Project name: FnBP

Chain sequence(s)	A: GGGQVTTESNLVEFDEESTKGIVTGAVSDHTTVEDTK
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:21)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:22)

• Minimal score value: -3.4795
• Maximal score value: 2.2687
• Average score: -0.7186
• Total score value: -26.5872

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
2	G	A	-0.9478
3	G	A	-1.0166
4	G	A	-0.9080
5	Q	A	-0.7756
6	V	A	0.7199
7	T	A	-0.1695
8	T	A	-0.7208
9	E	A	-1.8538
10	S	A	-0.9788
11	N	A	-0.8203
12	L	A	1.1911
13	V	A	1.5942
14	E	A	-0.4116
15	F	A	0.0868
16	D	A	-2.5220
17	E	A	-3.4795
18	E	A	-3.2494
19	S	A	-2.2671
20	T	A	-1.5942
21	K	A	-1.7515
22	G	A	0.0753
23	I	A	2.1845
24	V	A	2.2687
25	T	A	1.2668
26	G	A	0.6223
27	A	A	0.6159
28	V	A	1.0206
29	S	A	-0.6150
30	D	A	-1.9814
31	H	A	-1.5075
32	T	A	-0.8346
33	T	A	-0.5964
34	V	A	0.1874
35	E	A	-2.1057
36	D	A	-2.7191
37	T	A	-2.0928
38	K	A	-2.5017