Project name: c625f025b2aa67f

Chain sequence(s)	A: EEKEKEEEERKKELEEEKKEEEEEEKAANKYKIEHKEEIEKLKEELTRDPNEVDWVPRPLRRQPSIRIKI
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                                          (00:02:40)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:41)

• Minimal score value: -7.58
• Maximal score value: 1.5153
• Average score: -3.6476
• Total score value: -255.3313

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	E	A	-4.4564
2	E	A	-5.4761
3	K	A	-5.6937
4	E	A	-6.3000
5	K	A	-6.8102
6	E	A	-6.9160
7	E	A	-6.7501
8	E	A	-6.8823
9	E	A	-6.8030
10	R	A	-6.4466
11	K	A	-6.3872
12	K	A	-6.6533
13	E	A	-6.3660
14	L	A	-5.1064
15	E	A	-6.3167
16	E	A	-6.9603
17	E	A	-6.8253
18	K	A	-6.9350
19	K	A	-7.3690
20	E	A	-7.5621
21	E	A	-7.5800
22	E	A	-7.2278
23	E	A	-6.8535
24	E	A	-6.4541
25	E	A	-5.9161
26	K	A	-5.1809
27	A	A	-3.5790
28	A	A	-2.8437
29	N	A	-3.0723
30	K	A	-2.7356
31	Y	A	-1.0881
32	K	A	-2.3255
33	I	A	-0.7763
34	E	A	-2.2980
35	H	A	-2.9198
36	K	A	-3.2952
37	E	A	-4.3918
38	E	A	-4.3602
39	I	A	-3.4700
40	E	A	-4.7816
41	K	A	-4.6823
42	L	A	-2.7768
43	K	A	-3.6923
44	E	A	-4.2189
45	E	A	-3.4896
46	L	A	-1.3330
47	T	A	-2.1857
48	R	A	-4.1695
49	D	A	-3.7912
50	P	A	-2.7139
51	N	A	-2.8195
52	E	A	-2.7199
53	V	A	-0.0444
54	D	A	-0.4740
55	W	A	1.1137
56	V	A	1.5153
57	P	A	-0.0902
58	R	A	-1.3631
59	P	A	-0.7444
60	L	A	-0.4971
61	R	A	-2.6239
62	R	A	-3.0697
63	Q	A	-2.3103
64	P	A	-1.2525
65	S	A	-0.2680
66	I	A	1.0746
67	R	A	-0.1301
68	I	A	1.2102
69	K	A	-0.0218
70	I	A	1.4022