Project name: query_structure

Chain sequence(s)	A: EDKCSPSGAICSGFGPPEQCCSGACVPHPILRIPVCQ
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                                          (00:00:12)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:12)

• Minimal score value: -3.3699
• Maximal score value: 2.0706
• Average score: -0.3642
• Total score value: -13.4749

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	-3.1886
2	D	A	-3.3699
3	K	A	-3.3114
4	C	A	-2.0661
5	S	A	-0.8441
6	P	A	-0.4855
7	S	A	-0.5397
8	G	A	-0.3809
9	A	A	0.5470
10	I	A	1.7023
11	C	A	0.0000
12	S	A	0.7395
13	G	A	0.7128
14	F	A	1.5139
15	G	A	0.0575
16	P	A	-0.7790
17	P	A	-1.1336
18	E	A	-2.4049
19	Q	A	-1.2803
20	C	A	0.0000
21	C	A	-0.7516
22	S	A	-0.7321
23	G	A	-1.0959
24	A	A	-0.7619
25	C	A	0.0914
26	V	A	-0.0900
27	P	A	-0.0044
28	H	A	0.3600
29	P	A	0.5782
30	I	A	2.0706
31	L	A	1.6615
32	R	A	-0.3775
33	I	A	0.7604
34	P	A	0.4298
35	V	A	0.0000
36	C	A	0.0000
37	Q	A	-1.1024