Project name: 6620b258b4dd51b

Chain sequence(s)	A: MELKNSISDYTETEFKKIIEDIINCEGDEKKQDDNLEHFISVTEHPSGSDLIYYPEGNNDGSPEAVIKEIKEWRAANGKSGFKQG
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                                          (00:01:57)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:58)

• Minimal score value: -4.6973
• Maximal score value: 1.3179
• Average score: -1.4395
• Total score value: -122.3597

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	-1.4852
2	E	A	-2.0822
3	L	A	-1.0537
4	K	A	-1.7895
5	N	A	-2.1539
6	S	A	-1.6792
7	I	A	0.0000
8	S	A	-1.8774
9	D	A	-2.5856
10	Y	A	0.0000
11	T	A	-1.6915
12	E	A	-2.0140
13	T	A	-1.5954
14	E	A	-2.0429
15	F	A	0.0000
16	K	A	-1.9132
17	K	A	-2.3146
18	I	A	0.0000
19	I	A	0.0000
20	E	A	-2.0893
21	D	A	0.0000
22	I	A	0.0000
23	I	A	-0.1584
24	N	A	-1.4552
25	C	A	-2.2631
26	E	A	-2.9221
27	G	A	-3.4932
28	D	A	-4.1034
29	E	A	-4.6973
30	K	A	-4.6410
31	K	A	-4.0412
32	Q	A	-3.8416
33	D	A	-4.4732
34	D	A	-3.9457
35	N	A	0.0000
36	L	A	-1.7930
37	E	A	-2.2103
38	H	A	0.0000
39	F	A	0.0000
40	I	A	0.2013
41	S	A	-0.8510
42	V	A	0.0000
43	T	A	0.0000
44	E	A	-1.5777
45	H	A	0.0000
46	P	A	-0.6096
47	S	A	-0.3141
48	G	A	0.0000
49	S	A	-0.0544
50	D	A	-0.3124
51	L	A	-0.1183
52	I	A	0.6921
53	Y	A	1.3179
54	Y	A	1.0251
55	P	A	-0.7857
56	E	A	-2.1766
57	G	A	-2.1278
58	N	A	-2.2653
59	N	A	-2.5918
60	D	A	-2.9982
61	G	A	-1.6319
62	S	A	-1.5383
63	P	A	-1.9180
64	E	A	-2.7739
65	A	A	0.0000
66	V	A	0.0000
67	I	A	0.0000
68	K	A	-2.6232
69	E	A	-2.0497
70	I	A	0.0000
71	K	A	-2.0070
72	E	A	-2.5991
73	W	A	-1.7846
74	R	A	-1.8817
75	A	A	-1.3810
76	A	A	-1.1863
77	N	A	-1.5237
78	G	A	-1.3313
79	K	A	-1.5524
80	S	A	-1.2208
81	G	A	-1.7095
82	F	A	0.0000
83	K	A	-2.3104
84	Q	A	-1.9510
85	G	A	-1.4331