Project name: e504eae7894b13b

Chain sequence(s)	A: KKFIKELLEQGYSKEETAIKVVQKFNVSVVVVTDDEEKAKEIAEYIKKNVPSATVVVYENLIVAKVESHEESTKVWELAQKAY
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                                          (00:01:44)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:45)

• Minimal score value: -4.3633
• Maximal score value: 0.7296
• Average score: -1.3984
• Total score value: -116.07

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	K	A	-2.7176
2	K	A	-2.9882
3	F	A	-1.9454
4	I	A	0.0000
5	K	A	-3.2183
6	E	A	-2.9684
7	L	A	-1.9696
8	L	A	-1.9603
9	E	A	-2.9310
10	Q	A	-2.4236
11	G	A	-1.5310
12	Y	A	-1.0671
13	S	A	-1.3599
14	K	A	-1.4503
15	E	A	-1.9661
16	E	A	-1.4869
17	T	A	0.0000
18	A	A	0.0000
19	I	A	0.5140
20	K	A	-0.8324
21	V	A	0.0000
22	V	A	-0.1055
23	Q	A	-1.5052
24	K	A	-1.8110
25	F	A	-0.7665
26	N	A	-1.6165
27	V	A	0.0000
28	S	A	-0.7730
29	V	A	0.0000
30	V	A	0.7296
31	V	A	0.0000
32	V	A	-0.7631
33	T	A	-1.8695
34	D	A	-2.8745
35	D	A	-3.7381
36	E	A	-4.2357
37	E	A	-4.3633
38	K	A	-3.7535
39	A	A	0.0000
40	K	A	-3.6628
41	E	A	-3.6354
42	I	A	0.0000
43	A	A	0.0000
44	E	A	-3.1804
45	Y	A	-1.8651
46	I	A	0.0000
47	K	A	-2.2819
48	K	A	-2.6539
49	N	A	-1.7217
50	V	A	0.0000
51	P	A	-1.3473
52	S	A	-1.1539
53	A	A	0.0000
54	T	A	-0.5027
55	V	A	-0.1662
56	V	A	0.1047
57	V	A	-0.9424
58	Y	A	0.0000
59	E	A	-2.7083
60	N	A	-2.6516
61	L	A	0.0000
62	I	A	0.0000
63	V	A	0.0000
64	A	A	0.0000
65	K	A	-1.1138
66	V	A	-1.7414
67	E	A	-2.5506
68	S	A	-2.3755
69	H	A	-2.5965
70	E	A	-3.0796
71	E	A	-2.6040
72	S	A	-2.0182
73	T	A	-1.7541
74	K	A	-2.2386
75	V	A	0.0000
76	W	A	-0.6759
77	E	A	-1.9087
78	L	A	0.0000
79	A	A	0.0000
80	Q	A	-1.0899
81	K	A	-1.7042
82	A	A	-0.7214
83	Y	A	0.2192