Project name: query_structure

Chain sequence(s)	A: GCIAEDYGRCTWGGTPCCRGRPCRCYGRGDNDLRCECT
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                                          (00:00:22)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:23)

• Minimal score value: -3.887
• Maximal score value: 0.8495
• Average score: -1.5632
• Total score value: -59.4002

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	0.2419
2	C	A	0.4386
3	I	A	0.8495
4	A	A	-1.0464
5	E	A	-1.8570
6	D	A	-1.8407
7	Y	A	-0.8734
8	G	A	-1.7110
9	R	A	-2.3936
10	C	A	0.0000
11	T	A	-0.4819
12	W	A	0.6181
13	G	A	-0.0678
14	G	A	-0.6022
15	T	A	-0.7760
16	P	A	-1.4036
17	C	A	0.0000
18	C	A	0.0000
19	R	A	-2.4331
20	G	A	-2.3186
21	R	A	-3.0513
22	P	A	-2.0268
23	C	A	-2.0331
24	R	A	-2.6131
25	C	A	-1.5065
26	Y	A	-1.7362
27	G	A	-2.6573
28	R	A	-3.5761
29	G	A	-3.1296
30	D	A	-3.4604
31	N	A	-3.6466
32	D	A	-3.8870
33	L	A	-2.6410
34	R	A	-2.8090
35	C	A	0.0000
36	E	A	-2.2901
37	C	A	-1.4939
38	T	A	-1.1850