Project name: adc8fae5d9213ed

Chain sequence(s)	B: SAELKEAIDRMEKAAAIAEQWAKEHPELAEHLAKMKAFYEAKKQEWEAVM
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                                          (00:01:41)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:41)

• Minimal score value: -4.2632
• Maximal score value: 1.1959
• Average score: -1.9183
• Total score value: -95.9126

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	-1.1439
2	A	B	-1.7970
3	E	B	-2.8774
4	L	B	-2.1787
5	K	B	-3.5611
6	E	B	-3.8817
7	A	B	-3.0096
8	I	B	0.0000
9	D	B	-4.2632
10	R	B	-3.9723
11	M	B	-2.8579
12	E	B	-3.4515
13	K	B	-3.0283
14	A	B	-1.6497
15	A	B	-1.3792
16	A	B	-0.9943
17	I	B	0.1109
18	A	B	0.0000
19	E	B	-1.6662
20	Q	B	-1.4612
21	W	B	-0.9554
22	A	B	-2.3649
23	K	B	-3.1066
24	E	B	-3.2409
25	H	B	-2.9349
26	P	B	-2.5753
27	E	B	-2.8361
28	L	B	-2.1916
29	A	B	-2.7799
30	E	B	-3.0938
31	H	B	-2.5696
32	L	B	0.0000
33	A	B	-1.7292
34	K	B	-2.1645
35	M	B	-1.0263
36	K	B	-1.3899
37	A	B	-0.6921
38	F	B	0.4448
39	Y	B	-1.4662
40	E	B	-2.4480
41	A	B	-1.5541
42	K	B	-1.9347
43	K	B	-2.7214
44	Q	B	-2.8813
45	E	B	-2.4949
46	W	B	-1.5208
47	E	B	-1.8893
48	A	B	-0.5336
49	V	B	1.1959
50	M	B	0.6043