Project name: query_structure

Chain sequence(s)	A: LPAPKNLWSRVTEDSARLSWTAPDAAFDSFWITYPEWPDPGGEAIVLTVPGSCRSYDLTGLKPGTEYFVVIYGVKGGEIYSPLSAIFTT
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.                                          (00:00:36)

• Minimal score value: -2.996
• Maximal score value: 2.4366
• Average score: -0.5966
• Total score value: -53.1015

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	1.4343
2	P	A	0.2137
3	A	A	-0.1512
4	P	A	0.0000
5	K	A	-1.4723
6	N	A	-0.3033
7	L	A	0.7057
8	W	A	0.1909
9	S	A	-0.7202
10	R	A	-1.8731
11	V	A	-1.2098
12	T	A	-1.6366
13	E	A	-2.8127
14	D	A	-2.7511
15	S	A	-2.2154
16	A	A	0.0000
17	R	A	-2.0243
18	L	A	0.0000
19	S	A	-0.6442
20	W	A	0.0000
21	T	A	-0.8173
22	A	A	-0.6991
23	P	A	-0.8892
24	D	A	-2.0870
25	A	A	-1.4587
26	A	A	-0.9730
27	F	A	0.0000
28	D	A	-2.8221
29	S	A	-1.0887
30	F	A	0.0000
31	W	A	1.4601
32	I	A	0.0000
33	T	A	1.2295
34	Y	A	0.8300
35	P	A	-0.2749
36	E	A	-1.3574
37	W	A	-0.3838
38	P	A	-1.0758
39	D	A	-2.2148
40	P	A	-1.6588
41	G	A	-1.7107
42	G	A	-1.5718
43	E	A	-1.5184
44	A	A	0.0494
45	I	A	1.6154
46	V	A	2.4366
47	L	A	1.6988
48	T	A	0.6886
49	V	A	0.0000
50	P	A	-0.7218
51	G	A	0.0000
52	S	A	-1.0286
53	C	A	-0.5597
54	R	A	-0.6250
55	S	A	-0.5674
56	Y	A	-0.8635
57	D	A	-2.1254
58	L	A	0.0000
59	T	A	-1.5582
60	G	A	-1.4844
61	L	A	0.0000
62	K	A	-2.9960
63	P	A	-2.5505
64	G	A	-1.8357
65	T	A	-1.7944
66	E	A	-1.1969
67	Y	A	0.0000
68	F	A	0.8717
69	V	A	0.0000
70	V	A	0.8219
71	I	A	0.0000
72	Y	A	0.5176
73	G	A	0.0000
74	V	A	0.0000
75	K	A	-2.4028
76	G	A	-2.0486
77	G	A	-1.9317
78	E	A	-2.1481
79	I	A	-0.0667
80	Y	A	0.3463
81	S	A	0.3795
82	P	A	0.2057
83	L	A	-0.2469
84	S	A	0.1830
85	A	A	1.0972
86	I	A	1.7319
87	F	A	0.0000
88	T	A	-0.7057
89	T	A	-1.9356