Project name: query_structure

Chain sequence(s)	A: LPAPKNLWSRVTEDSARLSWTAPDAAFDSFWIRYFEFLGSGEAIVLTVPGSERSYDLTGLKPGTEYWQIIGVKGGHISLPLSAIFTT
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                                          (00:00:44)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:44)

• Minimal score value: -2.7708
• Maximal score value: 2.8104
• Average score: -0.3514
• Total score value: -30.5678

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	1.2951
2	P	A	0.5437
3	A	A	0.6174
4	P	A	0.0000
5	K	A	-1.8578
6	N	A	-1.5346
7	L	A	-0.3997
8	W	A	-0.0001
9	S	A	0.0000
10	R	A	-2.0068
11	V	A	-1.3890
12	T	A	-1.6556
13	E	A	-2.7708
14	D	A	-2.7499
15	S	A	-2.3231
16	A	A	0.0000
17	R	A	-2.2645
18	L	A	0.0000
19	S	A	-0.9691
20	W	A	0.0000
21	T	A	-1.2526
22	A	A	-1.3447
23	P	A	-1.3187
24	D	A	-2.2640
25	A	A	-1.4432
26	A	A	-1.0791
27	F	A	0.0000
28	D	A	-2.6946
29	S	A	-1.1111
30	F	A	0.0000
31	W	A	0.7483
32	I	A	0.0000
33	R	A	0.1691
34	Y	A	0.9423
35	F	A	1.3230
36	E	A	0.3272
37	F	A	2.1880
38	L	A	1.7905
39	G	A	0.4325
40	S	A	-0.1896
41	G	A	-0.5455
42	E	A	-1.7234
43	A	A	-0.3204
44	I	A	0.4688
45	V	A	0.9800
46	L	A	0.8746
47	T	A	0.3178
48	V	A	0.0000
49	P	A	-1.0670
50	G	A	0.0000
51	S	A	-1.5933
52	E	A	-1.6518
53	R	A	-1.0877
54	S	A	-0.8834
55	Y	A	-1.0424
56	D	A	-2.1384
57	L	A	0.0000
58	T	A	-1.5516
59	G	A	-1.5237
60	L	A	0.0000
61	K	A	-2.3220
62	P	A	-1.6443
63	G	A	-0.1755
64	T	A	1.2315
65	E	A	0.0000
66	Y	A	2.2952
67	W	A	0.0000
68	Q	A	0.4626
69	I	A	0.0000
70	I	A	0.0000
71	G	A	0.0000
72	V	A	-0.2655
73	K	A	-1.5729
74	G	A	-1.5123
75	G	A	-1.2414
76	H	A	-0.7797
77	I	A	1.4744
78	S	A	0.0000
79	L	A	2.0642
80	P	A	0.7080
81	L	A	-0.1213
82	S	A	0.4279
83	A	A	1.5733
84	I	A	2.8104
85	F	A	1.7986
86	T	A	0.5322
87	T	A	-1.5823