Project name: query_structure

Chain sequence(s)	A: GTPSADQVRYNYTELPNGEYCYTPRRRCTSADQCCRPYDTTAAFHGCGRIWPKDKREKVDRCYICNNEKTLCTSVM
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                                          (00:01:24)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:24)

• Minimal score value: -4.6155
• Maximal score value: 1.1312
• Average score: -1.2287
• Total score value: -93.3822

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	G	A	-0.5524
2	T	A	-0.3828
3	P	A	-1.0687
4	S	A	-0.9066
5	A	A	-1.0413
6	D	A	-2.0987
7	Q	A	-1.8025
8	V	A	-1.0721
9	R	A	-1.3026
10	Y	A	-0.0922
11	N	A	0.0848
12	Y	A	1.1312
13	T	A	-0.2370
14	E	A	-2.0324
15	L	A	0.0000
16	P	A	-1.8890
17	N	A	-2.3183
18	G	A	-2.2300
19	E	A	-2.4719
20	Y	A	-0.7584
21	C	A	-0.4692
22	Y	A	-0.5340
23	T	A	-0.4328
24	P	A	-0.8873
25	R	A	-1.4829
26	R	A	-2.9371
27	R	A	-3.1971
28	C	A	-1.8494
29	T	A	-1.1301
30	S	A	-1.0671
31	A	A	-1.1245
32	D	A	-1.9676
33	Q	A	-1.5091
34	C	A	0.0000
35	C	A	0.0000
36	R	A	-0.5334
37	P	A	0.0000
38	Y	A	-0.2689
39	D	A	-1.7475
40	T	A	-0.8338
41	T	A	-0.6787
42	A	A	-1.3159
43	A	A	0.0000
44	F	A	-0.2238
45	H	A	-0.2606
46	G	A	0.0000
47	C	A	-1.3279
48	G	A	-1.7889
49	R	A	-2.6720
50	I	A	-0.4053
51	W	A	-0.7335
52	P	A	-2.2367
53	K	A	-2.8786
54	D	A	0.0000
55	K	A	-4.5884
56	R	A	-4.6155
57	E	A	-4.5444
58	K	A	-4.4384
59	V	A	-3.3864
60	D	A	-3.0085
61	R	A	-2.6483
62	C	A	0.0000
63	Y	A	-0.5933
64	I	A	0.0000
65	C	A	0.0000
66	N	A	0.0000
67	N	A	-2.5629
68	E	A	-2.7665
69	K	A	-2.5744
70	T	A	-1.3536
71	L	A	-0.6571
72	C	A	-0.1871
73	T	A	0.1836
74	S	A	0.5010
75	V	A	0.4479
76	M	A	0.9447