Project name: query_structure

Chain sequence(s)	A: GIPCGESCVFIPCVTTVIGCSCKDKVCYNN
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.                                          (00:00:15)

• Minimal score value: -2.8039
• Maximal score value: 3.0084
• Average score: 0.435
• Total score value: 13.0491

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	-0.2795
2	I	A	1.3165
3	P	A	0.3106
4	C	A	0.5002
5	G	A	-0.2877
6	E	A	0.0284
7	S	A	0.3286
8	C	A	0.9957
9	V	A	2.2922
10	F	A	2.9381
11	I	A	2.2039
12	P	A	1.3492
13	C	A	0.0000
14	V	A	2.4244
15	T	A	1.9562
16	T	A	1.9092
17	V	A	3.0084
18	I	A	2.8742
19	G	A	0.9461
20	C	A	0.0000
21	S	A	-0.4657
22	C	A	-0.7798
23	K	A	-2.6426
24	D	A	-2.8039
25	K	A	-1.7183
26	V	A	-1.0884
27	C	A	0.0000
28	Y	A	-0.6083
29	N	A	-0.3740
30	N	A	-1.2846