Project name: query_structure

Chain sequence(s)	A: LQLREPSFPDVQHSVLIHKVILGSPAHRAGLWPGDVILAIGEQMVQNAEDVYEAVRTQSQLAVQIRRGRETLTLYVTPEVTE
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                                          (00:00:48)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:48)

• Minimal score value: -3.5811
• Maximal score value: 2.1737
• Average score: -0.7564
• Total score value: -62.0272

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	1.1408
2	Q	A	-0.4007
3	L	A	-0.1420
4	R	A	-1.9494
5	E	A	-2.2260
6	P	A	-0.9601
7	S	A	-0.4816
8	F	A	0.9305
9	P	A	-0.0889
10	D	A	-1.1203
11	V	A	0.1754
12	Q	A	-1.3137
13	H	A	-0.9861
14	S	A	-0.3536
15	V	A	0.0406
16	L	A	0.5542
17	I	A	0.0000
18	H	A	-1.4780
19	K	A	-1.2904
20	V	A	0.3188
21	I	A	2.1737
22	L	A	1.8889
23	G	A	0.5735
24	S	A	0.1508
25	P	A	-0.4447
26	A	A	0.0211
27	H	A	-0.2994
28	R	A	-1.3860
29	A	A	-0.6121
30	G	A	-0.4119
31	L	A	0.0000
32	W	A	0.1758
33	P	A	-0.4449
34	G	A	-0.8921
35	D	A	0.0000
36	V	A	-0.2155
37	I	A	0.0000
38	L	A	-0.1707
39	A	A	-0.6278
40	I	A	0.0000
41	G	A	-1.4116
42	E	A	-2.1852
43	Q	A	-1.4091
44	M	A	-0.2860
45	V	A	0.0000
46	Q	A	-1.8264
47	N	A	-1.3469
48	A	A	-1.1614
49	E	A	-2.2932
50	D	A	-1.8995
51	V	A	-0.9881
52	Y	A	-0.8286
53	E	A	-2.4590
54	A	A	0.0000
55	V	A	-1.4429
56	R	A	-2.3450
57	T	A	-1.6145
58	Q	A	-1.9645
59	S	A	-1.4914
60	Q	A	-1.5049
61	L	A	0.0000
62	A	A	-0.3172
63	V	A	0.0000
64	Q	A	-0.6599
65	I	A	0.0000
66	R	A	-2.8742
67	R	A	-2.9516
68	G	A	-2.8245
69	R	A	-3.5455
70	E	A	-3.5811
71	T	A	-2.1990
72	L	A	-0.8948
73	T	A	-0.0898
74	L	A	0.6425
75	Y	A	0.8470
76	V	A	0.0000
77	T	A	-0.7834
78	P	A	0.0000
79	E	A	-1.6134
80	V	A	-0.1902
81	T	A	-0.8309
82	E	A	-1.5512