Project name: d93daa329093804

Chain sequence(s)	B: MSLEELAELIAQRQEAYLAEQFAQLPESEAGRHVWVSGGEVIARSTVVIL
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]                                                (00:00:02)
[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 B 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                                          (00:00:26)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:27)

• Minimal score value: -2.7531
• Maximal score value: 2.2964
• Average score: -0.586
• Total score value: -29.2987

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	M	B	0.7468
2	S	B	-0.1000
3	L	B	0.3305
4	E	B	-1.7195
5	E	B	-1.6675
6	L	B	0.0044
7	A	B	-0.8371
8	E	B	-2.2229
9	L	B	-0.8900
10	I	B	-0.2387
11	A	B	-1.4590
12	Q	B	-2.4296
13	R	B	-2.5615
14	Q	B	-2.4037
15	E	B	-2.7531
16	A	B	-1.6988
17	Y	B	-0.7770
18	L	B	-0.8870
19	A	B	-1.2278
20	E	B	-1.8885
21	Q	B	-1.2065
22	F	B	-0.4071
23	A	B	-0.9510
24	Q	B	-1.7941
25	L	B	-1.1517
26	P	B	-1.5317
27	E	B	-1.8002
28	S	B	-1.7127
29	E	B	-2.0609
30	A	B	-0.5701
31	G	B	-0.9166
32	R	B	-1.9899
33	H	B	-1.0082
34	V	B	0.5937
35	W	B	1.5261
36	V	B	1.8408
37	S	B	0.4949
38	G	B	-0.5674
39	G	B	-0.6263
40	E	B	-0.4392
41	V	B	1.6741
42	I	B	2.2964
43	A	B	0.8229
44	R	B	-1.0390
45	S	B	-1.0183
46	T	B	-0.3713
47	V	B	0.9087
48	V	B	2.1916
49	I	B	1.9523
50	L	B	2.2420