Project name: query_structure

Chain sequence(s)	A: CGSKRAWCKEKKDCCCGYNCVYAWYNQQSSCERKWKYLFTGEC
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                                          (00:01:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:06)

• Minimal score value: -3.6995
• Maximal score value: 1.8138
• Average score: -0.8766
• Total score value: -37.6941

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	C	A	0.0866
2	G	A	0.0000
3	S	A	-1.2594
4	K	A	-2.9362
5	R	A	-2.6570
6	A	A	-0.7806
7	W	A	-0.1764
8	C	A	-1.5343
9	K	A	-2.9573
10	E	A	-3.6995
11	K	A	-3.4790
12	K	A	-3.4752
13	D	A	-2.5613
14	C	A	0.0000
15	C	A	-0.2712
16	C	A	0.0488
17	G	A	-0.8668
18	Y	A	-1.7988
19	N	A	-1.7879
20	C	A	-1.7167
21	V	A	0.6575
22	Y	A	1.1354
23	A	A	0.8377
24	W	A	1.1261
25	Y	A	0.9681
26	N	A	-0.9359
27	Q	A	-1.1316
28	Q	A	-1.1154
29	S	A	-0.6582
30	S	A	-0.7446
31	C	A	0.0000
32	E	A	-2.9847
33	R	A	-3.1005
34	K	A	-1.5041
35	W	A	0.0587
36	K	A	-0.5421
37	Y	A	0.8231
38	L	A	0.9358
39	F	A	1.8138
40	T	A	0.5764
41	G	A	-0.3188
42	E	A	-1.1793
43	C	A	-0.5893