Project name: query_structure

Chain sequence(s)	A: LPAPKNLVVSRVTEDSARLSWDIDEQRDWFDSFLIQYQESEKVGEAIVLTVPGSERSYDLTGLKPGIEYTVSIYGVYHVYRSSNPLSAIFTT
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.                                          (00:01:04)

• Minimal score value: -3.6733
• Maximal score value: 1.7425
• Average score: -0.7969
• Total score value: -73.313

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	1.0740
2	P	A	-0.1567
3	A	A	-0.7594
4	P	A	0.0000
5	K	A	-2.2757
6	N	A	-1.8986
7	L	A	-0.5319
8	V	A	0.5525
9	V	A	0.4060
10	S	A	-0.7464
11	R	A	-2.0136
12	V	A	-1.0149
13	T	A	-1.7823
14	E	A	-2.9989
15	D	A	-2.6977
16	S	A	-2.1056
17	A	A	0.0000
18	R	A	-1.2970
19	L	A	0.0000
20	S	A	-0.7308
21	W	A	0.0000
22	D	A	-2.3679
23	I	A	-2.7005
24	D	A	-3.4111
25	E	A	-3.3937
26	Q	A	-3.3482
27	R	A	-3.6733
28	D	A	-3.4747
29	W	A	-1.5256
30	F	A	0.0000
31	D	A	-1.7966
32	S	A	-0.9598
33	F	A	0.0000
34	L	A	0.7406
35	I	A	0.0000
36	Q	A	0.4630
37	Y	A	0.3391
38	Q	A	-0.8157
39	E	A	-1.7031
40	S	A	-1.4571
41	E	A	-2.2988
42	K	A	-1.7845
43	V	A	0.1052
44	G	A	-0.9287
45	E	A	-1.6005
46	A	A	-0.3505
47	I	A	0.7849
48	V	A	1.5964
49	L	A	1.1936
50	T	A	0.4702
51	V	A	0.0000
52	P	A	-1.1086
53	G	A	0.0000
54	S	A	-1.5953
55	E	A	-1.7009
56	R	A	-1.2636
57	S	A	-0.8960
58	Y	A	-0.7714
59	D	A	-1.7725
60	L	A	0.0000
61	T	A	-1.4759
62	G	A	-1.4966
63	L	A	0.0000
64	K	A	-2.9215
65	P	A	-2.4355
66	G	A	-1.6717
67	I	A	-1.8921
68	E	A	-1.7655
69	Y	A	0.0000
70	T	A	0.0007
71	V	A	0.0000
72	S	A	0.2540
73	I	A	0.0000
74	Y	A	0.0104
75	G	A	0.0000
76	V	A	0.0990
77	Y	A	-0.0200
78	H	A	-0.0704
79	V	A	1.5379
80	Y	A	1.1812
81	R	A	-0.4963
82	S	A	-0.2557
83	S	A	0.0000
84	N	A	-0.9669
85	P	A	-0.7346
86	L	A	-0.5667
87	S	A	0.0593
88	A	A	1.0869
89	I	A	1.7425
90	F	A	0.0000
91	T	A	-0.7092
92	T	A	-1.8237