Project name: query_structure

Chain sequence(s)	A: LPAPKNLVVSRVTEDSARLSWAWNRHDFDSFLIQYQESEKVGEAIVLTVPGSERSYDLTGLKPGTEYTVSIYGVHWTVLRPFIDSNPLSAIFTT
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                                          (00:00:55)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:56)

• Minimal score value: -3.4005
• Maximal score value: 2.4901
• Average score: -0.5473
• Total score value: -51.4476

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	1.3984
2	P	A	0.2625
3	A	A	-0.3615
4	P	A	-0.7289
5	K	A	-1.8055
6	N	A	-1.3553
7	L	A	0.0510
8	V	A	1.5596
9	V	A	0.9643
10	S	A	-0.5607
11	R	A	-2.0137
12	V	A	-1.0002
13	T	A	-1.7547
14	E	A	-2.9836
15	D	A	-2.6406
16	S	A	-2.0291
17	A	A	0.0000
18	R	A	-1.1616
19	L	A	0.0000
20	S	A	-0.0050
21	W	A	0.0000
22	A	A	-1.1464
23	W	A	-2.0263
24	N	A	-2.6984
25	R	A	-3.4005
26	H	A	-3.2286
27	D	A	-3.2320
28	F	A	-1.7388
29	D	A	-1.7657
30	S	A	-0.9680
31	F	A	0.0000
32	L	A	0.7119
33	I	A	0.0000
34	Q	A	0.4253
35	Y	A	0.3657
36	Q	A	-0.7812
37	E	A	-1.7426
38	S	A	-1.5256
39	E	A	-2.4149
40	K	A	-1.9472
41	V	A	0.0339
42	G	A	-0.9654
43	E	A	-1.6253
44	A	A	-0.3620
45	I	A	0.7504
46	V	A	1.4583
47	L	A	1.1166
48	T	A	0.3585
49	V	A	0.0000
50	P	A	-1.1099
51	G	A	-1.7650
52	S	A	-1.5826
53	E	A	-1.5361
54	R	A	-1.0874
55	S	A	-0.6957
56	Y	A	-0.7687
57	D	A	-1.6351
58	L	A	0.0000
59	T	A	-1.3221
60	G	A	-1.4711
61	L	A	0.0000
62	K	A	-2.9587
63	P	A	-2.5054
64	G	A	-1.8250
65	T	A	0.0000
66	E	A	-1.9133
67	Y	A	0.0000
68	T	A	0.0483
69	V	A	0.0000
70	S	A	0.1672
71	I	A	0.0000
72	Y	A	0.3314
73	G	A	0.0000
74	V	A	0.0000
75	H	A	0.1704
76	W	A	1.2816
77	T	A	1.5215
78	V	A	2.4901
79	L	A	2.0419
80	R	A	0.3624
81	P	A	0.9168
82	F	A	2.0953
83	I	A	1.7114
84	D	A	0.3509
85	S	A	-0.3729
86	N	A	-1.2675
87	P	A	-0.7477
88	L	A	0.0000
89	S	A	-0.0691
90	A	A	1.0307
91	I	A	1.8650
92	F	A	0.0000
93	T	A	-0.7932
94	T	A	-1.8931