Project name: query_structure

Chain sequence(s)	A: GIPCGESCVFIPCITAAIGCSCKSKVCYRN
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:27)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:28)

• Minimal score value: -2.0066
• Maximal score value: 2.9068
• Average score: 0.2961
• Total score value: 8.8816

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	-0.5449
2	I	A	1.0381
3	P	A	0.0962
4	C	A	0.3393
5	G	A	-0.3646
6	E	A	0.0481
7	S	A	0.3086
8	C	A	1.0084
9	V	A	1.6412
10	F	A	2.7976
11	I	A	2.9068
12	P	A	1.5706
13	C	A	0.0000
14	I	A	2.3904
15	T	A	1.3623
16	A	A	1.0818
17	A	A	1.2943
18	I	A	1.8145
19	G	A	0.2805
20	C	A	0.0000
21	S	A	-0.5803
22	C	A	-0.6005
23	K	A	-2.0066
24	S	A	-1.4058
25	K	A	-1.4585
26	V	A	-0.7366
27	C	A	0.0000
28	Y	A	-0.6696
29	R	A	-1.1468
30	N	A	-1.5829