Project name: 76041e1ea3e3812

Chain sequence(s)	A: EELRRLLEEARRLLREAVRLKEELRRATDPDKILELWEKINEKRVELGKVLARLRELLDKADPNDPEVLNLRVELANLERALASLR
Selected Chain(s)	A
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 A 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                                          (00:02:59)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:00)

• Minimal score value: -4.1054
• Maximal score value: 0.7311
• Average score: -2.0041
• Total score value: -172.3551

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	E	A	-3.2169
2	E	A	-2.8206
3	L	A	-2.9126
4	R	A	-3.9082
5	R	A	-4.1054
6	L	A	0.0000
7	L	A	-3.0250
8	E	A	-3.8833
9	E	A	-3.1719
10	A	A	0.0000
11	R	A	-3.3508
12	R	A	-3.2771
13	L	A	0.0000
14	L	A	-2.5474
15	R	A	-3.2834
16	E	A	-2.6791
17	A	A	0.0000
18	V	A	-1.8888
19	R	A	-3.0375
20	L	A	-2.2750
21	K	A	-2.7452
22	E	A	-3.5323
23	E	A	-3.7624
24	L	A	-2.7476
25	R	A	-3.5516
26	R	A	-3.6399
27	A	A	-2.7069
28	T	A	-1.9331
29	D	A	-2.7038
30	P	A	-2.0746
31	D	A	-2.9564
32	K	A	-3.0249
33	I	A	-2.0504
34	L	A	-0.9319
35	E	A	-2.8219
36	L	A	0.0000
37	W	A	-1.0258
38	E	A	-3.0283
39	K	A	-2.8257
40	I	A	0.0000
41	N	A	-2.6483
42	E	A	-2.9487
43	K	A	-2.6334
44	R	A	-1.9617
45	V	A	-0.6232
46	E	A	-1.9415
47	L	A	0.0000
48	G	A	-1.2842
49	K	A	-2.2297
50	V	A	0.0000
51	L	A	0.0000
52	A	A	-2.2020
53	R	A	-2.3971
54	L	A	0.0000
55	R	A	-3.5819
56	E	A	-3.7485
57	L	A	-2.8040
58	L	A	0.0000
59	D	A	-3.9929
60	K	A	-3.6149
61	A	A	-3.0971
62	D	A	-3.3970
63	P	A	-2.8032
64	N	A	-2.4988
65	D	A	-2.7188
66	P	A	-2.2233
67	E	A	-2.6778
68	V	A	0.0000
69	L	A	-1.0182
70	N	A	-1.3246
71	L	A	-1.1391
72	R	A	-0.6921
73	V	A	0.7311
74	E	A	-0.4687
75	L	A	0.0000
76	A	A	-0.8193
77	N	A	-1.0040
78	L	A	0.0000
79	E	A	-1.2707
80	R	A	-2.2122
81	A	A	-1.2127
82	L	A	-0.8188
83	A	A	-1.2578
84	S	A	-1.2752
85	L	A	-1.1921
86	R	A	-1.9070