Project name: query_structure

Chain sequence(s)	A: ECGKFMWKCKNSNDCCKDLVCSSRWKWCVLASPF
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                                          (00:00:45)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:46)

• Minimal score value: -2.7282
• Maximal score value: 1.5991
• Average score: -0.6582
• Total score value: -22.3787

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	-2.1066
2	C	A	-1.0875
3	G	A	0.0000
4	K	A	-0.7621
5	F	A	1.3060
6	M	A	1.2398
7	W	A	0.3269
8	K	A	-1.7672
9	C	A	-1.8721
10	K	A	-2.7282
11	N	A	-2.5064
12	S	A	-1.8954
13	N	A	-2.4344
14	D	A	-2.1804
15	C	A	0.0000
16	C	A	-1.2195
17	K	A	-2.2245
18	D	A	-1.1325
19	L	A	0.2198
20	V	A	0.4191
21	C	A	-0.5556
22	S	A	-0.8981
23	S	A	-1.8760
24	R	A	-1.9726
25	W	A	-0.2920
26	K	A	-1.7265
27	W	A	-0.5564
28	C	A	0.0000
29	V	A	1.2200
30	L	A	1.5991
31	A	A	0.6759
32	S	A	0.2559
33	P	A	0.6128
34	F	A	1.5400