Project name: query_structure

Chain sequence(s)	A: NFDATDDEDDLPDNFDATDDEDDLPD
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                                          (00:00:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:09)

• Minimal score value: -4.8088
• Maximal score value: 0.4598
• Average score: -2.6433
• Total score value: -68.7266

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	N	A	-0.8120
2	F	A	0.4598
3	D	A	-1.3420
4	A	A	-1.1444
5	T	A	-1.7001
6	D	A	-3.5967
7	D	A	-4.4926
8	E	A	-4.4604
9	D	A	-4.0808
10	D	A	-3.2956
11	L	A	-1.0337
12	P	A	-1.1247
13	D	A	-1.8685
14	N	A	-1.5421
15	F	A	-0.3990
16	D	A	-2.8132
17	A	A	-1.2828
18	T	A	-2.2425
19	D	A	-3.9317
20	D	A	-4.8088
21	E	A	-4.6426
22	D	A	-4.4816
23	D	A	-4.7254
24	L	A	-3.9922
25	P	A	-2.5362
26	D	A	-2.8368