Project name: query_structure

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

• Minimal score value: -2.2117
• Maximal score value: 1.7064
• Average score: -0.2894
• Total score value: -8.3912

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	-0.8405
2	L	A	0.9411
3	P	A	0.5882
4	V	A	1.5660
5	C	A	-0.0306
6	G	A	-0.2526
7	E	A	-0.2497
8	T	A	0.2049
9	C	A	0.0000
10	V	A	1.7064
11	G	A	0.3073
12	G	A	-0.1616
13	T	A	-0.3875
14	C	A	-1.1050
15	N	A	-1.6912
16	T	A	-1.1388
17	P	A	-1.3550
18	G	A	-1.9479
19	C	A	-1.8070
20	K	A	-2.2117
21	C	A	-0.4930
22	S	A	0.3888
23	W	A	1.3608
24	P	A	1.2979
25	V	A	1.0769
26	C	A	0.0000
27	T	A	-0.5807
28	R	A	-1.5910
29	N	A	-1.9857