Project name: query_structure

Chain sequence(s)	A: GTIFDCGETCFLGTCYTPGCSCGNYGFCYGTNG
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                                          (00:00:06)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:06)

• Minimal score value: -1.9676
• Maximal score value: 2.8026
• Average score: 0.5056
• Total score value: 16.6842

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	-0.8346
2	T	A	0.2839
3	I	A	1.6745
4	F	A	1.5228
5	D	A	-0.8413
6	C	A	0.1529
7	G	A	0.1324
8	E	A	0.5135
9	T	A	1.4346
10	C	A	0.0000
11	F	A	2.8026
12	L	A	2.4310
13	G	A	1.0708
14	T	A	1.0814
15	C	A	1.1891
16	Y	A	1.1841
17	T	A	0.2383
18	P	A	-0.1688
19	G	A	-0.8111
20	C	A	-0.0880
21	S	A	0.3788
22	C	A	1.1883
23	G	A	0.5954
24	N	A	-0.2881
25	Y	A	1.3043
26	G	A	1.6680
27	F	A	2.1084
28	C	A	0.0000
29	Y	A	1.0125
30	G	A	0.0000
31	T	A	-1.0266
32	N	A	-1.9676
33	G	A	-1.2573