Project name: query_structure

Chain sequence(s)	A: GLPTCGETCTLGKCNTPKCTCNWPICYKD
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                                          (00:00:51)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:52)

• Minimal score value: -2.6174
• Maximal score value: 1.1512
• Average score: -0.5811
• Total score value: -16.8509

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	0.2348
2	L	A	1.0692
3	P	A	-0.2192
4	T	A	-0.1364
5	C	A	-0.7060
6	G	A	-0.3638
7	E	A	-0.8520
8	T	A	-0.0927
9	C	A	0.0000
10	T	A	0.5465
11	L	A	1.1512
12	G	A	-0.0901
13	K	A	-1.4695
14	C	A	-1.3213
15	N	A	-1.8858
16	T	A	-1.4903
17	P	A	-1.6527
18	K	A	-2.6174
19	C	A	-2.0853
20	T	A	-1.1397
21	C	A	-0.1982
22	N	A	-0.3938
23	W	A	0.8989
24	P	A	0.6428
25	I	A	0.5228
26	C	A	0.0000
27	Y	A	-0.5166
28	K	A	-2.0856
29	D	A	-2.6007