Project name: query_structure

Chain sequence(s)	A: GIPCGESCVFIPCISTVIGCSCKNKVCYRN
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                                          (00:00:17)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:18)

• Minimal score value: -2.4765
• Maximal score value: 3.0989
• Average score: 0.5043
• Total score value: 15.1297

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	-0.5363
2	I	A	1.0287
3	P	A	0.1048
4	C	A	0.5224
5	G	A	-0.3338
6	E	A	0.1400
7	S	A	0.4598
8	C	A	1.1241
9	V	A	2.3637
10	F	A	2.9371
11	I	A	2.2575
12	P	A	1.4463
13	C	A	1.7852
14	I	A	2.7207
15	S	A	2.0254
16	T	A	1.9244
17	V	A	3.0989
18	I	A	2.8520
19	G	A	0.8962
20	C	A	0.0000
21	S	A	-0.3303
22	C	A	-0.7320
23	K	A	-2.4765
24	N	A	-2.2861
25	K	A	-1.4473
26	V	A	-0.9751
27	C	A	0.0000
28	Y	A	-0.8641
29	R	A	-0.9990
30	N	A	-1.5770