Project name: query_structure

Chain sequence(s)	A: NGLPVCGETCVGGTCNTPGCKCSWPVCTR
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                                          (00:00:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:05)

• Minimal score value: -2.1898
• Maximal score value: 1.5688
• Average score: -0.2543
• Total score value: -7.374

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	N	A	-1.1533
2	G	A	-0.1355
3	L	A	1.4277
4	P	A	1.3501
5	V	A	1.5688
6	C	A	0.3656
7	G	A	-0.6732
8	E	A	-1.3537
9	T	A	-0.0238
10	C	A	0.0000
11	V	A	1.2456
12	G	A	0.1899
13	G	A	0.1723
14	T	A	-0.0378
15	C	A	-0.5946
16	N	A	-1.6519
17	T	A	-1.2049
18	P	A	-0.9805
19	G	A	-1.3202
20	C	A	-1.6190
21	K	A	-2.1898
22	C	A	-1.0075
23	S	A	0.1355
24	W	A	1.2685
25	P	A	0.7847
26	V	A	0.6723
27	C	A	0.0000
28	T	A	-0.5554
29	R	A	-2.0539