Project name: 78-1

Chain sequence(s)	A: VKELLKKYIELVNEALEKKKAGKYEEADKLWWEAFKVYQKIMDALGGKPIFEFAGIFWDDHDGIKYIEEEIEKLKKFI
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                                          (00:05:03)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:04)

• Minimal score value: -4.4956
• Maximal score value: 1.4914
• Average score: -1.4567
• Total score value: -113.6217

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	V	A	0.2930
2	K	A	-1.3875
3	E	A	-2.2765
4	L	A	-1.5611
5	L	A	0.0000
6	K	A	-2.1486
7	K	A	-2.7160
8	Y	A	0.0000
9	I	A	0.0000
10	E	A	-2.5165
11	L	A	-1.8594
12	V	A	0.0000
13	N	A	-2.4987
14	E	A	-2.9848
15	A	A	0.0000
16	L	A	0.0000
17	E	A	-3.5578
18	K	A	-3.6630
19	K	A	-3.1275
20	K	A	-2.8840
21	A	A	-1.9583
22	G	A	-2.1406
23	K	A	-3.1186
24	Y	A	-2.2908
25	E	A	-3.6015
26	E	A	-4.1382
27	A	A	0.0000
28	D	A	-3.4036
29	K	A	-3.0089
30	L	A	-2.1510
31	W	A	0.0000
32	W	A	-0.3746
33	E	A	-1.1563
34	A	A	0.0000
35	F	A	-0.1221
36	K	A	-1.1574
37	V	A	0.0000
38	Y	A	0.0000
39	Q	A	-1.9014
40	K	A	-2.0731
41	I	A	0.0000
42	M	A	-1.6162
43	D	A	-2.6482
44	A	A	-1.0160
45	L	A	-0.5452
46	G	A	-1.5232
47	G	A	-1.6741
48	K	A	-1.7953
49	P	A	-0.7332
50	I	A	1.2884
51	F	A	-0.3236
52	E	A	-1.3483
53	F	A	0.0000
54	A	A	0.0000
55	G	A	0.6592
56	I	A	1.4914
57	F	A	0.0826
58	W	A	0.0000
59	D	A	-2.1032
60	D	A	-2.2320
61	H	A	-2.4839
62	D	A	-2.4801
63	G	A	0.0000
64	I	A	-2.2900
65	K	A	-2.6597
66	Y	A	-1.7742
67	I	A	0.0000
68	E	A	-3.5209
69	E	A	-3.9872
70	E	A	-3.5083
71	I	A	0.0000
72	E	A	-4.4956
73	K	A	-3.9267
74	L	A	0.0000
75	K	A	-2.6045
76	K	A	-1.8294
77	F	A	0.6492
78	I	A	0.8113