Project name: query_structure

Chain sequence(s)	A: LLACLFGNGRCSSNRDCCELTPVCKRGSCVSS
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                                          (00:00:19)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:20)

• Minimal score value: -3.0326
• Maximal score value: 2.451
• Average score: -0.8618
• Total score value: -27.5786

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	L	A	2.3627
2	L	A	2.4510
3	A	A	1.1506
4	C	A	1.3566
5	L	A	1.9171
6	F	A	1.0048
7	G	A	-0.2855
8	N	A	-1.5399
9	G	A	-1.6156
10	R	A	-2.8129
11	C	A	-2.2232
12	S	A	-1.8692
13	S	A	-2.2961
14	N	A	-2.6051
15	R	A	-2.7289
16	D	A	-1.7201
17	C	A	0.0000
18	C	A	0.0000
19	E	A	-0.7691
20	L	A	0.6953
21	T	A	-0.4205
22	P	A	-1.0089
23	V	A	-1.3551
24	C	A	-2.4441
25	K	A	-3.0117
26	R	A	-3.0326
27	G	A	-2.6216
28	S	A	-2.4477
29	C	A	-1.5960
30	V	A	-0.1857
31	S	A	0.1848
32	S	A	-0.1120