Project name: liraglutide_agg

Chain sequence(s)	A: HAEGTFTSDVSSYLEGQAAKEFIAWLVKGRG
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                                          (00:00:32)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:32)

• Minimal score value: -2.7912
• Maximal score value: 1.9931
• Average score: -0.2546
• Total score value: -7.8924

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	H	A	-0.8119
2	A	A	-1.4246
3	E	A	-2.5089
4	G	A	-0.7537
5	T	A	0.3864
6	F	A	1.9931
7	T	A	0.7745
8	S	A	0.3566
9	D	A	-0.2119
10	V	A	1.8282
11	S	A	1.3710
12	S	A	1.1768
13	Y	A	1.7591
14	L	A	1.6241
15	E	A	-0.0918
16	G	A	-0.6571
17	Q	A	-1.6394
18	A	A	-1.1256
19	A	A	0.0000
20	K	A	-2.7912
21	E	A	-1.7920
22	F	A	-0.1993
23	I	A	-0.3996
24	A	A	-0.2553
25	W	A	0.4030
26	L	A	0.1405
27	V	A	0.4618
28	K	A	-1.0769
29	G	A	-1.2758
30	R	A	-1.9243
31	G	A	-1.2282