Project name: query_structure

Chain sequence(s)	A: DIFCGETCAFIPCITHVPGTCSCKSKVCYFN
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                                          (00:00:15)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:16)

• Minimal score value: -1.9738
• Maximal score value: 2.695
• Average score: 0.4581
• Total score value: 14.2012

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	-0.4881
2	I	A	2.3097
3	F	A	2.6950
4	C	A	1.6749
5	G	A	0.8289
6	E	A	0.5063
7	T	A	0.4936
8	C	A	0.5836
9	A	A	0.5651
10	F	A	2.1306
11	I	A	1.9414
12	P	A	1.0347
13	C	A	0.0000
14	I	A	1.9854
15	T	A	0.9160
16	H	A	0.3362
17	V	A	1.3327
18	P	A	0.0221
19	G	A	-0.3237
20	T	A	0.1170
21	C	A	0.7281
22	S	A	-0.5213
23	C	A	-0.4718
24	K	A	-1.9738
25	S	A	-1.4820
26	K	A	-1.4718
27	V	A	-0.3847
28	C	A	0.0000
29	Y	A	0.8689
30	F	A	1.0835
31	N	A	-0.8353