Project name: e3244fc608127c3

Chain sequence(s)	A: SKLEEILKQIEEQYDFMKSWLGYEELKKEAEKAGEKAKEKFKELAEKKSLNEATKEVSREIYKDFVDLFEKQVKLDE
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                                        (00:00:03)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:09:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:09:06)

• Minimal score value: -5.2394
• Maximal score value: 0.3968
• Average score: -2.2231
• Total score value: -171.1793

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	S	A	-1.9201
2	K	A	-2.8403
3	L	A	-2.2268
4	E	A	-3.5900
5	E	A	-3.8891
6	I	A	-2.9905
7	L	A	-3.4513
8	K	A	-4.4637
9	Q	A	-4.0150
10	I	A	0.0000
11	E	A	-4.4343
12	E	A	-3.6611
13	Q	A	-1.9293
14	Y	A	0.0000
15	D	A	-2.7209
16	F	A	0.1795
17	M	A	0.0000
18	K	A	-1.9461
19	S	A	-0.2469
20	W	A	0.3391
21	L	A	0.0000
22	G	A	-1.1853
23	Y	A	-1.9898
24	E	A	-3.5187
25	E	A	-3.9222
26	L	A	0.0000
27	K	A	-4.0491
28	K	A	-4.7812
29	E	A	-4.2729
30	A	A	0.0000
31	E	A	-5.2394
32	K	A	-4.4503
33	A	A	-3.5738
34	G	A	0.0000
35	E	A	-4.6288
36	K	A	-4.3652
37	A	A	0.0000
38	K	A	-3.7966
39	E	A	-4.1649
40	K	A	-3.5513
41	F	A	0.0000
42	K	A	-3.6640
43	E	A	-4.0716
44	L	A	-3.4356
45	A	A	-3.0781
46	E	A	-3.7044
47	K	A	-3.7027
48	K	A	-3.2299
49	S	A	-2.0239
50	L	A	-1.7535
51	N	A	-2.1879
52	E	A	-2.5168
53	A	A	0.0000
54	T	A	-2.2341
55	K	A	-3.1830
56	E	A	-3.2087
57	V	A	0.0000
58	S	A	-2.1281
59	R	A	-2.9828
60	E	A	-2.5005
61	I	A	-0.9456
62	Y	A	-0.3043
63	K	A	-1.8336
64	D	A	-1.3252
65	F	A	0.3968
66	V	A	-0.1197
67	D	A	-1.7210
68	L	A	0.0000
69	F	A	0.2716
70	E	A	-1.3341
71	K	A	-1.5348
72	Q	A	-1.1955
73	V	A	-1.1924
74	K	A	-2.4108
75	L	A	-1.4699
76	D	A	-2.7725
77	E	A	-2.7864