Project name: 7d657fcf8469b51

Chain sequence(s)	B: QRTESIIARALYYDLISGRKKRRQRRRPPQQRTESIIARALYYDLIS
Selected Chain(s)	B
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 B 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                                          (00:01:28)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:29)

• Minimal score value: -5.1849
• Maximal score value: 3.0481
• Average score: -0.6448
• Total score value: -30.3069

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	Q	B	-2.5390
2	R	B	-2.5000
3	T	B	-1.3231
4	E	B	-1.9853
5	S	B	-0.9740
6	I	B	0.7457
7	I	B	1.6105
8	A	B	0.8807
9	R	B	0.2586
10	A	B	1.0494
11	L	B	1.7545
12	Y	B	2.5938
13	Y	B	1.9914
14	D	B	0.1076
15	L	B	2.2011
16	I	B	2.6314
17	S	B	0.2692
18	G	B	-1.1921
19	R	B	-3.3816
20	K	B	-4.5469
21	K	B	-4.6569
22	R	B	-5.1849
23	R	B	-4.9021
24	Q	B	-5.1334
25	R	B	-4.6651
26	R	B	-4.5676
27	R	B	-3.6994
28	P	B	-2.4943
29	P	B	-2.6583
30	Q	B	-2.5773
31	Q	B	-2.6063
32	R	B	-2.4225
33	T	B	-1.3699
34	E	B	-1.8247
35	S	B	-0.6960
36	I	B	1.1165
37	I	B	1.5250
38	A	B	0.9622
39	R	B	0.6006
40	A	B	1.4817
41	L	B	2.6340
42	Y	B	2.9841
43	Y	B	2.4791
44	D	B	0.8097
45	L	B	2.6988
46	I	B	3.0481
47	S	B	1.1601