Project name: 2_rank

Chain sequence(s)	B: SLEALVYELMEKMYFDPWEAWKINGGSRRVTHMTGKEVYEIARKVAEERLKKEE
Selected Chain(s)	B
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 B 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                                          (00:01:53)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:54)

• Minimal score value: -4.6349
• Maximal score value: 1.1775
• Average score: -1.4711
• Total score value: -79.44

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	S	B	-0.4170
2	L	B	-0.7995
3	E	B	-1.6634
4	A	B	-0.6371
5	L	B	-0.7100
6	V	B	0.0000
7	Y	B	-0.3728
8	E	B	-1.8661
9	L	B	0.0000
10	M	B	-0.7317
11	E	B	-1.7888
12	K	B	-1.2346
13	M	B	0.0000
14	Y	B	-0.0171
15	F	B	1.1775
16	D	B	-0.1791
17	P	B	-0.4740
18	W	B	0.3052
19	E	B	-0.7872
20	A	B	0.0000
21	W	B	-1.0920
22	K	B	-1.6173
23	I	B	-0.8300
24	N	B	-1.2150
25	G	B	-1.3196
26	G	B	-1.4192
27	S	B	-1.9033
28	R	B	-3.0371
29	R	B	-3.0184
30	V	B	0.0000
31	T	B	-1.0609
32	H	B	-1.9149
33	M	B	-1.4038
34	T	B	-1.3179
35	G	B	-1.6869
36	K	B	-2.4598
37	E	B	-2.3540
38	V	B	0.0000
39	Y	B	-0.9982
40	E	B	-1.8174
41	I	B	-1.1047
42	A	B	0.0000
43	R	B	-2.1002
44	K	B	-2.6678
45	V	B	-1.8461
46	A	B	0.0000
47	E	B	-3.1714
48	E	B	-3.8438
49	R	B	-3.7390
50	L	B	-3.0178
51	K	B	-4.5054
52	K	B	-4.6349
53	E	B	-4.3356
54	E	B	-3.8119