34	I	A	0.0000
35	T	A	-0.6609
36	Y	A	-0.4177
37	G	A	0.0000
38	E	A	-1.5894
39	T	A	-1.2482
40	G	A	-1.2396
41	G	A	-1.4175
42	N	A	-1.5436
43	S	A	-0.8905
44	P	A	-0.4109
45	V	A	0.2700
46	Q	A	-1.1926
47	E	A	-1.8392
48	F	A	-0.7814
49	T	A	-0.3854
50	V	A	0.0000
51	P	A	-1.2516
52	G	A	-1.4770
53	S	A	-1.4200
54	K	A	-2.0801
55	S	A	-1.4475
56	T	A	-0.7755
57	A	A	0.0000
58	T	A	0.2588
59	I	A	0.0000
60	S	A	-0.6546
61	G	A	-1.0275
62	L	A	0.0000
63	K	A	-2.3716
64	P	A	-1.6634
65	G	A	-1.4467
66	V	A	-1.4092
67	D	A	-2.1009
68	Y	A	0.0000
69	T	A	-0.7703
70	I	A	0.0000
71	T	A	0.0000
72	V	A	0.0000
73	Y	A	-0.5017
74	A	A	0.0000
75	V	A	0.0000
76	T	A	-0.5101
77	G	A	-0.7568
78	G	A	-0.5530
79	L	A	0.2239
80	R	A	-1.4892
81	Q	A	-0.9933
82	M	A	0.4843
83	L	A	0.7238
84	G	A	-0.1489
85	S	A	-0.5926
86	K	A	-1.6807
87	P	A	-1.0918
88	I	A	-0.6318
89	S	A	-0.8477
90	I	A	-0.7328
91	N	A	-1.7197
92	Y	A	-1.4456
93	R	A	-2.5194
94	T	A	-1.6293