Project name: query_structure

Chain sequence(s)	A: LPAPKNLVVSRVTEDSARLSWPLFASDLNIFDSFLIQYQESEKVGEAIVLTVPGSERSYDLTGLKPGTEYTVSIYGVGRHYTVYDSNPLSAIFTT
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                                          (00:00:57)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:57)

• Minimal score value: -3.0628
• Maximal score value: 1.8473
• Average score: -0.5556
• Total score value: -52.7776

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	1.3996
2	P	A	0.2676
3	A	A	-0.5064
4	P	A	-1.1437
5	K	A	-2.2262
6	N	A	-1.4788
7	L	A	0.0000
8	V	A	1.2540
9	V	A	0.7305
10	S	A	-0.5961
11	R	A	-1.9867
12	V	A	-0.9837
13	T	A	-1.7764
14	E	A	-3.0628
15	D	A	-2.7626
16	S	A	-2.0746
17	A	A	0.0000
18	R	A	-1.1155
19	L	A	0.0000
20	S	A	-0.0891
21	W	A	0.0000
22	P	A	0.3796
23	L	A	1.8213
24	F	A	1.4926
25	A	A	0.9289
26	S	A	0.5229
27	D	A	0.7191
28	L	A	1.3733
29	N	A	-0.6121
30	I	A	-0.2092
31	F	A	-0.6602
32	D	A	-2.2667
33	S	A	-0.9379
34	F	A	0.0000
35	L	A	0.6854
36	I	A	0.0000
37	Q	A	0.5071
38	Y	A	0.4534
39	Q	A	-0.8219
40	E	A	-1.8418
41	S	A	-1.5926
42	E	A	-2.4392
43	K	A	-1.9459
44	V	A	0.0267
45	G	A	-0.9380
46	E	A	-1.5502
47	A	A	-0.2067
48	I	A	1.1632
49	V	A	1.8179
50	L	A	1.2779
51	T	A	0.3742
52	V	A	0.0000
53	P	A	-1.1419
54	G	A	-1.1909
55	S	A	-1.2181
56	E	A	-1.4104
57	R	A	-0.8234
58	S	A	-0.6650
59	Y	A	-0.6989
60	D	A	-1.5648
61	L	A	0.0000
62	T	A	-1.3482
63	G	A	-1.5146
64	L	A	0.0000
65	K	A	-3.0486
66	P	A	-2.5977
67	G	A	-1.8659
68	T	A	-2.2975
69	E	A	-1.9679
70	Y	A	0.0000
71	T	A	-0.0020
72	V	A	0.0000
73	S	A	-0.0100
74	I	A	0.0000
75	Y	A	-0.2315
76	G	A	0.0000
77	V	A	0.0000
78	G	A	0.0000
79	R	A	-2.2795
80	H	A	-1.3492
81	Y	A	0.2474
82	T	A	0.0372
83	V	A	0.5405
84	Y	A	0.0099
85	D	A	-1.8011
86	S	A	-1.4205
87	N	A	-2.0438
88	P	A	-1.3809
89	L	A	-0.9746
90	S	A	-0.0949
91	A	A	0.9494
92	I	A	1.8473
93	F	A	0.0000
94	T	A	-0.8644
95	T	A	-1.9733