Project name: pg tag

Chain sequence(s)	A: MIIRPLHDRVKKEVETKSAGGIVLTGSAAAKSTRGVLAV
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                                          (00:00:18)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:18)

• Minimal score value: -2.932
• Maximal score value: 2.9467
• Average score: -0.255
• Total score value: -9.9468

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	M	A	2.3378
2	I	A	2.9467
3	I	A	2.5301
4	R	A	-0.0056
5	P	A	-0.4233
6	L	A	0.0541
7	H	A	-1.7199
8	D	A	-2.4517
9	R	A	-2.5792
10	V	A	-1.2053
11	K	A	-2.7575
12	K	A	-2.9320
13	E	A	-2.5799
14	V	A	-1.0335
15	E	A	-2.0645
16	T	A	-0.7155
17	K	A	-0.8868
18	S	A	-0.2155
19	A	A	-0.4096
20	G	A	-0.1260
21	G	A	0.2727
22	I	A	2.0536
23	V	A	1.7296
24	L	A	1.0110
25	T	A	0.3722
26	G	A	-0.3326
27	S	A	-0.8036
28	A	A	-0.5517
29	A	A	-0.3759
30	A	A	-0.7710
31	K	A	-2.2469
32	S	A	-1.4447
33	T	A	-1.7004
34	R	A	-1.8107
35	G	A	-0.3765
36	V	A	2.0876
37	L	A	2.5958
38	A	A	2.1312
39	V	A	2.4506