Project name: e21547bc633903

Chain sequence(s)	A: PRNRIRKPKKKIPKVTELEPYVDEKAKEYEENKEEFEKLLEENEKLEEQEKEEEREEAEREAAAELAARA
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                                          (00:02:15)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:16)

• Minimal score value: -7.289
• Maximal score value: 1.026
• Average score: -3.2684
• Total score value: -228.7902

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	P	A	-1.4944
2	R	A	-2.5395
3	N	A	-2.7522
4	R	A	-2.5626
5	I	A	-1.0802
6	R	A	-2.6261
7	K	A	-3.0734
8	P	A	-2.7346
9	K	A	-3.4794
10	K	A	-3.1432
11	K	A	-2.2997
12	I	A	0.2426
13	P	A	-0.2453
14	K	A	-0.8219
15	V	A	0.9234
16	T	A	-0.4122
17	E	A	-1.6098
18	L	A	-0.0994
19	E	A	-1.3343
20	P	A	-0.0310
21	Y	A	1.0260
22	V	A	-0.1368
23	D	A	-2.3822
24	E	A	-3.8954
25	K	A	-3.9742
26	A	A	-3.5209
27	K	A	-4.6571
28	E	A	-4.8465
29	Y	A	-4.0770
30	E	A	-4.7784
31	E	A	-4.4200
32	N	A	-4.0058
33	K	A	-4.4024
34	E	A	-4.2448
35	E	A	-3.8922
36	F	A	-2.9330
37	E	A	-3.6491
38	K	A	-3.9530
39	L	A	-2.3836
40	L	A	-2.0729
41	E	A	-3.8295
42	E	A	-3.7914
43	N	A	-3.9676
44	E	A	-4.9305
45	K	A	-4.6909
46	L	A	-3.7259
47	E	A	-5.7752
48	E	A	-6.2593
49	Q	A	-6.0158
50	E	A	-6.5887
51	K	A	-6.8636
52	E	A	-6.9672
53	E	A	-7.2890
54	E	A	-7.0570
55	R	A	-6.9322
56	E	A	-6.6217
57	E	A	-6.0288
58	A	A	-5.0091
59	E	A	-5.3409
60	R	A	-5.1345
61	E	A	-4.4058
62	A	A	-2.6465
63	A	A	-2.0479
64	A	A	-1.9288
65	E	A	-2.4296
66	L	A	-0.3550
67	A	A	-0.5085
68	A	A	-0.9294
69	R	A	-1.6938
70	A	A	-0.6536