Project name: query_structure

Chain sequence(s)	A: ECLGFGKGCNPSNDQCCKSSNLVCSRKHAWCKYEI
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                                          (00:00:21)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:21)

• Minimal score value: -3.3564
• Maximal score value: 1.2177
• Average score: -1.4055
• Total score value: -49.1942

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	-1.6515
2	C	A	-0.9070
3	L	A	-0.3601
4	G	A	-0.1656
5	F	A	1.0782
6	G	A	-0.3393
7	K	A	-1.5724
8	G	A	-1.5931
9	C	A	-2.1977
10	N	A	-2.8709
11	P	A	-2.4825
12	S	A	-1.9038
13	N	A	-2.5433
14	D	A	-2.4801
15	Q	A	-2.5586
16	C	A	0.0000
17	C	A	-1.1074
18	K	A	-2.2461
19	S	A	-1.4090
20	S	A	-1.0937
21	N	A	-1.7319
22	L	A	0.0000
23	V	A	-0.9321
24	C	A	-1.8807
25	S	A	-2.3395
26	R	A	-3.3564
27	K	A	-3.1473
28	H	A	-2.6394
29	A	A	-2.5142
30	W	A	-1.6401
31	C	A	0.0000
32	K	A	-1.4149
33	Y	A	0.1541
34	E	A	-0.5656
35	I	A	1.2177