Project name: apo77

Chain sequence(s)	A: MVLSEGEWQLVLHVWAKVEADVAGHGQDILIRLFKSHPETLEKFDRFKHLKTEAEMKASEDLKKHGVTVLTALGAILK
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]                                                (00:00:01)
[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 A 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                                          (00:02:45)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:46)

• Minimal score value: -4.1752
• Maximal score value: 2.178
• Average score: -1.234
• Total score value: -96.2538

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	M	A	1.9972
2	V	A	2.1780
3	L	A	0.6725
4	S	A	-0.8779
5	E	A	-2.0844
6	G	A	-1.7403
7	E	A	-1.3345
8	W	A	-0.7673
9	Q	A	-1.0593
10	L	A	0.6277
11	V	A	0.6046
12	L	A	0.0729
13	H	A	-0.2445
14	V	A	0.5855
15	W	A	0.0000
16	A	A	-0.9978
17	K	A	-2.0463
18	V	A	-1.5489
19	E	A	-1.9490
20	A	A	-1.8132
21	D	A	-2.3693
22	V	A	-1.5065
23	A	A	-1.5044
24	G	A	-1.6899
25	H	A	-1.6500
26	G	A	0.0000
27	Q	A	0.0000
28	D	A	-2.2120
29	I	A	-0.7446
30	L	A	0.0000
31	I	A	0.0000
32	R	A	-2.5616
33	L	A	-1.3253
34	F	A	0.0000
35	K	A	-2.6941
36	S	A	-1.8447
37	H	A	-2.2398
38	P	A	-2.7770
39	E	A	-2.8223
40	T	A	-2.2900
41	L	A	-3.2193
42	E	A	-4.1752
43	K	A	-3.5071
44	F	A	-2.9466
45	D	A	-3.9285
46	R	A	-3.7586
47	F	A	0.0000
48	K	A	-4.1700
49	H	A	-3.1561
50	L	A	0.0000
51	K	A	-2.9684
52	T	A	-2.3304
53	E	A	-3.0574
54	A	A	-1.8683
55	E	A	-2.3611
56	M	A	0.0000
57	K	A	-3.0126
58	A	A	-1.9490
59	S	A	-2.5640
60	E	A	-3.3711
61	D	A	-3.3144
62	L	A	0.0000
63	K	A	-2.8257
64	K	A	-2.7201
65	H	A	-1.4695
66	G	A	0.0000
67	V	A	-0.4109
68	T	A	0.0781
69	V	A	0.8125
70	L	A	0.0000
71	T	A	0.6912
72	A	A	1.1348
73	L	A	1.3708
74	G	A	0.0000
75	A	A	0.7400
76	I	A	1.8441
77	L	A	0.7968
78	K	A	-0.6813