Project name: 951f8553f880933

Chain sequence(s)	B: PVFRVVAYDEFGNEVASAEGTTREEAIEAARKVGAVAGTSPLPVTIKVYVDGELIAEAEGAGVGAPKAAEEAVEEAFEKL
Selected Chain(s)	B
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 B 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                                          (00:01:31)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:32)

• Minimal score value: -3.6635
• Maximal score value: 1.2473
• Average score: -1.0549
• Total score value: -84.3931

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	P	B	-0.5057
2	V	B	-0.8709
3	F	B	0.0000
4	R	B	-1.7762
5	V	B	0.0000
6	V	B	0.0000
7	A	B	0.0000
8	Y	B	-1.4737
9	D	B	-1.1529
10	E	B	-1.3636
11	F	B	0.1274
12	G	B	-1.0728
13	N	B	-1.8905
14	E	B	-2.1492
15	V	B	-0.4136
16	A	B	-0.4251
17	S	B	-1.0818
18	A	B	-2.0099
19	E	B	-2.3075
20	G	B	0.0000
21	T	B	-1.2657
22	T	B	-1.6512
23	R	B	-2.3415
24	E	B	-3.0888
25	E	B	-3.2017
26	A	B	0.0000
27	I	B	-3.1949
28	E	B	-3.6635
29	A	B	0.0000
30	A	B	0.0000
31	R	B	-3.4693
32	K	B	-2.7384
33	V	B	0.0000
34	G	B	0.0000
35	A	B	-0.6274
36	V	B	0.3986
37	A	B	0.0000
38	G	B	0.1546
39	T	B	0.5120
40	S	B	0.5449
41	P	B	0.5122
42	L	B	0.6984
43	P	B	-0.5051
44	V	B	0.0000
45	T	B	-1.6275
46	I	B	0.0000
47	K	B	-1.2531
48	V	B	0.0000
49	Y	B	-1.3448
50	V	B	0.0000
51	D	B	-2.2915
52	G	B	-1.9565
53	E	B	-2.0586
54	L	B	-0.7314
55	I	B	-0.9798
56	A	B	0.0000
57	E	B	-2.6103
58	A	B	-2.5705
59	E	B	-2.4773
60	G	B	-0.9184
61	A	B	-0.0068
62	G	B	0.8768
63	V	B	1.2473
64	G	B	-0.2098
65	A	B	0.0000
66	P	B	-1.8321
67	K	B	-2.5587
68	A	B	0.0000
69	A	B	0.0000
70	E	B	-2.9326
71	E	B	-3.3276
72	A	B	0.0000
73	V	B	0.0000
74	E	B	-3.1347
75	E	B	-3.5859
76	A	B	0.0000
77	F	B	-1.8039
78	E	B	-2.8053
79	K	B	-2.2488
80	L	B	0.0415