Project name: query_structure

Chain sequence(s)	A: NGLPVCGETCVGGTCNTPGCTCSWPVCTR
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                                          (00:00:10)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:11)

• Minimal score value: -1.9817
• Maximal score value: 1.7146
• Average score: -0.1805
• Total score value: -5.2335

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	-1.8952
2	G	A	-0.8085
3	L	A	0.5627
4	P	A	0.4945
5	V	A	0.7895
6	C	A	-0.2768
7	G	A	-0.5750
8	E	A	-0.8023
9	T	A	0.2104
10	C	A	0.0000
11	V	A	1.7146
12	G	A	0.1872
13	G	A	0.0154
14	T	A	-0.3089
15	C	A	-0.4624
16	N	A	-1.6182
17	T	A	-1.2843
18	P	A	-1.0542
19	G	A	-1.2671
20	C	A	-1.1706
21	T	A	-0.7505
22	C	A	0.0146
23	S	A	0.5869
24	W	A	1.6929
25	P	A	1.2531
26	V	A	1.5004
27	C	A	0.0000
28	T	A	0.0000
29	R	A	-1.9817