Project name: query_structure

Chain sequence(s)	A: VCGETCVGGTCNTPGCTCSWPVCT
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                                          (00:00:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:09)

• Minimal score value: -1.3839
• Maximal score value: 2.2197
• Average score: 0.4876
• Total score value: 11.7015

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	V	A	1.8481
2	C	A	0.7080
3	G	A	0.3694
4	E	A	0.3158
5	T	A	0.8866
6	C	A	0.0000
7	V	A	1.9013
8	G	A	0.2891
9	G	A	0.2959
10	T	A	0.0196
11	C	A	-0.2072
12	N	A	-1.3839
13	T	A	-0.9382
14	P	A	-0.7759
15	G	A	-0.7032
16	C	A	0.0008
17	T	A	0.1579
18	C	A	1.1182
19	S	A	1.0837
20	W	A	1.9392
21	P	A	1.6783
22	V	A	2.2197
23	C	A	0.0000
24	T	A	0.8783