Project name: query_structure

Chain sequence(s)	A: GVPCAESCVWIPCTVTALLGCSCKDKVCYLD
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                                          (00:00:32)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:33)

• Minimal score value: -2.8701
• Maximal score value: 2.5801
• Average score: 0.4427
• Total score value: 13.7238

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	-0.3143
2	V	A	1.3608
3	P	A	0.5590
4	C	A	0.9166
5	A	A	0.5178
6	E	A	0.4002
7	S	A	0.0840
8	C	A	0.4598
9	V	A	1.1744
10	W	A	2.2173
11	I	A	2.4114
12	P	A	1.2898
13	C	A	0.0000
14	T	A	1.5012
15	V	A	2.2979
16	T	A	1.8971
17	A	A	1.7547
18	L	A	2.5801
19	L	A	2.4812
20	G	A	0.7936
21	C	A	0.0000
22	S	A	-0.3038
23	C	A	-0.7959
24	K	A	-2.6040
25	D	A	-2.8701
26	K	A	-1.9980
27	V	A	-0.9185
28	C	A	0.0000
29	Y	A	-0.1481
30	L	A	0.4144
31	D	A	-1.4348