Project name: query_structure

Chain sequence(s)	A: YCQKWMWTCDSERKCCEGMVCRLWCKKKLW
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                                          (00:00:33)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:34)

• Minimal score value: -3.0833
• Maximal score value: 1.5694
• Average score: -0.4306
• Total score value: -12.917

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	Y	A	0.7509
2	C	A	0.4975
3	Q	A	0.0000
4	K	A	-0.9601
5	W	A	-0.0110
6	M	A	0.6663
7	W	A	1.1768
8	T	A	0.2595
9	C	A	-0.6936
10	D	A	-2.5619
11	S	A	-2.2134
12	E	A	-3.0833
13	R	A	-2.7143
14	K	A	-2.4713
15	C	A	0.0000
16	C	A	-1.0494
17	E	A	-2.1856
18	G	A	-1.3331
19	M	A	0.0000
20	V	A	0.7772
21	C	A	0.3655
22	R	A	-0.1660
23	L	A	1.4553
24	W	A	1.5694
25	C	A	0.0000
26	K	A	-0.8029
27	K	A	-1.3409
28	K	A	-1.0315
29	L	A	0.8518
30	W	A	1.3311