Project name: query_structure

Chain sequence(s)	A: CKSGGAWCGFDPHGCCGNCGCLVGFCYGTGC
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                                          (00:00:14)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:15)

• Minimal score value: -1.3924
• Maximal score value: 3.1624
• Average score: 0.3956
• Total score value: 12.2631

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	0.6692
2	K	A	0.0947
3	S	A	-0.0787
4	G	A	0.2063
5	G	A	0.3780
6	A	A	0.7415
7	W	A	1.5826
8	C	A	0.7387
9	G	A	0.9509
10	F	A	0.9414
11	D	A	-1.1893
12	P	A	-0.1866
13	H	A	-1.3924
14	G	A	-1.0189
15	C	A	-0.3194
16	C	A	0.3788
17	G	A	-0.3541
18	N	A	-1.2576
19	C	A	0.0000
20	G	A	0.3278
21	C	A	1.8251
22	L	A	2.7429
23	V	A	3.1624
24	G	A	0.0000
25	F	A	2.4747
26	C	A	0.0000
27	Y	A	1.6397
28	G	A	0.0314
29	T	A	-0.4498
30	G	A	-0.5179
31	C	A	0.1417