Project name: Ab1-42_0ns

Chain sequence(s)	A: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA
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]                                                (00:00:01)
[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                                          (00:00:18)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:18)

• Minimal score value: -3.1204
• Maximal score value: 3.7219
• Average score: -0.0795
• Total score value: -3.2602

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	-2.2755
2	A	A	-1.9570
3	E	A	-2.4735
4	F	A	-0.9341
5	R	A	-2.8661
6	H	A	-3.1204
7	D	A	-2.7946
8	S	A	-1.7438
9	G	A	-1.7197
10	Y	A	-1.2060
11	E	A	-2.2998
12	V	A	-0.6407
13	H	A	-0.7281
14	H	A	-1.2666
15	Q	A	-0.5288
16	K	A	0.3054
17	L	A	1.9861
18	V	A	2.2114
19	F	A	2.2805
20	F	A	2.1358
21	A	A	0.6114
22	E	A	-1.0443
23	D	A	-1.6643
24	V	A	-1.1436
25	G	A	-2.0515
26	S	A	-2.2009
27	N	A	-2.5146
28	K	A	-1.6882
29	G	A	-0.9349
30	A	A	-0.1316
31	I	A	0.7154
32	I	A	1.5864
33	G	A	1.3728
34	L	A	2.3077
35	M	A	2.3943
36	V	A	3.2652
37	G	A	2.2270
38	G	A	2.4547
39	V	A	3.7219
40	V	A	3.6996
41	I	A	3.3928