Project name: query_structure

Chain sequence(s)	A: LQLREPSFPDVQHVVLIHKVILGSPAHRAGLRPGDVILAIGEQMVQNAEDVYEAVRTQSQLAVQIRRGRETLTLYVTPEVTE
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                                          (00:00:46)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:47)

• Minimal score value: -3.3432
• Maximal score value: 1.7385
• Average score: -0.8302
• Total score value: -68.0742

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	1.1569
2	Q	A	-0.3212
3	L	A	-0.0210
4	R	A	-2.0837
5	E	A	-2.4026
6	P	A	-1.3766
7	S	A	-0.6874
8	F	A	0.2028
9	P	A	-0.3940
10	D	A	-1.4024
11	V	A	-0.1120
12	Q	A	-1.3124
13	H	A	-0.5379
14	V	A	0.6580
15	V	A	0.4292
16	L	A	0.8367
17	I	A	-0.5953
18	H	A	-1.7823
19	K	A	-1.8222
20	V	A	0.0000
21	I	A	1.7140
22	L	A	1.7385
23	G	A	0.4361
24	S	A	-0.0308
25	P	A	-0.7647
26	A	A	-0.4946
27	H	A	-1.2820
28	R	A	-1.7082
29	A	A	-1.1476
30	G	A	-1.4260
31	L	A	0.0000
32	R	A	-2.5349
33	P	A	-1.8103
34	G	A	-1.4800
35	D	A	0.0000
36	V	A	-0.1336
37	I	A	0.0000
38	L	A	0.2679
39	A	A	-0.5753
40	I	A	0.0000
41	G	A	-1.4421
42	E	A	-2.1843
43	Q	A	-1.3654
44	M	A	-0.3031
45	V	A	0.0000
46	Q	A	-1.4038
47	N	A	-1.2682
48	A	A	-1.0480
49	E	A	-2.2293
50	D	A	-1.8557
51	V	A	-0.9203
52	Y	A	-0.6944
53	E	A	-2.2898
54	A	A	0.0000
55	V	A	-1.2050
56	R	A	-2.1459
57	T	A	-1.3358
58	Q	A	-1.4311
59	S	A	-1.2672
60	Q	A	-1.4804
61	L	A	0.0000
62	A	A	-0.3165
63	V	A	0.0000
64	Q	A	-0.6489
65	I	A	0.0000
66	R	A	-2.2251
67	R	A	-2.9941
68	G	A	-2.6324
69	R	A	-3.3432
70	E	A	-3.2534
71	T	A	-1.8839
72	L	A	-0.6565
73	T	A	0.0137
74	L	A	0.5805
75	Y	A	0.7599
76	V	A	0.0000
77	T	A	-0.7501
78	P	A	0.0000
79	E	A	-1.6124
80	V	A	-0.0871
81	T	A	-0.8052
82	E	A	-1.5508