Project name: query_structure

Chain sequence(s)	A: GTCNTPGCTCDPWPICTRDGLPTCGETCFG
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                                          (00:00:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:09)

• Minimal score value: -2.4165
• Maximal score value: 1.4346
• Average score: -0.5624
• Total score value: -16.8707

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	-0.2402
2	T	A	-0.1763
3	C	A	-0.5222
4	N	A	-1.2366
5	T	A	-1.1392
6	P	A	-0.9278
7	G	A	-1.2977
8	C	A	-1.3963
9	T	A	-1.3793
10	C	A	-0.7169
11	D	A	-2.0759
12	P	A	-1.0180
13	W	A	0.0145
14	P	A	0.0854
15	I	A	0.3423
16	C	A	0.0000
17	T	A	0.0000
18	R	A	-2.0523
19	D	A	-2.4165
20	G	A	-1.1771
21	L	A	0.3603
22	P	A	-0.1232
23	T	A	-0.4051
24	C	A	-0.5959
25	G	A	-0.6168
26	E	A	-0.5728
27	T	A	0.2113
28	C	A	0.4415
29	F	A	1.4346
30	G	A	0.3255