Project name: query_structure

Chain sequence(s)	A: ADGFCGESCYVIPCISYLVGCSCDTIEKVCKRNG
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                                          (00:00:20)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:20)

• Minimal score value: -2.9651
• Maximal score value: 3.3013
• Average score: 0.3871
• Total score value: 13.1624

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	A	A	-1.3442
2	D	A	-2.6822
3	G	A	-1.1421
4	F	A	0.5548
5	C	A	0.5644
6	G	A	0.1818
7	E	A	0.4116
8	S	A	0.6154
9	C	A	1.3355
10	Y	A	2.0951
11	V	A	2.8959
12	I	A	2.6971
13	P	A	1.8272
14	C	A	0.0000
15	I	A	3.0268
16	S	A	2.2897
17	Y	A	2.8897
18	L	A	3.3013
19	V	A	2.7652
20	G	A	0.7626
21	C	A	0.0000
22	S	A	-0.0148
23	C	A	0.3694
24	D	A	-0.6380
25	T	A	0.2146
26	I	A	0.8378
27	E	A	-1.0823
28	K	A	-0.4427
29	V	A	-0.2573
30	C	A	0.0000
31	K	A	-1.5750
32	R	A	-2.2478
33	N	A	-2.9651
34	G	A	-2.0820