Project name: e00028eb8cca754

Chain sequence(s)	A: VLSEGEWQLVLHVWAKVEADVAGHGQDILIRLFKSHPETLEKFDRFKHLKTEAEMKASEDLKKHGVTVLTALGAILK
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:41)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:42)

• Minimal score value: -4.1311
• Maximal score value: 1.9933
• Average score: -1.179
• Total score value: -90.7849

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	V	A	1.9933
2	L	A	1.0423
3	S	A	-0.6810
4	E	A	-2.0321
5	G	A	-1.8172
6	E	A	-1.5145
7	W	A	-0.4551
8	Q	A	-1.1036
9	L	A	0.3830
10	V	A	0.6861
11	L	A	-0.0605
12	H	A	-0.3371
13	V	A	0.4989
14	W	A	0.0000
15	A	A	-0.7364
16	K	A	-1.7894
17	V	A	-1.0547
18	E	A	-1.2306
19	A	A	-1.2708
20	D	A	-1.4937
21	V	A	-0.9699
22	A	A	-1.2050
23	G	A	-1.4224
24	H	A	-1.3090
25	G	A	0.0000
26	Q	A	0.0000
27	D	A	-2.5222
28	I	A	-1.0103
29	L	A	0.0000
30	I	A	0.0000
31	R	A	-2.8173
32	L	A	-1.5032
33	F	A	0.0000
34	K	A	-3.1520
35	S	A	-2.0532
36	H	A	-2.3907
37	P	A	-2.9139
38	E	A	-2.9093
39	T	A	-2.3466
40	L	A	0.0000
41	E	A	-4.1311
42	K	A	-3.5397
43	F	A	-2.8697
44	D	A	-3.7627
45	R	A	-3.5229
46	F	A	0.0000
47	K	A	-3.7862
48	H	A	-2.8818
49	L	A	0.0000
50	K	A	-2.9030
51	T	A	-2.4058
52	E	A	-3.1445
53	A	A	-1.8821
54	E	A	-2.5864
55	M	A	0.0000
56	K	A	-3.0984
57	A	A	-1.9401
58	S	A	-2.4371
59	E	A	-3.2524
60	D	A	-2.8239
61	L	A	0.0000
62	K	A	-2.8101
63	K	A	-2.5828
64	H	A	-1.4334
65	G	A	0.0000
66	V	A	-0.2713
67	T	A	0.1203
68	V	A	0.8907
69	L	A	0.0000
70	T	A	0.8002
71	A	A	1.1892
72	L	A	1.3878
73	G	A	0.0000
74	A	A	0.7106
75	I	A	1.7830
76	L	A	0.7097
77	K	A	-0.8129