Project name: query_structure

Chain sequence(s)	A: EDKCSPSGAICSGFGPPEQCCSGACVLNRRARSWKCQ
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                                          (00:00:19)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:19)

• Minimal score value: -3.3467
• Maximal score value: 1.7851
• Average score: -0.8435
• Total score value: -31.2095

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	E	A	-3.1241
2	D	A	-3.3467
3	K	A	-3.2727
4	C	A	-2.0692
5	S	A	-0.9134
6	P	A	-0.6772
7	S	A	-0.4971
8	G	A	-0.2199
9	A	A	0.5321
10	I	A	1.7851
11	C	A	0.0000
12	S	A	0.9192
13	G	A	1.0900
14	F	A	1.7295
15	G	A	0.0958
16	P	A	-0.9074
17	P	A	-1.1649
18	E	A	-2.4981
19	Q	A	-1.7131
20	C	A	0.0000
21	C	A	-0.8046
22	S	A	-0.7591
23	G	A	-1.1632
24	A	A	-0.7375
25	C	A	0.2101
26	V	A	0.4173
27	L	A	-0.3022
28	N	A	-1.7084
29	R	A	-3.2084
30	R	A	-3.3076
31	A	A	-2.0116
32	R	A	-2.9295
33	S	A	-0.8216
34	W	A	0.7481
35	K	A	0.3268
36	C	A	0.0000
37	Q	A	-0.9060