Project name: query_structure

Chain sequence(s)	A: DTTPCGESCVWIPCVSSIVGCSCQNKVCYQN
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                                          (00:00:21)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:22)

• Minimal score value: -2.6089
• Maximal score value: 3.0511
• Average score: 0.0561
• Total score value: 1.7402

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	D	A	-2.6089
2	T	A	-1.3964
3	T	A	-1.0823
4	P	A	-0.8803
5	C	A	-0.2552
6	G	A	-0.5718
7	E	A	0.0506
8	S	A	0.2597
9	C	A	0.8659
10	V	A	1.3165
11	W	A	2.2324
12	I	A	2.6118
13	P	A	1.4006
14	C	A	0.0000
15	V	A	2.5419
16	S	A	1.8211
17	S	A	1.7576
18	I	A	3.0511
19	V	A	2.5515
20	G	A	0.8484
21	C	A	0.0000
22	S	A	-0.4947
23	C	A	-0.7554
24	Q	A	-1.8399
25	N	A	-2.0317
26	K	A	-1.5537
27	V	A	-0.7416
28	C	A	0.0000
29	Y	A	-1.4859
30	Q	A	-1.6749
31	N	A	-2.1962