Project name: E682K

Chain sequence(s)	A: DAEFRHDSGYKVHHQKLVFFAEDVGSNKGAIIGLMVGGVVI
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                                          (00:00:37)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:37)

• Minimal score value: -2.3906
• Maximal score value: 2.6663
• Average score: 0.0103
• Total score value: 0.4213

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	-2.0467
2	A	A	-1.2707
3	E	A	-1.7018
4	F	A	-0.2993
5	R	A	-1.5461
6	H	A	-1.4799
7	D	A	-0.9085
8	S	A	0.1713
9	G	A	0.5784
10	Y	A	0.7786
11	K	A	-0.7624
12	V	A	-0.0554
13	H	A	-0.8838
14	H	A	-1.3673
15	Q	A	-1.4491
16	K	A	-0.6576
17	L	A	1.9346
18	V	A	2.2632
19	F	A	2.6663
20	F	A	1.6734
21	A	A	-0.7242
22	E	A	-2.3906
23	D	A	-2.1279
24	V	A	-0.0972
25	G	A	-1.0658
26	S	A	-1.5323
27	N	A	-1.8046
28	K	A	-1.5466
29	G	A	0.6908
30	A	A	1.5731
31	I	A	2.3166
32	I	A	0.9507
33	G	A	-0.0255
34	L	A	0.6527
35	M	A	1.0033
36	V	A	0.9177
37	G	A	0.4029
38	G	A	0.6834
39	V	A	2.3450
40	V	A	2.6375
41	I	A	1.9251