Project name: query_structure

Chain sequence(s)	A: YCQKWMWTCDEERKCCEGLVCRLWCKRIINM
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                                          (00:00:39)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:39)

• Minimal score value: -3.6701
• Maximal score value: 2.2827
• Average score: -0.2638
• Total score value: -8.1767

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	0.5797
2	C	A	-0.1076
3	Q	A	-0.6450
4	K	A	-1.1635
5	W	A	0.2699
6	M	A	1.2043
7	W	A	0.5184
8	T	A	0.1822
9	C	A	-0.8616
10	D	A	-3.2437
11	E	A	-3.6701
12	E	A	-3.5471
13	R	A	-2.2648
14	K	A	-1.4112
15	C	A	0.0000
16	C	A	-0.5019
17	E	A	-1.4374
18	G	A	-1.0007
19	L	A	0.0000
20	V	A	0.9560
21	C	A	0.3769
22	R	A	-0.3968
23	L	A	1.2070
24	W	A	1.4137
25	C	A	0.0000
26	K	A	-0.3494
27	R	A	-0.2854
28	I	A	1.8413
29	I	A	2.2827
30	N	A	0.6416
31	M	A	1.2358