Project name: query_structure

Chain sequence(s)	A: GLPVCGETCTLGTCYTQGCTCSWPICKRN
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                                          (00:00:11)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:12)

• Minimal score value: -1.7994
• Maximal score value: 1.5955
• Average score: 0.1936
• Total score value: 5.6141

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	-0.8615
2	L	A	0.4431
3	P	A	0.4448
4	V	A	1.3841
5	C	A	0.3981
6	G	A	0.0671
7	E	A	0.0404
8	T	A	0.5508
9	C	A	0.0000
10	T	A	1.0544
11	L	A	1.5955
12	G	A	0.7243
13	T	A	0.8630
14	C	A	0.5776
15	Y	A	0.9082
16	T	A	-0.1739
17	Q	A	-1.4712
18	G	A	-1.4572
19	C	A	-0.7857
20	T	A	-0.2231
21	C	A	0.8699
22	S	A	0.7297
23	W	A	1.5704
24	P	A	1.0695
25	I	A	1.1746
26	C	A	0.0000
27	K	A	-0.5381
28	R	A	-1.5413
29	N	A	-1.7994