Project name: query_structure

Chain sequence(s)	A: GNDCLGFWSACNPKNDKCCANLVCSSKHKWCKGKL
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                                          (00:00:19)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:19)

• Minimal score value: -3.3271
• Maximal score value: 2.2854
• Average score: -1.2533
• Total score value: -43.8655

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	-1.5152
2	N	A	-2.2776
3	D	A	-2.4622
4	C	A	-1.2886
5	L	A	0.3465
6	G	A	0.8965
7	F	A	2.2854
8	W	A	1.6715
9	S	A	0.9061
10	A	A	-0.4438
11	C	A	-1.8391
12	N	A	-3.0646
13	P	A	-3.1043
14	K	A	-3.1466
15	N	A	-3.3271
16	D	A	-3.3147
17	K	A	-3.0074
18	C	A	-0.8925
19	C	A	-0.3075
20	A	A	-0.0060
21	N	A	-1.4742
22	L	A	-0.6026
23	V	A	-0.7533
24	C	A	-2.0068
25	S	A	-2.0449
26	S	A	-2.4670
27	K	A	-2.8427
28	H	A	-2.6426
29	K	A	-2.9636
30	W	A	-1.0586
31	C	A	0.0000
32	K	A	-0.2340
33	G	A	-0.3354
34	K	A	-1.1899
35	L	A	0.6413