Project name: 30311003fcc9343

Chain sequence(s)	A: DPNLEFAREFVEEVYKEVKEKNEPITFTVNIYGETFEFTITPDEKSLKKVIRTIVDIAEVLAQQ
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                                          (00:01:03)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:03)

• Minimal score value: -4.8673
• Maximal score value: 0.2543
• Average score: -1.964
• Total score value: -125.6933

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	D	A	-2.3791
2	P	A	-1.6390
3	N	A	-1.7413
4	L	A	-2.3903
5	E	A	-2.7512
6	F	A	-1.2798
7	A	A	0.0000
8	R	A	-3.7447
9	E	A	-3.3068
10	F	A	-1.6989
11	V	A	0.0000
12	E	A	-3.6662
13	E	A	-3.7316
14	V	A	-2.4584
15	Y	A	-3.7584
16	K	A	-4.5481
17	E	A	-4.7903
18	V	A	0.0000
19	K	A	-4.8609
20	E	A	-4.8673
21	K	A	-4.8114
22	N	A	-4.6118
23	E	A	-3.8069
24	P	A	-1.9990
25	I	A	-0.8756
26	T	A	-0.4541
27	F	A	-0.2753
28	T	A	-0.9526
29	V	A	0.0000
30	N	A	-1.7916
31	I	A	0.0000
32	Y	A	0.2543
33	G	A	-0.9392
34	E	A	-1.7389
35	T	A	-1.5613
36	F	A	-1.2890
37	E	A	-1.8341
38	F	A	0.0000
39	T	A	-0.3828
40	I	A	0.0000
41	T	A	-1.9210
42	P	A	-3.5413
43	D	A	-3.5293
44	E	A	-4.1533
45	K	A	-4.1474
46	S	A	-3.3237
47	L	A	0.0000
48	K	A	-4.5858
49	K	A	-3.8995
50	V	A	0.0000
51	I	A	0.0000
52	R	A	-3.5012
53	T	A	-2.3420
54	I	A	0.0000
55	V	A	0.0000
56	D	A	-2.3008
57	I	A	-0.7929
58	A	A	0.0000
59	E	A	-2.1795
60	V	A	-0.2884
61	L	A	-0.5303
62	A	A	-0.8793
63	Q	A	-1.6432
64	Q	A	-1.4528