Project name: query_structure

Chain sequence(s)	A: LPAPKNLVVSRVTEDSARLSWTAPDAAFDSFYILYWEFATAGEAIVLTVPGSERSYDLTGLKPGTEYMVLIRGVKGGTRSSPLSAIFTT
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                                          (00:00:45)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:45)

• Minimal score value: -3.0763
• Maximal score value: 2.4091
• Average score: -0.5983
• Total score value: -53.2484

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	L	A	0.4301
2	P	A	-0.2245
3	A	A	-0.7157
4	P	A	0.0000
5	K	A	-1.9569
6	N	A	-1.4814
7	L	A	-0.1555
8	V	A	1.1366
9	V	A	0.5896
10	S	A	-0.5951
11	R	A	-1.8161
12	V	A	-1.0505
13	T	A	-1.8644
14	E	A	-2.9701
15	D	A	-3.0285
16	S	A	-2.2128
17	A	A	0.0000
18	R	A	-1.2008
19	L	A	0.0000
20	S	A	-0.3775
21	W	A	0.0000
22	T	A	-1.2730
23	A	A	-1.3968
24	P	A	-1.3820
25	D	A	-2.2687
26	A	A	-1.4372
27	A	A	-1.0566
28	F	A	0.0000
29	D	A	-2.5961
30	S	A	-1.6450
31	F	A	0.0000
32	Y	A	0.4313
33	I	A	0.0000
34	L	A	1.3294
35	Y	A	1.2368
36	W	A	0.5036
37	E	A	-0.3051
38	F	A	1.4675
39	A	A	0.4707
40	T	A	-0.1429
41	A	A	-0.0952
42	G	A	-0.7500
43	E	A	-1.4448
44	A	A	0.3616
45	I	A	1.5642
46	V	A	2.4091
47	L	A	1.5430
48	T	A	0.4957
49	V	A	0.0000
50	P	A	-1.0779
51	G	A	0.0000
52	S	A	-1.6000
53	E	A	-1.6504
54	R	A	-1.1356
55	S	A	-0.6269
56	Y	A	-0.7090
57	D	A	-1.6617
58	L	A	0.0000
59	T	A	-1.5231
60	G	A	-1.5911
61	L	A	0.0000
62	K	A	-3.0763
63	P	A	-2.5451
64	G	A	-1.7973
65	T	A	-1.5620
66	E	A	-0.5782
67	Y	A	0.0000
68	M	A	1.1514
69	V	A	0.0000
70	L	A	0.7443
71	I	A	0.0000
72	R	A	-0.7536
73	G	A	0.0000
74	V	A	-1.7008
75	K	A	-2.0948
76	G	A	-1.7413
77	G	A	-1.6355
78	T	A	-1.5973
79	R	A	-2.0969
80	S	A	0.0000
81	S	A	-0.5234
82	P	A	-0.6601
83	L	A	-0.4474
84	S	A	0.2787
85	A	A	1.0912
86	I	A	1.8287
87	F	A	0.0000
88	T	A	-0.6015
89	T	A	-1.8815