Project name: query_structure

Chain sequence(s)	A: VSDVPRDLEVVAATPTSLLISWDAPAVTVRYYRITYGETGGNSPVQEFTVPGSKSTATISGLKPGVDYTITVYAVTGRVLHSLLSKPISINYRT
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                                          (00:00:36)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:37)

• Minimal score value: -3.4506
• Maximal score value: 1.6233
• Average score: -0.6622
• Total score value: -62.2444

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	1.6233
2	S	A	0.0512
3	D	A	-0.3035
4	V	A	-1.0527
5	P	A	0.0000
6	R	A	-3.3280
7	D	A	-3.4506
8	L	A	-2.2040
9	E	A	-2.0707
10	V	A	0.1084
11	V	A	1.5412
12	A	A	0.8825
13	A	A	0.2931
14	T	A	-0.5396
15	P	A	-1.1430
16	T	A	-1.0045
17	S	A	-0.5381
18	L	A	0.0000
19	L	A	0.7158
20	I	A	0.0000
21	S	A	-1.1174
22	W	A	0.0000
23	D	A	-3.2882
24	A	A	-1.6987
25	P	A	0.0000
26	A	A	0.1303
27	V	A	0.3519
28	T	A	-0.5053
29	V	A	-0.8339
30	R	A	-1.9322
31	Y	A	-0.9098
32	Y	A	0.0000
33	R	A	-0.7864
34	I	A	0.0000
35	T	A	-0.6931
36	Y	A	-0.4255
37	G	A	0.0000
38	E	A	-1.5429
39	T	A	-1.2196
40	G	A	-1.2260
41	G	A	-1.3505
42	N	A	-1.5367
43	S	A	-0.8950
44	P	A	-0.4164
45	V	A	0.2635
46	Q	A	-1.1973
47	E	A	-1.8584
48	F	A	-0.8161
49	T	A	-0.3396
50	V	A	0.0000
51	P	A	-1.1320
52	G	A	-1.3389
53	S	A	-1.3612
54	K	A	-2.2123
55	S	A	-1.3977
56	T	A	-0.7726
57	A	A	0.0000
58	T	A	0.2288
59	I	A	0.0000
60	S	A	-0.6607
61	G	A	-1.0311
62	L	A	0.0000
63	K	A	-2.3643
64	P	A	-1.6630
65	G	A	-1.4333
66	V	A	-1.4089
67	D	A	-2.0521
68	Y	A	0.0000
69	T	A	-0.7614
70	I	A	0.0000
71	T	A	-0.2712
72	V	A	0.0000
73	Y	A	-0.0526
74	A	A	0.0000
75	V	A	0.0000
76	T	A	-0.2148
77	G	A	-0.4589
78	R	A	-1.0287
79	V	A	1.1065
80	L	A	1.3574
81	H	A	-0.0466
82	S	A	0.1407
83	L	A	0.8550
84	L	A	0.8902
85	S	A	0.0000
86	K	A	-1.4303
87	P	A	-0.9773
88	I	A	0.0000
89	S	A	-0.6341
90	I	A	-0.5757
91	N	A	-1.7106
92	Y	A	-1.4356
93	R	A	-2.5059
94	T	A	-1.6287