Project name: query_structure

Chain sequence(s)	A: LPAPKNLVVSRITEDSARLSWKWEEGFFDSFLIQYQESEKVGEAIVLTVPGSERSYDLTGLKPGTEYTVSIYGVYQRHASAFVSNPLSAIFTT
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                                          (00:01:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:06)

• Minimal score value: -3.1489
• Maximal score value: 1.9448
• Average score: -0.7351
• Total score value: -68.3646

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	1.1285
2	P	A	-0.0782
3	A	A	-0.6377
4	P	A	0.0000
5	K	A	-2.0628
6	N	A	-1.6473
7	L	A	-0.3116
8	V	A	1.1143
9	V	A	0.7147
10	S	A	-0.5286
11	R	A	-1.7193
12	I	A	-0.7518
13	T	A	-1.5957
14	E	A	-2.6777
15	D	A	-2.4612
16	S	A	-1.8877
17	A	A	0.0000
18	R	A	-1.1598
19	L	A	0.0000
20	S	A	-0.6367
21	W	A	0.0000
22	K	A	-2.9084
23	W	A	-2.5347
24	E	A	-2.7554
25	E	A	-3.1489
26	G	A	-1.6686
27	F	A	-0.6348
28	F	A	0.0000
29	D	A	-2.2761
30	S	A	-0.9798
31	F	A	0.0000
32	L	A	0.8797
33	I	A	0.0000
34	Q	A	0.6727
35	Y	A	0.4005
36	Q	A	-0.8041
37	E	A	-1.7746
38	S	A	-1.5334
39	E	A	-2.3735
40	K	A	-1.8637
41	V	A	0.0398
42	G	A	-0.9092
43	E	A	-1.5340
44	A	A	-0.2559
45	I	A	0.9870
46	V	A	1.7994
47	L	A	1.3069
48	T	A	0.4713
49	V	A	0.0000
50	P	A	-1.1269
51	G	A	-1.7164
52	S	A	-1.7904
53	E	A	-1.7810
54	R	A	-1.5404
55	S	A	-0.8727
56	Y	A	-0.7477
57	D	A	-1.6348
58	L	A	0.0000
59	T	A	-1.3825
60	G	A	-1.4283
61	L	A	0.0000
62	K	A	-2.9256
63	P	A	-2.4556
64	G	A	-1.8204
65	T	A	-2.2252
66	E	A	-1.9887
67	Y	A	0.0000
68	T	A	-0.0033
69	V	A	0.0000
70	S	A	0.2377
71	I	A	0.0000
72	Y	A	0.5349
73	G	A	0.0000
74	V	A	0.3986
75	Y	A	-0.3147
76	Q	A	-2.0055
77	R	A	-2.7820
78	H	A	-2.1037
79	A	A	-1.1544
80	S	A	-0.9665
81	A	A	-0.3058
82	F	A	1.3215
83	V	A	1.9448
84	S	A	0.0000
85	N	A	-0.7586
86	P	A	-0.4372
87	L	A	-0.5029
88	S	A	0.1625
89	A	A	1.1952
90	I	A	1.7966
91	F	A	0.0000
92	T	A	-0.7906
93	T	A	-1.7982