Project name: A1D

Chain sequence(s)	A: ASNPYVEPRGSGDAARNPVKY
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                                          (00:00:18)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:18)

• Minimal score value: -1.9747
• Maximal score value: 1.4447
• Average score: -0.4315
• Total score value: -9.0616

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	A	A	0.0201
2	S	A	-0.4090
3	N	A	-1.2361
4	P	A	-0.2232
5	Y	A	1.4447
6	V	A	0.8581
7	E	A	-1.6866
8	P	A	-0.9162
9	R	A	-1.9747
10	G	A	-0.8394
11	S	A	-0.3808
12	G	A	-0.8251
13	D	A	-1.8639
14	A	A	-0.2634
15	A	A	-0.2792
16	R	A	-1.8361
17	N	A	0.0000
18	P	A	0.0621
19	V	A	1.4234
20	K	A	-1.1496
21	Y	A	1.0133