Project name: query_structure

Chain sequence(s)	A: GVIPCGESCVFIPCISSVVGCTCKNKVCYRD
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                                          (00:00:24)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:24)

• Minimal score value: -2.0758
• Maximal score value: 2.8724
• Average score: 0.5309
• Total score value: 16.4591

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	-0.2574
2	V	A	1.6955
3	I	A	1.8494
4	P	A	0.5703
5	C	A	0.6587
6	G	A	-0.3320
7	E	A	0.1132
8	S	A	0.3462
9	C	A	0.9821
10	V	A	1.5561
11	F	A	2.8166
12	I	A	2.7684
13	P	A	1.6012
14	C	A	0.0000
15	I	A	2.7601
16	S	A	1.8239
17	S	A	1.7015
18	V	A	2.8724
19	V	A	2.4450
20	G	A	0.6038
21	C	A	0.0000
22	T	A	-0.4080
23	C	A	-0.5989
24	K	A	-1.7600
25	N	A	-2.0758
26	K	A	-1.5075
27	V	A	-0.9385
28	C	A	0.0000
29	Y	A	-0.3997
30	R	A	-0.8370
31	D	A	-1.5905