Project name: query_structure

Chain sequence(s)	A: GTCNTPGCTCSAPVCTRNGLPVCGETCVG
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                                          (00:00:12)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:13)

• Minimal score value: -1.386
• Maximal score value: 1.5216
• Average score: -0.078
• Total score value: -2.262

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	-0.0303
2	T	A	0.0536
3	C	A	-0.4222
4	N	A	-1.1328
5	T	A	-1.0293
6	P	A	-0.8881
7	G	A	-1.1077
8	C	A	-0.7065
9	T	A	-0.6045
10	C	A	-0.0325
11	S	A	-0.1436
12	A	A	0.1672
13	P	A	0.1501
14	V	A	0.6014
15	C	A	0.0000
16	T	A	0.0000
17	R	A	-0.9066
18	N	A	-1.3860
19	G	A	-0.4624
20	L	A	1.0490
21	P	A	0.7793
22	V	A	1.5216
23	C	A	0.3933
24	G	A	0.0459
25	E	A	-0.1541
26	T	A	0.0633
27	C	A	0.4540
28	V	A	1.2060
29	G	A	0.2599