Project name: query_structure

Chain sequence(s)	A: ECLEIFKACNPSNDQCCKSSKLVCSRKTRWCKYQI
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                                          (00:00:56)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:56)

• Minimal score value: -3.6491
• Maximal score value: 1.6152
• Average score: -1.55
• Total score value: -54.2499

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	-1.9910
2	C	A	-1.7860
3	L	A	-1.3861
4	E	A	-1.6915
5	I	A	0.3613
6	F	A	1.2267
7	K	A	-0.6578
8	A	A	-0.9625
9	C	A	-2.1705
10	N	A	-3.1967
11	P	A	-2.5437
12	S	A	-1.9259
13	N	A	-2.9758
14	D	A	-3.0998
15	Q	A	-2.9252
16	C	A	-1.9444
17	C	A	-1.9676
18	K	A	-2.5260
19	S	A	-1.7184
20	S	A	-1.5838
21	K	A	-2.1896
22	L	A	0.0000
23	V	A	-0.7906
24	C	A	-1.7862
25	S	A	-2.1829
26	R	A	-3.6491
27	K	A	-3.1871
28	T	A	-2.0854
29	R	A	-3.1186
30	W	A	-1.5093
31	C	A	0.0000
32	K	A	-0.4178
33	Y	A	0.6008
34	Q	A	-0.0846
35	I	A	1.6152