Project name: query_structure

Chain sequence(s)	A: LPAPKNLVVSRVTEDSARLSWHDATWQYFDSFLIQYQESEKVGEAIVLIVPGSERSYDLTGLKPGTEYTVSIYGVFHRKHIDFVSNPLSAIFTT
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                                          (00:00:51)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:51)

• Minimal score value: -3.0473
• Maximal score value: 2.4151
• Average score: -0.5072
• Total score value: -47.673

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	1.0834
2	P	A	-0.1627
3	A	A	-0.7564
4	P	A	0.0000
5	K	A	-2.1123
6	N	A	-1.6714
7	L	A	-0.3232
8	V	A	1.1361
9	V	A	0.7274
10	S	A	-0.5593
11	R	A	-1.9628
12	V	A	-0.9647
13	T	A	-1.7734
14	E	A	-3.0106
15	D	A	-2.6888
16	S	A	-1.9872
17	A	A	0.0000
18	R	A	-1.0901
19	L	A	0.0000
20	S	A	-0.4494
21	W	A	0.0000
22	H	A	-2.1820
23	D	A	-1.5675
24	A	A	0.0000
25	T	A	0.0680
26	W	A	1.1957
27	Q	A	0.7671
28	Y	A	1.0485
29	F	A	0.0000
30	D	A	-1.2498
31	S	A	-0.1036
32	F	A	0.0000
33	L	A	1.5281
34	I	A	0.0000
35	Q	A	0.9475
36	Y	A	0.4429
37	Q	A	-0.7008
38	E	A	-1.6150
39	S	A	-1.3718
40	E	A	-2.3140
41	K	A	-1.9258
42	V	A	-0.0226
43	G	A	-0.9000
44	E	A	-1.5043
45	A	A	-0.1635
46	I	A	1.2167
47	V	A	2.0838
48	L	A	2.1790
49	I	A	2.4151
50	V	A	0.0000
51	P	A	-0.4203
52	G	A	0.0000
53	S	A	-0.9096
54	E	A	-1.5900
55	R	A	-1.3275
56	S	A	-0.7052
57	Y	A	-0.5823
58	D	A	-1.3337
59	L	A	0.0000
60	T	A	-1.3461
61	G	A	-1.4847
62	L	A	0.0000
63	K	A	-2.9148
64	P	A	-2.4484
65	G	A	-1.7117
66	T	A	-1.9656
67	E	A	-1.3942
68	Y	A	0.0000
69	T	A	0.1141
70	V	A	0.0000
71	S	A	0.1972
72	I	A	0.0000
73	Y	A	0.7262
74	G	A	0.0000
75	V	A	0.0000
76	F	A	-0.3769
77	H	A	-2.1713
78	R	A	-3.0473
79	K	A	-2.8705
80	H	A	-1.8717
81	I	A	-0.2809
82	D	A	-1.2471
83	F	A	0.8454
84	V	A	1.6274
85	S	A	0.0000
86	N	A	-0.7312
87	P	A	-0.4343
88	L	A	-0.5798
89	S	A	0.1286
90	A	A	1.1952
91	I	A	1.9213
92	F	A	0.0000
93	T	A	-0.5921
94	T	A	-1.7975