Project name: liraglutide_agg2

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]                                                (00:00:04)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:04)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:04)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:04)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:04)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:17)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:18)

• Minimal score value: -2.4113
• Maximal score value: 1.7763
• Average score: -0.3611
• Total score value: -11.1954

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	-1.5039
2	A	A	-1.1919
3	E	A	-2.2763
4	G	A	-1.6204
5	T	A	-0.7852
6	F	A	0.7494
7	T	A	0.1079
8	S	A	0.0913
9	D	A	-0.3803
10	V	A	1.7025
11	S	A	1.2003
12	S	A	0.7863
13	Y	A	1.7763
14	L	A	1.6264
15	E	A	-0.0991
16	G	A	-0.5317
17	Q	A	-1.4996
18	A	A	-1.1011
19	A	A	0.0000
20	K	A	-2.4113
21	E	A	-1.6956
22	F	A	-0.0531
23	I	A	-0.1932
24	A	A	0.2604
25	W	A	0.6703
26	L	A	0.2494
27	V	A	0.6135
28	K	A	-1.1147
29	G	A	-1.2497
30	R	A	-1.8878
31	G	A	-1.4345