Project name: query_structure

Chain sequence(s)	A: LPAPKNLVVSRVTEDSARLSWTAPDAAFDSFAIAYPEWPPQGEAIVLTVPGSCRSYDLTGLKPGTEYFVVIYGVKGGSYSAPLSAIFTT
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                                          (00:00:37)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:38)

• Minimal score value: -2.9391
• Maximal score value: 2.3847
• Average score: -0.4505
• Total score value: -40.0955

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	1.3445
2	P	A	0.3099
3	A	A	0.0865
4	P	A	0.0000
5	K	A	-1.9871
6	N	A	-1.4817
7	L	A	-0.1230
8	V	A	1.3021
9	V	A	0.7275
10	S	A	-0.5837
11	R	A	-2.0182
12	V	A	-0.9845
13	T	A	-1.7133
14	E	A	-2.9391
15	D	A	-2.5762
16	S	A	-2.0447
17	A	A	0.0000
18	R	A	-1.2328
19	L	A	0.0000
20	S	A	-0.2143
21	W	A	0.0000
22	T	A	-1.1373
23	A	A	-1.2767
24	P	A	-1.3923
25	D	A	-2.1421
26	A	A	-1.4113
27	A	A	-1.0038
28	F	A	0.0000
29	D	A	-2.4737
30	S	A	-1.0575
31	F	A	0.0000
32	A	A	0.0000
33	I	A	0.0000
34	A	A	1.4496
35	Y	A	1.1321
36	P	A	0.1720
37	E	A	-0.7585
38	W	A	0.2097
39	P	A	-0.4539
40	P	A	-1.2654
41	Q	A	-1.8919
42	G	A	-1.8097
43	E	A	-1.7449
44	A	A	-0.0063
45	I	A	1.7966
46	V	A	2.3847
47	L	A	1.4028
48	T	A	0.4102
49	V	A	0.0000
50	P	A	-0.7752
51	G	A	0.0000
52	S	A	-1.0619
53	C	A	-0.3929
54	R	A	-0.6333
55	S	A	-0.3408
56	Y	A	-0.6388
57	D	A	-1.9437
58	L	A	0.0000
59	T	A	-1.4599
60	G	A	-1.4443
61	L	A	0.0000
62	K	A	-2.8715
63	P	A	-2.4152
64	G	A	-1.7135
65	T	A	-1.5103
66	E	A	-0.5132
67	Y	A	0.0000
68	F	A	1.0941
69	V	A	0.0000
70	V	A	0.8806
71	I	A	0.0000
72	Y	A	0.7403
73	G	A	0.0000
74	V	A	-0.2421
75	K	A	-1.2056
76	G	A	-1.2655
77	G	A	-0.9024
78	S	A	0.0176
79	Y	A	1.2768
80	S	A	0.0000
81	A	A	0.6018
82	P	A	0.0065
83	L	A	-0.3324
84	S	A	0.4165
85	A	A	1.3801
86	I	A	2.2890
87	F	A	0.0000
88	T	A	-0.3999
89	T	A	-1.7407