Project name: 8694267c84f3e33

Chain sequence(s)	A: EEIDAVREVRDLVDERGPLTDEEVAERLGIPVEVARRTLELVEEEYGKKVRKEPPIRIPPRKRPVIRIKV
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                                          (00:01:26)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:26)

• Minimal score value: -4.3306
• Maximal score value: 2.1255
• Average score: -1.6939
• Total score value: -118.576

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	-2.6715
2	E	A	-2.8161
3	I	A	-0.9277
4	D	A	-3.0953
5	A	A	-2.5911
6	V	A	-2.6618
7	R	A	-3.5829
8	E	A	-3.6560
9	V	A	0.0000
10	R	A	-3.7868
11	D	A	-4.3306
12	L	A	-3.4139
13	V	A	0.0000
14	D	A	-4.0559
15	E	A	-4.1054
16	R	A	-3.5403
17	G	A	-2.5915
18	P	A	-2.5514
19	L	A	0.0000
20	T	A	-1.7615
21	D	A	0.0000
22	E	A	-2.0284
23	E	A	-2.0577
24	V	A	0.0000
25	A	A	0.0000
26	E	A	-2.8773
27	R	A	-2.5218
28	L	A	-1.5097
29	G	A	-1.2883
30	I	A	-0.4962
31	P	A	-0.7264
32	V	A	-1.3066
33	E	A	-2.2349
34	V	A	-1.4737
35	A	A	0.0000
36	R	A	-2.7442
37	R	A	-3.0399
38	T	A	0.0000
39	L	A	0.0000
40	E	A	-2.7417
41	L	A	-2.0886
42	V	A	0.0000
43	E	A	-3.4900
44	E	A	-3.6542
45	E	A	-3.1922
46	Y	A	-2.5925
47	G	A	-2.7807
48	K	A	-3.5242
49	K	A	-3.6945
50	V	A	0.0000
51	R	A	-2.8807
52	K	A	-2.9245
53	E	A	-2.5355
54	P	A	-1.4321
55	P	A	-0.6593
56	I	A	1.0494
57	R	A	-0.0235
58	I	A	1.0657
59	P	A	-0.3754
60	P	A	-1.7623
61	R	A	-3.0083
62	K	A	-3.4218
63	R	A	-2.6638
64	P	A	-0.5981
65	V	A	1.3097
66	I	A	2.1255
67	R	A	0.2547
68	I	A	1.1691
69	K	A	-0.2879
70	V	A	1.2265