Project name: liraglutide_agg3

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                                          (00:00:14)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:14)

• Minimal score value: -2.3618
• Maximal score value: 2.6106
• Average score: 0.1468
• Total score value: 4.5499

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	-1.3175
2	A	A	-1.5073
3	E	A	-2.3618
4	G	A	-0.8777
5	T	A	0.2516
6	F	A	1.9112
7	T	A	0.5636
8	S	A	0.1669
9	D	A	-0.2028
10	V	A	1.8438
11	S	A	1.2984
12	S	A	1.0767
13	Y	A	2.0898
14	L	A	1.8577
15	E	A	0.0000
16	G	A	-0.4578
17	Q	A	-0.8902
18	A	A	-0.7245
19	A	A	-1.0716
20	K	A	-1.4644
21	E	A	-0.7183
22	F	A	1.8705
23	I	A	2.6106
24	A	A	1.1077
25	W	A	1.4899
26	L	A	1.6852
27	V	A	1.4131
28	K	A	-0.8288
29	G	A	-1.2388
30	R	A	-1.8021
31	G	A	-1.2232