Project name: query_structure

Chain sequence(s)	A: DCVRFWGKCSQTSDCCPHLACKSKWPRNICVWDGSV
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                                          (00:00:37)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:38)

• Minimal score value: -3.0118
• Maximal score value: 1.304
• Average score: -1.0277
• Total score value: -36.9989

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	D	A	-1.5858
2	C	A	-0.5330
3	V	A	-0.5760
4	R	A	-1.1471
5	F	A	0.3795
6	W	A	0.3198
7	G	A	-0.5291
8	K	A	-2.3341
9	C	A	0.0000
10	S	A	-1.9746
11	Q	A	-1.9949
12	T	A	-0.9241
13	S	A	-0.7883
14	D	A	-1.3597
15	C	A	-0.7073
16	C	A	-0.4322
17	P	A	-0.9039
18	H	A	-1.4304
19	L	A	0.0000
20	A	A	-1.1863
21	C	A	-1.7845
22	K	A	-2.6805
23	S	A	-2.0022
24	K	A	-1.9860
25	W	A	-0.5676
26	P	A	-1.4790
27	R	A	-2.9832
28	N	A	-3.0118
29	I	A	0.0000
30	C	A	0.0000
31	V	A	-0.6804
32	W	A	-0.6774
33	D	A	-1.8780
34	G	A	-0.8502
35	S	A	-0.0146
36	V	A	1.3040