Project name: query_structure

Chain sequence(s)	A: GCPRILIRCKQDSDCLAGCVCGPNGFCGSPAA
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                                          (00:00:17)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:18)

• Minimal score value: -3.2336
• Maximal score value: 1.952
• Average score: -0.6793
• Total score value: -21.0589

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	-0.8071
2	C	A	0.0000
3	P	A	-0.0836
4	R	A	-0.5346
5	I	A	1.9499
6	L	A	1.9520
7	I	A	0.7447
8	R	A	-1.5900
9	C	A	0.0000
10	K	A	-3.2336
11	Q	A	-3.2276
12	D	A	-2.5827
13	S	A	-1.7490
14	D	A	-2.1168
15	C	A	-0.6828
16	L	A	0.9235
17	A	A	0.0894
18	G	A	-0.4248
19	C	A	-0.3900
20	V	A	-0.6689
21	C	A	-1.6297
22	G	A	-1.2139
23	P	A	-1.0482
24	N	A	-1.6271
25	G	A	-1.6506
26	F	A	-0.3813
27	C	A	0.0000
28	G	A	-0.2285
29	S	A	-0.5077
30	P	A	-0.2929
31	A	A	-0.0470