Project name: query_structure

Chain sequence(s)	A: CGESCFLGTCYTKGCSCGEWKLCYGTNGGTIFD
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                                          (00:00:10)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:10)

• Minimal score value: -1.6129
• Maximal score value: 2.4784
• Average score: 0.0971
• Total score value: 3.2038

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	C	A	-0.2462
2	G	A	-0.4171
3	E	A	0.0325
4	S	A	0.8679
5	C	A	0.0000
6	F	A	2.4784
7	L	A	2.1793
8	G	A	0.8942
9	T	A	0.8821
10	C	A	0.9568
11	Y	A	0.7059
12	T	A	-0.3679
13	K	A	-1.6129
14	G	A	-0.9310
15	C	A	0.0000
16	S	A	-0.6345
17	C	A	0.4658
18	G	A	-0.6202
19	E	A	-1.5124
20	W	A	0.0279
21	K	A	-0.3890
22	L	A	0.6559
23	C	A	0.0000
24	Y	A	0.2389
25	G	A	0.0000
26	T	A	-0.2448
27	N	A	-1.1830
28	G	A	-0.9617
29	G	A	-0.4914
30	T	A	0.4032
31	I	A	1.7027
32	F	A	0.9164
33	D	A	-0.5920