Project name: query_structure

Chain sequence(s)	A: GIPCGESCVFIPCLTTVAGCSCKNKVCYRN
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                                          (00:00:37)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:38)

• Minimal score value: -2.1453
• Maximal score value: 3.1339
• Average score: 0.2421
• Total score value: 7.2615

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	-0.5681
2	I	A	0.9727
3	P	A	0.1172
4	C	A	0.1929
5	G	A	-0.3336
6	E	A	0.1529
7	S	A	0.5866
8	C	A	1.2829
9	V	A	2.5025
10	F	A	3.1339
11	I	A	2.5842
12	P	A	1.5056
13	C	A	0.0000
14	L	A	1.9864
15	T	A	1.0943
16	T	A	1.0865
17	V	A	2.0088
18	A	A	0.7969
19	G	A	-0.1216
20	C	A	0.0000
21	S	A	-0.7660
22	C	A	-0.5839
23	K	A	-2.1453
24	N	A	-2.0997
25	K	A	-1.2737
26	V	A	-0.8037
27	C	A	0.0000
28	Y	A	-0.8604
29	R	A	-1.4943
30	N	A	-1.6925