Project name: 1129345cf979b0a

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

• Minimal score value: -4.0415
• Maximal score value: 0.4673
• Average score: -1.8118
• Total score value: -90.5917

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	0.0642
2	E	B	-2.0797
3	N	B	-2.3992
4	L	B	-1.3767
5	M	B	-1.0400
6	K	B	-2.7161
7	A	B	0.0000
8	K	B	-2.4177
9	K	B	-3.2067
10	L	B	-2.0576
11	L	B	-2.2347
12	K	B	-3.7258
13	E	B	-3.3218
14	M	B	0.0000
15	K	B	-2.9303
16	S	B	-2.1708
17	Q	B	-2.3177
18	L	B	-1.2667
19	A	B	-0.8503
20	A	B	-0.9603
21	A	B	-1.6317
22	K	B	-2.1237
23	T	B	-1.5471
24	P	B	-1.5521
25	E	B	-2.4796
26	E	B	-2.3889
27	V	B	-0.7302
28	L	B	-0.7222
29	E	B	-2.1630
30	L	B	0.0000
31	W	B	-0.0587
32	K	B	-1.7330
33	Q	B	-1.5396
34	L	B	-0.8672
35	V	B	-1.2142
36	E	B	-2.8587
37	V	B	0.0000
38	A	B	-2.3509
39	K	B	-3.6946
40	E	B	-3.7308
41	I	B	-2.9623
42	K	B	-4.0322
43	E	B	-4.0415
44	L	B	-2.3102
45	I	B	-1.3671
46	E	B	-2.7971
47	K	B	-2.4198
48	A	B	-0.5509
49	L	B	0.4673
50	A	B	-0.1838