Project name: query_structure

Chain sequence(s)	A: ECLGFGKGCNPSNDQCCKSSNLVCSRKHRWCKYEI
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:15)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:16)

• Minimal score value: -3.9252
• Maximal score value: 1.2196
• Average score: -1.1745
• Total score value: -41.1081

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	E	A	-1.8528
2	C	A	-0.6191
3	L	A	-0.3852
4	G	A	0.1206
5	F	A	1.2196
6	G	A	-0.5613
7	K	A	-1.8814
8	G	A	-1.7441
9	C	A	0.0000
10	N	A	-2.4069
11	P	A	-2.3562
12	S	A	-1.7440
13	N	A	-1.9710
14	D	A	-1.9904
15	Q	A	-1.9625
16	C	A	0.0000
17	C	A	-0.8416
18	K	A	-2.0825
19	S	A	-1.1364
20	S	A	-0.6978
21	N	A	-0.9542
22	L	A	0.0000
23	V	A	-0.6574
24	C	A	0.0000
25	S	A	0.0000
26	R	A	-3.6340
27	K	A	-3.5344
28	H	A	-3.5525
29	R	A	-3.9252
30	W	A	-2.1588
31	C	A	0.0000
32	K	A	-0.6762
33	Y	A	0.4042
34	E	A	-0.7051
35	I	A	1.1785