Project name: D2K

Chain sequence(s)	A: DAARNPVKYGSGGSGKQSSRVPLY
Selected Chain(s)	A
Distance of aggregation	5 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                                          (00:00:11)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:11)

• Minimal score value: -2.0092
• Maximal score value: 1.7707
• Average score: -0.3356
• Total score value: -8.0551

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	D	A	-1.7799
2	A	A	-0.2582
3	A	A	-0.2577
4	R	A	-1.9169
5	N	A	-0.8389
6	P	A	-0.0857
7	V	A	1.4220
8	K	A	-1.1435
9	Y	A	0.9238
10	G	A	-0.3044
11	S	A	-0.3845
12	G	A	-0.5895
13	G	A	-0.5913
14	S	A	-0.3870
15	G	A	-0.8169
16	K	A	-2.0092
17	Q	A	-1.5552
18	S	A	-0.4740
19	S	A	-0.5899
20	R	A	-1.5636
21	V	A	1.3946
22	P	A	0.3474
23	L	A	1.7707
24	Y	A	1.6327