Project name: query_structure

Chain sequence(s)	A: DCLSGRYKGPCAVWDNETCRRVCKEEGRSSGHCSPSLKCWCEGC
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:19)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:19)

• Minimal score value: -4.7863
• Maximal score value: 2.0852
• Average score: -1.4043
• Total score value: -61.787

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	D	A	-1.9833
2	C	A	-0.5532
3	L	A	-0.2163
4	S	A	-1.3200
5	G	A	-1.4983
6	R	A	-2.6659
7	Y	A	-2.0477
8	K	A	-2.6108
9	G	A	-1.4679
10	P	A	-0.7479
11	C	A	0.0000
12	A	A	1.0702
13	V	A	2.0852
14	W	A	1.4279
15	D	A	-0.5497
16	N	A	-1.3835
17	E	A	-2.7779
18	T	A	-2.3107
19	C	A	0.0000
20	R	A	-4.5685
21	R	A	-4.6122
22	V	A	0.0000
23	C	A	0.0000
24	K	A	-4.7863
25	E	A	-4.4078
26	E	A	-3.3876
27	G	A	-3.0238
28	R	A	-3.4174
29	S	A	-2.7302
30	S	A	-3.3372
31	G	A	0.0000
32	H	A	-2.1687
33	C	A	-0.6489
34	S	A	-0.2094
35	P	A	-0.1410
36	S	A	-0.1985
37	L	A	0.4451
38	K	A	-1.1670
39	C	A	0.0000
40	W	A	-0.6105
41	C	A	0.0000
42	E	A	-2.6639
43	G	A	-1.8369
44	C	A	-0.7665