Project name: query_structure

Chain sequence(s)	A: GLPVCGESCFGGTCNTPGCACDPWPVCTRD
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: -2.3987
• Maximal score value: 1.7564
• Average score: -0.3293
• Total score value: -9.8779

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	-0.9948
2	L	A	0.9920
3	P	A	0.2981
4	V	A	1.3431
5	C	A	0.1769
6	G	A	-0.1570
7	E	A	-0.5057
8	S	A	0.0906
9	C	A	0.0000
10	F	A	1.7564
11	G	A	0.2273
12	G	A	0.1579
13	T	A	-0.1963
14	C	A	-0.8421
15	N	A	-1.4601
16	T	A	-1.1655
17	P	A	-0.9355
18	G	A	-1.3573
19	C	A	-1.2734
20	A	A	-1.3198
21	C	A	-0.5382
22	D	A	-1.8119
23	P	A	-0.5219
24	W	A	0.9077
25	P	A	0.8951
26	V	A	0.7123
27	C	A	0.0000
28	T	A	0.0000
29	R	A	-1.9571
30	D	A	-2.3987