Project name: query_structure

Chain sequence(s)	A: GLPVCGETCVGGTCNTPGCTCSWWPVCTRN
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]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:06)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:06)

• Minimal score value: -2.1312
• Maximal score value: 2.0105
• Average score: -0.0661
• Total score value: -1.9817

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	-0.9183
2	L	A	0.1270
3	P	A	0.3721
4	V	A	1.0037
5	C	A	-0.1133
6	G	A	-0.2079
7	E	A	-0.1852
8	T	A	0.3719
9	C	A	0.0000
10	V	A	1.6908
11	G	A	0.4487
12	G	A	0.3517
13	T	A	-0.0886
14	C	A	-0.7634
15	N	A	-1.4336
16	T	A	-1.1933
17	P	A	-1.0177
18	G	A	-1.4466
19	C	A	-1.3230
20	T	A	-0.7737
21	C	A	0.2704
22	S	A	0.3165
23	W	A	1.7275
24	W	A	2.0105
25	P	A	1.5264
26	V	A	1.4190
27	C	A	0.0000
28	T	A	0.0000
29	R	A	-2.1312
30	N	A	-2.0221