Project name: D1K

Chain sequence(s)	A: DAARNPVKYGSGKQSSRVPLY
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]                                                (00:00:00)
[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                                          (00:00:12)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:13)

• Minimal score value: -2.0117
• Maximal score value: 1.7464
• Average score: -0.2774
• Total score value: -5.8247

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	-1.7806
2	A	A	-0.1600
3	A	A	-0.2569
4	R	A	-1.9000
5	N	A	-0.7465
6	P	A	-0.0243
7	V	A	1.4223
8	K	A	-1.1450
9	Y	A	0.9931
10	G	A	0.0403
11	S	A	-0.3360
12	G	A	-0.8209
13	K	A	-2.0117
14	Q	A	-1.5600
15	S	A	-0.4746
16	S	A	-0.5923
17	R	A	-1.5589
18	V	A	1.3897
19	P	A	0.3469
20	L	A	1.7464
21	Y	A	1.6043