Project name: 126383b88cf9333

Chain sequence(s)	B: MRELMEAKEELKKKKSELEKLAPVEQMKELTKLAKKIAAVVAEIAAREAA
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                                          (00:02:03)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:04)

• Minimal score value: -4.6705
• Maximal score value: 1.026
• Average score: -1.9194
• Total score value: -95.9722

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	0.1526
2	R	B	-2.0186
3	E	B	-2.1244
4	L	B	-1.1500
5	M	B	-1.3990
6	E	B	-3.2143
7	A	B	0.0000
8	K	B	-3.0299
9	E	B	-4.1203
10	E	B	-3.8911
11	L	B	-3.3940
12	K	B	-4.6705
13	K	B	-4.6083
14	K	B	-4.4749
15	K	B	-4.6407
16	S	B	-3.7193
17	E	B	-4.3228
18	L	B	0.0000
19	E	B	-3.7865
20	K	B	-3.3294
21	L	B	-1.2963
22	A	B	-0.3698
23	P	B	-0.2476
24	V	B	1.0260
25	E	B	-1.0308
26	Q	B	-1.5003
27	M	B	0.0097
28	K	B	-1.9615
29	E	B	-2.4215
30	L	B	-1.4736
31	T	B	-2.0497
32	K	B	-3.1293
33	L	B	0.0000
34	A	B	-1.9051
35	K	B	-2.9096
36	K	B	-2.6596
37	I	B	-1.5186
38	A	B	-0.8358
39	A	B	-0.9084
40	V	B	0.0000
41	V	B	0.4339
42	A	B	-0.4937
43	E	B	-1.5018
44	I	B	-0.8796
45	A	B	-1.1055
46	A	B	-1.5557
47	R	B	-2.7559
48	E	B	-2.7330
49	A	B	-1.4315
50	A	B	-1.0262