Project name: a29e8a860c62599

Chain sequence(s)	A: SLKELEEKKQELVEKINSQIDKVFELDSKFEKLKKEDKEEAKKAQKELEKALEELKKLCAELAKVARA
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]                                                (00:00:09)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:09)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:09)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:09)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:09)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:54)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:55)

• Minimal score value: -4.9816
• Maximal score value: 0.0
• Average score: -2.7026
• Total score value: -183.7748

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	-0.8826
2	L	A	-0.5703
3	K	A	-2.9914
4	E	A	-3.6131
5	L	A	-2.3762
6	E	A	-4.1728
7	E	A	-4.8440
8	K	A	-3.9787
9	K	A	-3.8291
10	Q	A	-4.0742
11	E	A	-4.1092
12	L	A	0.0000
13	V	A	-2.1745
14	E	A	-3.3586
15	K	A	-2.6052
16	I	A	0.0000
17	N	A	-2.5145
18	S	A	-2.2070
19	Q	A	0.0000
20	I	A	-1.2306
21	D	A	-2.2561
22	K	A	-1.9412
23	V	A	0.0000
24	F	A	-0.0719
25	E	A	-2.0458
26	L	A	-2.4038
27	D	A	-2.2682
28	S	A	-1.9653
29	K	A	-2.7196
30	F	A	-3.6562
31	E	A	-3.5753
32	K	A	-3.9943
33	L	A	-4.6575
34	K	A	-4.7875
35	K	A	-4.2816
36	E	A	-4.6327
37	D	A	-4.6563
38	K	A	-4.9816
39	E	A	-4.7972
40	E	A	-4.4075
41	A	A	0.0000
42	K	A	-4.8913
43	K	A	-4.6903
44	A	A	0.0000
45	Q	A	-4.3043
46	K	A	-4.5468
47	E	A	-4.3438
48	L	A	0.0000
49	E	A	-4.4269
50	K	A	-4.3721
51	A	A	0.0000
52	L	A	-2.7645
53	E	A	-4.0016
54	E	A	-3.3320
55	L	A	-2.7630
56	K	A	-3.3138
57	K	A	-3.2030
58	L	A	-1.9280
59	C	A	-1.3781
60	A	A	-1.6599
61	E	A	-1.9001
62	L	A	-1.6481
63	A	A	-1.5326
64	K	A	-2.3575
65	V	A	-1.6400
66	A	A	-1.6977
67	R	A	-2.2157
68	A	A	-1.2321