Project name: query_structure

Chain sequence(s)	A: LPAPKNLVVSRVTEDSARLSWDIDEQRDWFDSFLIQYQESEKVGEAIVLTVPGSERSYDLTGLKPGIEYTVSIYGVYHVYRSNPLSAIFTT
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                                          (00:01:03)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:03)

• Minimal score value: -4.2557
• Maximal score value: 2.0208
• Average score: -0.8646
• Total score value: -78.6794

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	0.4250
2	P	A	-0.9077
3	A	A	-1.2462
4	P	A	0.0000
5	K	A	-2.2425
6	N	A	-1.8706
7	L	A	-0.4915
8	V	A	0.5815
9	V	A	0.4138
10	S	A	-0.7387
11	R	A	-2.0019
12	V	A	-0.9963
13	T	A	-1.7664
14	E	A	-2.9740
15	D	A	-2.6483
16	S	A	-2.0517
17	A	A	0.0000
18	R	A	-1.2796
19	L	A	0.0000
20	S	A	-0.6937
21	W	A	0.0000
22	D	A	-2.2878
23	I	A	-2.9545
24	D	A	-3.8469
25	E	A	-4.2557
26	Q	A	-3.6642
27	R	A	-3.9830
28	D	A	-3.6960
29	W	A	-1.9233
30	F	A	0.0000
31	D	A	-2.0105
32	S	A	-1.5137
33	F	A	0.0000
34	L	A	0.4452
35	I	A	0.0000
36	Q	A	0.8277
37	Y	A	0.5056
38	Q	A	-0.6750
39	E	A	-1.6680
40	S	A	-1.4586
41	E	A	-2.3281
42	K	A	-1.8787
43	V	A	0.0295
44	G	A	-0.9186
45	E	A	-1.5083
46	A	A	-0.1820
47	I	A	1.0788
48	V	A	2.0208
49	L	A	1.3598
50	T	A	0.4891
51	V	A	0.0000
52	P	A	-1.1318
53	G	A	0.0000
54	S	A	-1.6076
55	E	A	-1.7127
56	R	A	-1.1800
57	S	A	-0.8437
58	Y	A	-0.7103
59	D	A	-1.6511
60	L	A	0.0000
61	T	A	-1.4296
62	G	A	-1.4837
63	L	A	0.0000
64	K	A	-2.9063
65	P	A	-2.4194
66	G	A	-1.6944
67	I	A	-1.9301
68	E	A	-1.8133
69	Y	A	0.0000
70	T	A	0.0403
71	V	A	0.0000
72	S	A	0.0000
73	I	A	0.0000
74	Y	A	0.0000
75	G	A	0.0000
76	V	A	-0.2744
77	Y	A	-0.2221
78	H	A	-0.2066
79	V	A	1.4464
80	Y	A	1.2774
81	R	A	-0.9218
82	S	A	0.0000
83	N	A	-1.5534
84	P	A	-1.0491
85	L	A	-0.6001
86	S	A	0.0679
87	A	A	1.1052
88	I	A	1.7548
89	F	A	0.0000
90	T	A	-0.7267
91	T	A	-1.8180