Project name: query_structure

Chain sequence(s)	A: GIPCAESCVYIPCTITALLGCSCKNKVCYN
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                                          (00:00:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:16)

• Minimal score value: -2.3291
• Maximal score value: 2.7714
• Average score: 0.4915
• Total score value: 14.7442

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	-0.0720
2	I	A	1.4408
3	P	A	0.3937
4	C	A	0.6517
5	A	A	0.1998
6	E	A	0.4158
7	S	A	0.2967
8	C	A	0.7659
9	V	A	1.8502
10	Y	A	2.3194
11	I	A	1.7421
12	P	A	1.0499
13	C	A	1.4324
14	T	A	1.5004
15	I	A	2.7037
16	T	A	0.0000
17	A	A	1.6168
18	L	A	2.7714
19	L	A	2.2746
20	G	A	0.6478
21	C	A	0.0000
22	S	A	-0.6536
23	C	A	-0.6608
24	K	A	-2.3291
25	N	A	-2.2873
26	K	A	-1.4692
27	V	A	-0.6443
28	C	A	0.0000
29	Y	A	-0.5615
30	N	A	-0.6511