Project name: query_structure

Chain sequence(s)	A: LPAPKNLVVSRVTEDSARLSWTAPDAAFDSFAIEYFEDWWSGEAIVLTVPGSERSCDLTGLKPGTEYSVTIRGVKGGYPSSPLSAIFTT
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                                          (00:00:40)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:40)

• Minimal score value: -3.1253
• Maximal score value: 2.1213
• Average score: -0.5753
• Total score value: -51.2048

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	0.2597
2	P	A	-0.4256
3	A	A	-0.7068
4	P	A	0.0000
5	K	A	-2.0657
6	N	A	-1.4105
7	L	A	-0.1405
8	V	A	1.1925
9	V	A	0.6442
10	S	A	-0.6033
11	R	A	-2.0072
12	V	A	-1.0693
13	T	A	-1.8368
14	E	A	-3.1253
15	D	A	-2.8762
16	S	A	-2.1334
17	A	A	0.0000
18	R	A	-1.2864
19	L	A	0.0000
20	S	A	-0.4420
21	W	A	0.0000
22	T	A	-1.3040
23	A	A	-1.4233
24	P	A	-1.4044
25	D	A	-2.2826
26	A	A	-1.4818
27	A	A	-1.2108
28	F	A	0.0000
29	D	A	-2.4709
30	S	A	-1.6094
31	F	A	0.0000
32	A	A	0.1132
33	I	A	0.0000
34	E	A	0.4456
35	Y	A	0.0000
36	F	A	0.5304
37	E	A	-0.4277
38	D	A	-0.6255
39	W	A	0.7784
40	W	A	0.7538
41	S	A	-0.2244
42	G	A	-0.6924
43	E	A	-1.2380
44	A	A	0.3063
45	I	A	1.6172
46	V	A	2.1213
47	L	A	1.1876
48	T	A	0.3391
49	V	A	0.0000
50	P	A	-1.1730
51	G	A	0.0000
52	S	A	-1.6681
53	E	A	-1.7140
54	R	A	-1.2755
55	S	A	-0.8577
56	C	A	-1.0533
57	D	A	-1.7219
58	L	A	0.0000
59	T	A	-1.4047
60	G	A	-1.5444
61	L	A	0.0000
62	K	A	-2.9919
63	P	A	-2.4472
64	G	A	-1.6838
65	T	A	0.0000
66	E	A	-0.6178
67	Y	A	0.0000
68	S	A	0.3221
69	V	A	0.0000
70	T	A	0.1963
71	I	A	0.0000
72	R	A	-0.6349
73	G	A	0.0000
74	V	A	-0.8152
75	K	A	-1.6536
76	G	A	-1.2163
77	G	A	-0.6496
78	Y	A	0.3825
79	P	A	-0.1431
80	S	A	0.0000
81	S	A	-0.1886
82	P	A	-0.6066
83	L	A	-0.5150
84	S	A	0.0721
85	A	A	1.2051
86	I	A	1.8359
87	F	A	0.0000
88	T	A	-0.6569
89	T	A	-1.7508