Project name: query_structure

Chain sequence(s)	A: LPAPKNLVVSRVTEDSARLSWDIDEQRDWFDSFLIQYQESEKVGEAIVLTVPGSERSYDLTGLKPGTEYTVSIYGVYHVYRSNPLSAIFTT
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                                          (00:01:23)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:23)

• Minimal score value: -4.2294
• Maximal score value: 1.8646
• Average score: -0.8923
• Total score value: -81.2035

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	0.3929
2	P	A	-0.9284
3	A	A	-1.3075
4	P	A	0.0000
5	K	A	-2.3869
6	N	A	-2.0012
7	L	A	-0.5790
8	V	A	0.5146
9	V	A	0.3981
10	S	A	-0.7483
11	R	A	-2.0194
12	V	A	-1.0403
13	T	A	-1.7976
14	E	A	-3.0439
15	D	A	-2.7264
16	S	A	-2.1035
17	A	A	0.0000
18	R	A	-1.2973
19	L	A	0.0000
20	S	A	-0.7015
21	W	A	0.0000
22	D	A	-2.6180
23	I	A	-3.0639
24	D	A	-3.9485
25	E	A	-4.2294
26	Q	A	-3.5715
27	R	A	-3.8049
28	D	A	-3.2655
29	W	A	-1.6019
30	F	A	0.0000
31	D	A	-1.9450
32	S	A	-1.4126
33	F	A	0.0000
34	L	A	0.3879
35	I	A	0.0000
36	Q	A	0.5388
37	Y	A	0.4136
38	Q	A	-0.8029
39	E	A	-1.8264
40	S	A	-1.4442
41	E	A	-2.6744
42	K	A	-2.3722
43	V	A	-0.1574
44	G	A	-1.2563
45	E	A	-1.6141
46	A	A	-0.3481
47	I	A	0.8212
48	V	A	1.8646
49	L	A	1.3109
50	T	A	0.4783
51	V	A	0.0000
52	P	A	-0.9880
53	G	A	0.0000
54	S	A	-1.2708
55	E	A	-1.2131
56	R	A	-0.9882
57	S	A	-0.7170
58	Y	A	-0.6234
59	D	A	-1.7318
60	L	A	0.0000
61	T	A	-1.3781
62	G	A	-1.5017
63	L	A	0.0000
64	K	A	-2.9816
65	P	A	-2.5254
66	G	A	-1.8015
67	T	A	-2.3121
68	E	A	-1.7891
69	Y	A	0.0000
70	T	A	0.0816
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	-0.3079
77	Y	A	-0.1983
78	H	A	-0.2173
79	V	A	1.4503
80	Y	A	1.2726
81	R	A	-0.9435
82	S	A	0.0000
83	N	A	-1.5859
84	P	A	-1.1167
85	L	A	-0.6278
86	S	A	0.0348
87	A	A	1.0862
88	I	A	1.7996
89	F	A	0.0000
90	T	A	-0.7243
91	T	A	-1.8676