Project name: query_structure

Chain sequence(s)	A: HEPCGESCVFIPCITTVVGCSCKNKVCYD
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                                          (00:00:19)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:19)

• Minimal score value: -2.8531
• Maximal score value: 2.8959
• Average score: 0.0459
• Total score value: 1.3303

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	H	A	-2.3713
2	E	A	-2.8531
3	P	A	-1.8037
4	C	A	-0.7506
5	G	A	-0.9724
6	E	A	0.0688
7	S	A	0.3035
8	C	A	1.0600
9	V	A	1.5396
10	F	A	2.8554
11	I	A	2.8250
12	P	A	1.6174
13	C	A	0.0000
14	I	A	2.7226
15	T	A	1.7758
16	T	A	1.6722
17	V	A	2.8959
18	V	A	2.3979
19	G	A	0.5980
20	C	A	-0.2005
21	S	A	-0.3594
22	C	A	-0.5709
23	K	A	-1.9772
24	N	A	-2.2163
25	K	A	-1.5596
26	V	A	-0.9113
27	C	A	0.0000
28	Y	A	-2.0170
29	D	A	-2.4385