Project name: 4ba7dff0b82d35a

Chain sequence(s)	B: MAELMEAMKILKEYKSKLEAAKTPEEVLELWKELVEKAKEIKELIEKAKK
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                                          (00:02:37)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:37)

• Minimal score value: -4.1201
• Maximal score value: 0.9225
• Average score: -1.8345
• Total score value: -91.7252

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	0.9225
2	A	B	0.3386
3	E	B	-0.8559
4	L	B	-0.0201
5	M	B	0.6730
6	E	B	-1.2655
7	A	B	0.0000
8	M	B	-0.6481
9	K	B	-2.4647
10	I	B	0.0000
11	L	B	-1.6773
12	K	B	-3.3163
13	E	B	-3.0497
14	Y	B	0.0000
15	K	B	-3.2528
16	S	B	-2.7561
17	K	B	-2.9340
18	L	B	-1.9127
19	E	B	-2.5982
20	A	B	-1.8992
21	A	B	-2.0862
22	K	B	-2.4149
23	T	B	-1.6173
24	P	B	-1.3080
25	E	B	-2.1573
26	E	B	-2.0372
27	V	B	-0.5688
28	L	B	-0.0923
29	E	B	-1.9232
30	L	B	-1.1188
31	W	B	0.0914
32	K	B	-1.8179
33	E	B	-2.0932
34	L	B	-1.1560
35	V	B	-1.2093
36	E	B	-3.1271
37	K	B	-2.5722
38	A	B	-2.5042
39	K	B	-3.8685
40	E	B	-3.8248
41	I	B	-2.7606
42	K	B	-3.8275
43	E	B	-4.1201
44	L	B	0.0000
45	I	B	-2.1449
46	E	B	-3.3002
47	K	B	-3.1963
48	A	B	-2.1138
49	K	B	-3.1071
50	K	B	-3.0324