Project name: bc20f633fe51b7d

Chain sequence(s)	B: MMDEIMKKTEEIKKLMKEAYEALKKDPEEAEKKLKEVKKAMKELKKLIEK
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                                          (00:02:39)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:39)

• Minimal score value: -4.1029
• Maximal score value: 0.7303
• Average score: -2.4009
• Total score value: -120.0455

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	0.7303
2	M	B	0.5037
3	D	B	-1.8871
4	E	B	-2.0020
5	I	B	-1.0119
6	M	B	-1.2909
7	K	B	-3.3107
8	K	B	-2.8650
9	T	B	-2.4444
10	E	B	-3.8538
11	E	B	-3.5727
12	I	B	0.0000
13	K	B	-4.0218
14	K	B	-3.9721
15	L	B	-3.2215
16	M	B	-2.3172
17	K	B	-2.9853
18	E	B	-2.8920
19	A	B	0.0000
20	Y	B	-1.0761
21	E	B	-2.5812
22	A	B	0.0000
23	L	B	-1.8129
24	K	B	-2.7431
25	K	B	-3.2381
26	D	B	-3.1653
27	P	B	-2.8243
28	E	B	-3.6808
29	E	B	-3.9382
30	A	B	0.0000
31	E	B	-3.6597
32	K	B	-4.0148
33	K	B	-3.5400
34	L	B	-2.6751
35	K	B	-4.0147
36	E	B	-3.7243
37	V	B	0.0000
38	K	B	-3.6625
39	K	B	-4.1029
40	A	B	0.0000
41	M	B	-2.7691
42	K	B	-3.6986
43	E	B	-3.1158
44	L	B	-2.5390
45	K	B	-3.1318
46	K	B	-3.1586
47	L	B	-1.4573
48	I	B	-0.3848
49	E	B	-2.6191
50	K	B	-2.3030