Project name: query_structure

Chain sequence(s)	A: GTCNTPGCTCAWPVCTRNGLPVCGETCVG
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: -1.3482
• Maximal score value: 1.4542
• Average score: 0.0673
• Total score value: 1.9507

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	0.2292
2	T	A	0.0929
3	C	A	-0.3655
4	N	A	-1.1698
5	T	A	-1.0193
6	P	A	-0.8776
7	G	A	-1.0886
8	C	A	-0.6506
9	T	A	-0.3696
10	C	A	0.3803
11	A	A	0.8022
12	W	A	1.4028
13	P	A	0.8959
14	V	A	1.2809
15	C	A	0.0000
16	T	A	0.0000
17	R	A	-0.8195
18	N	A	-1.3482
19	G	A	-0.4252
20	L	A	1.0906
21	P	A	0.8335
22	V	A	1.4542
23	C	A	0.4002
24	G	A	0.0687
25	E	A	-0.1639
26	T	A	0.2582
27	C	A	0.0000
28	V	A	0.9279
29	G	A	0.1310