Project name: query_structure

Chain sequence(s)	A: ECKGFGKSCVPGKNECCSGYACNSRDKWCKVLL
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                                          (00:01:13)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:14)

• Minimal score value: -2.8488
• Maximal score value: 2.4944
• Average score: -0.6983
• Total score value: -23.0442

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	E	A	-1.9138
2	C	A	-1.2316
3	K	A	-1.0845
4	G	A	-0.1495
5	F	A	1.2593
6	G	A	-0.4241
7	K	A	-1.5459
8	S	A	-1.0950
9	C	A	0.0000
10	V	A	0.0010
11	P	A	-0.9839
12	G	A	-1.5654
13	K	A	-2.6427
14	N	A	-2.6240
15	E	A	-2.4549
16	C	A	0.0000
17	C	A	-0.5912
18	S	A	-0.5367
19	G	A	0.1667
20	Y	A	0.9597
21	A	A	0.0293
22	C	A	-1.0457
23	N	A	-1.2558
24	S	A	-1.8089
25	R	A	-2.8488
26	D	A	-2.7183
27	K	A	-2.5780
28	W	A	-1.3280
29	C	A	0.0000
30	K	A	0.0179
31	V	A	2.0291
32	L	A	2.4944
33	L	A	2.4251