Project name: query_structure

Chain sequence(s)	A: AEKDCIAPGAPCFGTDKPCCNPRAWCSSYANKCL
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                                          (00:00:51)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:52)

• Minimal score value: -3.3266
• Maximal score value: 1.3009
• Average score: -0.608
• Total score value: -20.6737

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	A	A	-1.4477
2	E	A	-3.0185
3	K	A	-3.3266
4	D	A	-2.9676
5	C	A	-1.7242
6	I	A	0.0000
7	A	A	-1.1917
8	P	A	-0.3742
9	G	A	-0.6987
10	A	A	-0.5469
11	P	A	-0.4397
12	C	A	0.0000
13	F	A	0.5683
14	G	A	-0.5306
15	T	A	-0.9310
16	D	A	-1.8493
17	K	A	-1.3270
18	P	A	-0.1947
19	C	A	-0.0583
20	C	A	-0.6668
21	N	A	-1.2781
22	P	A	-1.4031
23	R	A	-1.7723
24	A	A	-0.1380
25	W	A	1.0110
26	C	A	0.9967
27	S	A	0.0000
28	S	A	0.6804
29	Y	A	1.2236
30	A	A	0.2241
31	N	A	-0.5200
32	K	A	-0.2737
33	C	A	0.0000
34	L	A	1.3009