Project name: e91d91ae4bef72f

Chain sequence(s)	A: LKHSISDYTEAEFLQLVTTIICNADTSSEEELVKLVTHFEEMTEHPSGSALIYYPKEGDDDSPSGIVNTVKQWRAANGKSGFKQ
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                                          (00:01:51)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:52)

• Minimal score value: -3.768
• Maximal score value: 0.9346
• Average score: -1.3292
• Total score value: -110.3211

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
3	L	A	0.2874
4	K	A	-1.6991
5	H	A	-1.7826
6	S	A	-1.5796
7	I	A	0.0000
8	S	A	-1.3676
9	D	A	-1.4299
10	Y	A	-1.4810
11	T	A	-1.9918
12	E	A	-2.6334
13	A	A	-1.6070
14	E	A	-2.1424
15	F	A	0.0000
16	L	A	-1.1307
17	Q	A	-1.6109
18	L	A	-0.6467
19	V	A	0.0000
20	T	A	-0.9910
21	T	A	-1.1080
22	I	A	0.0000
23	C	A	-0.7026
24	N	A	-1.7227
25	A	A	-1.5024
26	D	A	-2.4956
27	T	A	-1.7849
28	S	A	-1.4540
29	S	A	-1.9474
30	E	A	-2.9358
31	E	A	-2.9496
32	E	A	-2.6051
33	L	A	-1.4660
34	V	A	-0.2108
35	K	A	-1.6899
36	L	A	-0.7613
37	V	A	-0.3056
38	T	A	-0.7577
39	H	A	-1.4133
40	F	A	0.0000
41	E	A	-2.2733
42	E	A	-2.9505
43	M	A	0.0000
44	T	A	0.0000
45	E	A	-2.8484
46	H	A	-1.6472
47	P	A	-0.9035
48	S	A	-0.6480
49	G	A	-0.8922
50	S	A	0.2935
51	A	A	0.3472
52	L	A	0.0000
53	I	A	0.0000
54	Y	A	0.9346
55	Y	A	0.6705
56	P	A	-1.5928
57	K	A	-3.0546
58	E	A	-3.1993
59	G	A	-2.8210
60	D	A	-3.3766
61	D	A	-3.7680
62	D	A	-2.8503
63	S	A	-1.6766
64	P	A	-1.1900
65	S	A	-1.1662
66	G	A	0.0000
67	I	A	0.0000
68	V	A	0.0000
69	N	A	-2.5219
70	T	A	-1.9002
71	V	A	0.0000
72	K	A	-2.4801
73	Q	A	-2.1139
74	W	A	-1.5096
75	R	A	0.0000
76	A	A	-1.3257
77	A	A	-0.9877
78	N	A	-1.3718
79	G	A	-1.3256
80	K	A	-1.9001
81	S	A	-1.2801
82	G	A	-1.6746
83	F	A	-1.5490
84	K	A	-2.1659
85	Q	A	-1.9832