Project name: query_structure

Chain sequence(s)	A: CGETCVGGTCNTPGCTCSWDKCTRNGLPV
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:12)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:13)

• Minimal score value: -1.6201
• Maximal score value: 1.477
• Average score: -0.4463
• Total score value: -12.9418

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	C	A	0.2127
2	G	A	-0.1175
3	E	A	-1.0756
4	T	A	-1.0782
5	C	A	0.0000
6	V	A	0.9656
7	G	A	-0.1688
8	G	A	-0.4466
9	T	A	-0.4852
10	C	A	-0.9424
11	N	A	-1.3958
12	T	A	-0.9556
13	P	A	-0.8574
14	G	A	-1.0380
15	C	A	0.0000
16	T	A	-1.0390
17	C	A	-0.8073
18	S	A	-0.7273
19	W	A	-0.0062
20	D	A	-1.5389
21	K	A	-1.6201
22	C	A	0.0000
23	T	A	-0.3292
24	R	A	-0.6261
25	N	A	-1.1808
26	G	A	-0.4710
27	L	A	0.8526
28	P	A	0.4573
29	V	A	1.4770