Project name: query_structure

Chain sequence(s)	A: LPAPKNLVVSRVTEDSARLSWTAPDAAFDSFAIFYHEFANPGEAIDLPVPGSERSYDLTGLKPGTEYDVRIYGVKGGTASIPLDAEFTT
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:56)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:57)

• Minimal score value: -2.9154
• Maximal score value: 2.0335
• Average score: -0.8987
• Total score value: -79.9802

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	1.1330
2	P	A	0.3624
3	A	A	0.3607
4	P	A	0.0000
5	K	A	-2.0136
6	N	A	-1.5315
7	L	A	-0.5335
8	V	A	0.6484
9	V	A	0.0890
10	S	A	-0.5677
11	R	A	-1.7876
12	V	A	-0.9191
13	T	A	-1.6985
14	E	A	-2.7762
15	D	A	-2.5416
16	S	A	-1.9521
17	A	A	0.0000
18	R	A	-1.1400
19	L	A	0.0000
20	S	A	-0.3635
21	W	A	0.0000
22	T	A	-1.2837
23	A	A	-1.4333
24	P	A	-1.3661
25	D	A	-2.2817
26	A	A	-1.4791
27	A	A	-1.1209
28	F	A	0.0000
29	D	A	-2.6025
30	S	A	-1.5093
31	F	A	0.0000
32	A	A	-0.2216
33	I	A	0.0000
34	F	A	-0.1208
35	Y	A	-0.5127
36	H	A	-1.0201
37	E	A	0.0000
38	F	A	0.0272
39	A	A	-0.4161
40	N	A	-1.6431
41	P	A	-1.1741
42	G	A	-1.6019
43	E	A	-2.3132
44	A	A	-1.0454
45	I	A	-0.3976
46	D	A	-1.3333
47	L	A	-0.2793
48	P	A	-0.4134
49	V	A	0.0000
50	P	A	-1.1762
51	G	A	-1.8291
52	S	A	-1.6433
53	E	A	-1.5881
54	R	A	-1.1813
55	S	A	-0.6633
56	Y	A	-0.7343
57	D	A	-1.6344
58	L	A	0.0000
59	T	A	-1.3704
60	G	A	-1.4388
61	L	A	0.0000
62	K	A	-2.9154
63	P	A	-2.5616
64	G	A	-1.8406
65	T	A	-1.5462
66	E	A	-1.6400
67	Y	A	0.0000
68	D	A	-1.4215
69	V	A	0.0000
70	R	A	-1.3133
71	I	A	0.0000
72	Y	A	0.4223
73	G	A	0.0000
74	V	A	-0.6397
75	K	A	-1.8848
76	G	A	-1.6031
77	G	A	-1.2654
78	T	A	-0.7033
79	A	A	0.3765
80	S	A	0.0000
81	I	A	2.0335
82	P	A	0.3958
83	L	A	-0.6386
84	D	A	-1.9965
85	A	A	-1.7234
86	E	A	-2.2589
87	F	A	0.0000
88	T	A	-1.3636
89	T	A	-1.8598