Project name: query_structure

Chain sequence(s)	A: GCLGDKCDYNNGCCSGYVCSRTWKWCVLAGPW
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                                          (00:00:41)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:42)

• Minimal score value: -3.0415
• Maximal score value: 2.1419
• Average score: -0.3904
• Total score value: -12.4935

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	G	A	-0.1944
2	C	A	0.1900
3	L	A	1.0440
4	G	A	-0.9730
5	D	A	-2.5725
6	K	A	-3.0415
7	C	A	0.0000
8	D	A	-2.6685
9	Y	A	-0.6723
10	N	A	-1.7944
11	N	A	-2.5049
12	G	A	-1.5282
13	C	A	-0.2703
14	C	A	0.5601
15	S	A	0.2206
16	G	A	0.3796
17	Y	A	1.4124
18	V	A	1.3548
19	C	A	-0.5704
20	S	A	-0.7617
21	R	A	-1.9928
22	T	A	-0.6222
23	W	A	-0.0397
24	K	A	-1.8878
25	W	A	-1.6258
26	C	A	0.0000
27	V	A	1.4554
28	L	A	2.1419
29	A	A	0.9384
30	G	A	0.3264
31	P	A	0.2733
32	W	A	0.9300