Project name: b8267f5b1bc89e0

Chain sequence(s)	A: LKYLQIIFLHSNSIARVGVNDFCPTVPKMKKSLYSAISLFNNPVKYWEMQPATFRCVLSRMSVQLGNFGM
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]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:45)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:46)

• Minimal score value: -2.4568
• Maximal score value: 2.4377
• Average score: -0.2719
• Total score value: -19.0332

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	L	A	1.1404
2	K	A	-0.1893
3	Y	A	1.0172
4	L	A	1.4006
5	Q	A	0.7647
6	I	A	2.1623
7	I	A	1.9702
8	F	A	2.4377
9	L	A	0.8716
10	H	A	-0.5717
11	S	A	-1.0372
12	N	A	-1.5603
13	S	A	-1.1839
14	I	A	-1.0390
15	A	A	-1.3235
16	R	A	-2.3636
17	V	A	0.0000
18	G	A	-1.6403
19	V	A	-1.1109
20	N	A	-2.0018
21	D	A	-2.4568
22	F	A	-1.0711
23	C	A	0.0000
24	P	A	-1.1143
25	T	A	-0.8584
26	V	A	-0.4240
27	P	A	-0.7212
28	K	A	-1.7119
29	M	A	-0.8772
30	K	A	-2.4124
31	K	A	-2.2948
32	S	A	-1.1826
33	L	A	0.6517
34	Y	A	1.0879
35	S	A	0.0000
36	A	A	0.9915
37	I	A	0.0000
38	S	A	0.0000
39	L	A	0.0000
40	F	A	0.6773
41	N	A	-0.6655
42	N	A	0.0000
43	P	A	-0.8979
44	V	A	0.0000
45	K	A	-0.7268
46	Y	A	0.2631
47	W	A	0.4267
48	E	A	-1.7742
49	M	A	-1.1089
50	Q	A	-1.1273
51	P	A	-1.1292
52	A	A	-1.1038
53	T	A	0.0000
54	F	A	0.0000
55	R	A	-1.4893
56	C	A	-0.5538
57	V	A	0.0000
58	L	A	1.0164
59	S	A	-0.1208
60	R	A	-1.4230
61	M	A	0.1327
62	S	A	0.0445
63	V	A	0.1888
64	Q	A	-0.2949
65	L	A	0.3931
66	G	A	0.0000
67	N	A	0.7314
68	F	A	1.9015
69	G	A	0.9264
70	M	A	1.3307