Project name: query_structure

Chain sequence(s)	A: AGCIKNGGRCNASAGPPYCCSSYCFQIAGQSYGVCKNR
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                                          (00:00:15)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:16)

• Minimal score value: -1.8055
• Maximal score value: 2.4393
• Average score: 0.0109
• Total score value: 0.4019

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	A	A	0.1530
2	G	A	0.3036
3	C	A	0.8755
4	I	A	0.6451
5	K	A	-1.4907
6	N	A	-1.8055
7	G	A	-1.1632
8	G	A	0.0000
9	R	A	-0.8616
10	C	A	0.0000
11	N	A	0.0306
12	A	A	0.3029
13	S	A	-0.3548
14	A	A	-0.3503
15	G	A	-0.5630
16	P	A	-0.2875
17	P	A	0.0963
18	Y	A	1.1486
19	C	A	0.0000
20	C	A	0.1734
21	S	A	-0.3376
22	S	A	0.1076
23	Y	A	1.0959
24	C	A	1.3776
25	F	A	2.4393
26	Q	A	1.3550
27	I	A	1.3026
28	A	A	0.0840
29	G	A	-0.6655
30	Q	A	-1.1349
31	S	A	-0.3975
32	Y	A	0.4299
33	G	A	0.0000
34	V	A	0.9144
35	C	A	0.0000
36	K	A	-1.2520
37	N	A	-1.7693