Project name: query_structure

Chain sequence(s)	A: LPAPKNLVVSRVTEDSARLSVVTAPDAAFDSFWIRYDEVAVVGGEAIVLTVPGSERSYDLTGLKPGTEYYVNILGVKGGSISVPLSAIFTT
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                                          (00:00:41)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:42)

• Minimal score value: -3.032
• Maximal score value: 2.2026
• Average score: -0.452
• Total score value: -41.1308

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	1.0378
2	P	A	0.3551
3	A	A	0.3847
4	P	A	0.0000
5	K	A	-1.9601
6	N	A	-1.2353
7	L	A	-0.2892
8	V	A	0.9736
9	V	A	0.3554
10	S	A	-0.7958
11	R	A	-1.8598
12	V	A	-1.0546
13	T	A	-1.7930
14	E	A	-2.8944
15	D	A	-2.8028
16	S	A	-2.1755
17	A	A	0.0000
18	R	A	-1.5285
19	L	A	0.0000
20	S	A	-0.7776
21	V	A	0.0000
22	V	A	-0.7114
23	T	A	-1.2170
24	A	A	-1.1354
25	P	A	-1.0403
26	D	A	-1.8833
27	A	A	-1.3114
28	A	A	-1.1619
29	F	A	0.0000
30	D	A	-2.3152
31	S	A	-1.1245
32	F	A	0.0000
33	W	A	0.8581
34	I	A	0.0000
35	R	A	-0.1263
36	Y	A	0.0000
37	D	A	0.0097
38	E	A	0.3008
39	V	A	1.7397
40	A	A	1.4226
41	V	A	2.0970
42	V	A	2.2026
43	G	A	0.3779
44	G	A	0.0254
45	E	A	-1.3176
46	A	A	-0.6298
47	I	A	0.5920
48	V	A	1.2594
49	L	A	1.0975
50	T	A	0.5576
51	V	A	-0.3489
52	P	A	-1.1978
53	G	A	-1.7213
54	S	A	-1.7046
55	E	A	-2.3874
56	R	A	-2.3830
57	S	A	-1.6672
58	Y	A	0.0000
59	D	A	-2.1961
60	L	A	0.0000
61	T	A	-1.5895
62	G	A	-1.5157
63	L	A	0.0000
64	K	A	-3.0320
65	P	A	-2.5602
66	G	A	-1.8313
67	T	A	-1.5560
68	E	A	-0.6341
69	Y	A	0.0000
70	Y	A	0.8311
71	V	A	0.0000
72	N	A	0.1875
73	I	A	0.0000
74	L	A	0.8428
75	G	A	0.0000
76	V	A	-0.2818
77	K	A	-1.4941
78	G	A	-1.3628
79	G	A	-1.0081
80	S	A	-0.3200
81	I	A	1.1537
82	S	A	0.0000
83	V	A	2.0416
84	P	A	0.8221
85	L	A	0.0770
86	S	A	0.4198
87	A	A	1.1903
88	I	A	2.0965
89	F	A	0.0000
90	T	A	-0.5895
91	T	A	-1.9180