Project name: c5ffa7a202e0a2b

Chain sequence(s)	B: APPMPKRKLIEEMRKGFEKMKEVIKEMGFEEEAEELYKKLMEKLEKMEAL
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                                          (00:02:36)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:36)

• Minimal score value: -4.5526
• Maximal score value: 0.6864
• Average score: -2.4799
• Total score value: -123.9944

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	A	B	-0.0462
2	P	B	-0.2469
3	P	B	-0.2133
4	M	B	-0.4917
5	P	B	-1.4374
6	K	B	-2.5259
7	R	B	-3.6658
8	K	B	-3.5441
9	L	B	-2.5551
10	I	B	0.0000
11	E	B	-4.5526
12	E	B	-4.3749
13	M	B	-3.1736
14	R	B	-4.1453
15	K	B	-4.4023
16	G	B	-3.1216
17	F	B	-2.6754
18	E	B	-3.5450
19	K	B	-3.3377
20	M	B	-1.8543
21	K	B	-3.1610
22	E	B	-3.0220
23	V	B	-1.1726
24	I	B	-1.5215
25	K	B	-2.8294
26	E	B	-1.9696
27	M	B	-0.1569
28	G	B	-0.8958
29	F	B	-1.2367
30	E	B	-3.3718
31	E	B	-3.8714
32	E	B	-3.8042
33	A	B	0.0000
34	E	B	-4.1786
35	E	B	-4.3173
36	L	B	-2.7431
37	Y	B	-3.3907
38	K	B	-3.8474
39	K	B	-3.7048
40	L	B	-2.8692
41	M	B	-3.2284
42	E	B	-4.1419
43	K	B	-3.6653
44	L	B	0.0000
45	E	B	-3.7237
46	K	B	-3.0168
47	M	B	-1.5897
48	E	B	-2.4609
49	A	B	-0.8810
50	L	B	0.6864