Project name: query_structure

Chain sequence(s)	A: DDCGKLFSGCDTNADCCEGYVCRLWCKLDW
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                                          (00:00:14)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:14)

• Minimal score value: -2.8113
• Maximal score value: 1.8128
• Average score: -0.66
• Total score value: -19.799

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	-2.5519
2	D	A	-2.8113
3	C	A	-2.6434
4	G	A	-2.1644
5	K	A	-1.5295
6	L	A	0.9798
7	F	A	1.8128
8	S	A	0.1780
9	G	A	0.1257
10	C	A	-0.4749
11	D	A	-2.5321
12	T	A	-1.9260
13	N	A	-2.1492
14	A	A	-2.5568
15	D	A	-2.6769
16	C	A	0.0000
17	C	A	-1.7444
18	E	A	-1.9419
19	G	A	-1.0914
20	Y	A	0.1732
21	V	A	0.4541
22	C	A	0.3444
23	R	A	-0.0377
24	L	A	1.4406
25	W	A	1.7653
26	C	A	0.0000
27	K	A	1.0994
28	L	A	0.9220
29	D	A	-0.8167
30	W	A	0.5542