Project name: 36b89671e38054b

Chain sequence(s)	A: AEEKIREVAERTLAVFKRRVEVLEPALSVSKEEAEAELERTAEGTTEVLLRRYEVLKDAMSEEEFIERAAREIWEALSGVLNEISE
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                                          (00:02:45)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:46)

• Minimal score value: -4.3957
• Maximal score value: 0.2735
• Average score: -1.8034
• Total score value: -155.0915

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	A	-2.9466
2	E	A	-3.8334
3	E	A	-3.7819
4	K	A	-3.7998
5	I	A	0.0000
6	R	A	-4.1961
7	E	A	-4.3957
8	V	A	-3.0857
9	A	A	0.0000
10	E	A	-4.0048
11	R	A	-3.0817
12	T	A	0.0000
13	L	A	-2.0791
14	A	A	-1.7407
15	V	A	-0.7790
16	F	A	0.0000
17	K	A	-2.5945
18	R	A	-2.6463
19	R	A	-2.1398
20	V	A	0.0000
21	E	A	-2.8393
22	V	A	-0.3297
23	L	A	-0.7310
24	E	A	-1.6884
25	P	A	-0.6716
26	A	A	-0.4961
27	L	A	-0.9892
28	S	A	-1.0244
29	V	A	-1.0255
30	S	A	-1.8483
31	K	A	-2.9546
32	E	A	-3.5152
33	E	A	-3.2919
34	A	A	0.0000
35	E	A	-3.3740
36	A	A	-3.0067
37	E	A	-2.9886
38	L	A	0.0000
39	E	A	-4.0787
40	R	A	-3.7370
41	T	A	-2.3944
42	A	A	0.0000
43	E	A	-3.3290
44	G	A	-1.5214
45	T	A	-0.8241
46	T	A	0.0000
47	E	A	-0.8525
48	V	A	0.2735
49	L	A	0.0000
50	L	A	-1.4934
51	R	A	-2.0542
52	R	A	-1.0869
53	Y	A	0.0000
54	E	A	-2.4698
55	V	A	-0.3084
56	L	A	-1.1272
57	K	A	-2.9711
58	D	A	-2.5191
59	A	A	-1.0060
60	M	A	-1.4166
61	S	A	-2.1122
62	E	A	-3.3063
63	E	A	-3.5723
64	E	A	-3.2141
65	F	A	0.0000
66	I	A	0.0000
67	E	A	-3.8701
68	R	A	-3.2492
69	A	A	0.0000
70	A	A	-2.5106
71	R	A	-3.0715
72	E	A	-2.2032
73	I	A	0.0000
74	W	A	-0.8055
75	E	A	-1.9040
76	A	A	-0.9886
77	L	A	0.0000
78	S	A	-1.0973
79	G	A	-1.3403
80	V	A	-1.3882
81	L	A	0.0000
82	N	A	-2.5371
83	E	A	-2.8388
84	I	A	-1.8496
85	S	A	-1.9142
86	E	A	-2.5225