Project name: f2f40979ef3168bc046e004127da1a52

Chain sequence(s)	B: LEEALELAKELSKSKNPNARAYARTAAELVRIALEKGYKDPKEAPGAEFAIRLLEKALEAAKDDPEAKKLAEEAIEALRAGSGC
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with B chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:04:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:02)

• Minimal score value: -4.0412
• Maximal score value: 0.4795
• Average score: -1.7161
• Total score value: -144.1501

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	L	B	0.0000
2	E	B	-1.8229
3	E	B	-2.0772
4	A	B	0.0000
5	L	B	-2.1083
6	E	B	-2.9158
7	L	B	-2.3151
8	A	B	0.0000
9	K	B	-3.4733
10	E	B	-3.4322
11	L	B	0.0000
12	S	B	0.0000
13	K	B	-3.3985
14	S	B	-3.0396
15	K	B	-2.7309
16	N	B	-2.5567
17	P	B	-1.9071
18	N	B	-2.2228
19	A	B	0.0000
20	R	B	-2.9435
21	A	B	-1.6066
22	Y	B	-1.3423
23	A	B	0.0000
24	R	B	-2.8102
25	T	B	-1.1417
26	A	B	0.0000
27	A	B	0.0000
28	E	B	-1.4455
29	L	B	-0.4445
30	V	B	0.0000
31	R	B	-1.5516
32	I	B	-0.7921
33	A	B	0.0000
34	L	B	-1.9955
35	E	B	-2.6592
36	K	B	-2.7553
37	G	B	-2.2151
38	Y	B	-2.5815
39	K	B	-3.5066
40	D	B	-3.8382
41	P	B	0.0000
42	K	B	-4.0412
43	E	B	-3.6643
44	A	B	0.0000
45	P	B	-1.0203
46	G	B	-0.6066
47	A	B	0.0000
48	E	B	-2.0278
49	F	B	0.2307
50	A	B	0.0000
51	I	B	-1.7790
52	R	B	-1.9661
53	L	B	0.0000
54	L	B	0.0000
55	E	B	-2.8203
56	K	B	-2.5199
57	A	B	0.0000
58	L	B	-3.1391
59	E	B	-3.3648
60	A	B	-2.6249
61	A	B	0.0000
62	K	B	-3.7843
63	D	B	-3.3888
64	D	B	-2.9370
65	P	B	-2.6288
66	E	B	-3.3954
67	A	B	0.0000
68	K	B	-3.7750
69	K	B	-3.3181
70	L	B	-2.8373
71	A	B	0.0000
72	E	B	-3.6399
73	E	B	-3.1910
74	A	B	0.0000
75	I	B	0.0000
76	E	B	-3.3138
77	A	B	-2.2688
78	L	B	0.0000
79	R	B	-3.3326
80	A	B	-1.9655
81	G	B	-2.2317
82	S	B	-1.4225
83	G	B	-0.2257
84	C	B	0.4795