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]                                                (00:00:00)
[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                                          (00:00:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:09)

• Minimal score value: -2.6083
• Maximal score value: 3.1078
• Average score: 0.0592
• Total score value: 1.8345

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	-2.6083
2	T	A	-1.3935
3	T	A	-1.1948
4	P	A	-0.9618
5	C	A	-0.3313
6	G	A	-0.4403
7	E	A	0.1058
8	S	A	0.3107
9	C	A	0.9242
10	V	A	1.1677
11	W	A	2.2276
12	I	A	2.8196
13	P	A	1.5530
14	C	A	0.0000
15	V	A	2.5955
16	S	A	1.8446
17	S	A	1.6303
18	I	A	3.1078
19	V	A	2.5417
20	G	A	0.7326
21	C	A	0.0000
22	S	A	-0.4965
23	C	A	-0.4779
24	Q	A	-1.7458
25	N	A	-1.9556
26	K	A	-1.4741
27	V	A	-0.8349
28	C	A	0.0000
29	Y	A	-1.6447
30	Q	A	-1.8967
31	N	A	-2.2704