Project name: 863c281134317ce

Chain sequence(s)	A: MASYYEILDVPRSASADDIKKAYRRKALQWHPDKNPDNKEFAEKKFKEVAEAYEVLSDKHKREIYDRYGRE
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                                          (00:03:03)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:04)

• Minimal score value: -3.8897
• Maximal score value: 1.0209
• Average score: -1.8227
• Total score value: -129.4103

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	1.0209
2	A	A	0.2759
3	S	A	0.0416
4	Y	A	0.0000
5	Y	A	0.3212
6	E	A	-0.8788
7	I	A	0.0061
8	L	A	0.0000
9	D	A	-0.5432
10	V	A	0.1781
11	P	A	-0.2015
12	R	A	-1.1831
13	S	A	-0.6699
14	A	A	-0.9053
15	S	A	-1.4975
16	A	A	-1.8585
17	D	A	-2.8786
18	D	A	-2.8289
19	I	A	0.0000
20	K	A	-3.4106
21	K	A	-3.8897
22	A	A	0.0000
23	Y	A	-2.6599
24	R	A	-2.9097
25	R	A	-2.5546
26	K	A	-1.3611
27	A	A	-1.1409
28	L	A	-0.3150
29	Q	A	-1.1050
30	W	A	-1.3596
31	H	A	-1.8742
32	P	A	-2.4397
33	D	A	-2.8118
34	K	A	-2.8385
35	N	A	-2.6269
36	P	A	-2.3163
37	D	A	-2.5616
38	N	A	-2.2213
39	K	A	-2.8996
40	E	A	-2.5030
41	F	A	-0.9173
42	A	A	0.0000
43	E	A	-2.4669
44	K	A	-2.5605
45	K	A	-2.3381
46	F	A	-1.6352
47	K	A	-3.1440
48	E	A	-3.4817
49	V	A	0.0000
50	A	A	-2.6044
51	E	A	-3.0858
52	A	A	-1.5837
53	Y	A	-1.9601
54	E	A	-2.8205
55	V	A	-2.1725
56	L	A	-1.8640
57	S	A	-2.3059
58	D	A	-3.0341
59	K	A	-3.6123
60	H	A	-2.9772
61	K	A	-3.1988
62	R	A	-3.2816
63	E	A	-3.3865
64	I	A	-1.8212
65	Y	A	-1.0475
66	D	A	-3.0201
67	R	A	-2.7610
68	Y	A	-1.0967
69	G	A	-2.0382
70	R	A	-3.0865
71	E	A	-2.7075